smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1	22747908	XSQJVELSQZACTJ-FMIVXFBMSA-N	366.726	4.784	50	20	FJGD	
Cc1nc(C)c(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)o1	175621465	ZCBJUVIYHYVYPO-CYBMUJFWSA-N	364.776	4.763	50	20	FJGD	
C[C@@H](C1CC1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183477156	WLKAMNRQPGNOAY-VIFPVBQESA-N	372.359	4.539	50	20	FJGD	
C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	187437588	KJJQENLVNPCJFW-UHFFFAOYSA-N	372.359	4.707	50	20	FJGD	
CN(c1ccccn1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	188196214	RTUFQYBAUCMQPG-UHFFFAOYSA-N	374.356	4.564	50	20	FJGD	
CN(CC1CCC1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193228392	VTZALDQMTHAUSO-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
O=C(NN=Cc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl	727781032	APAJKVFCVQWVOE-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
O=C(NNc1ccccc1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	732575139	SRMHHLQHOBVWRN-YADHBBJMSA-N	358.441	4.512	50	20	FJGD	
CC[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccc(Cl)s1	734673037	ZAAZALOXBKJUIG-SNVBAGLBSA-N	363.792	4.596	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(CSCC)c2)cc1	741707169	LRMIFAMUZTWDKJ-PDGQHHTCSA-N	366.486	4.884	50	20	FJGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	748244120	JHNCJVNHYVGDLL-HNNXBMFYSA-N	354.450	4.791	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc2sccc2c1	748744705	VYNQQJODXQUDMT-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
CN1CCc2cc(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)ccc21	751525151	SZAJIJYQTNWIMZ-GXDHUFHOSA-N	357.240	4.776	50	20	FJGD	
CC(C)c1ccc2cc(C(=O)NNc3ccc(-c4ccccc4)nn3)[nH]c2c1	754469844	OWLUSFXWKUGEHH-UHFFFAOYSA-N	371.444	4.505	50	20	FJGD	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)/C(C#N)=C\c3ccccc3)o2)cc1C	785366504	PVZLYZSEJQQRGJ-BKAYVGFPSA-N	373.412	4.565	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1OC	794885179	OQXTWLQEUGYHCN-UNOMPAQXSA-N	372.424	4.822	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(-c2nc(C)co2)c1	799404623	WMJKBLPGWNOPSZ-UHFFFAOYSA-N	350.422	4.669	50	20	FJGD	
Cc1ccc(-n2cc(/C=C(/C#N)C(=O)c3ccoc3)c(C(C)(C)C)n2)cc1	806557436	CIEHHJKMLONNHE-BOPFTXTBSA-N	359.429	4.861	50	20	FJGD	
COC[C@H](C)[C@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	812861369	SHOWHFZSUOJESK-BHDSKKPTSA-N	369.836	4.763	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)Nc1cccc(C)c1C	814187137	AMKFLGCJKMOFRC-NKDOZWPPSA-N	360.457	4.942	50	20	FJGD	
C[C@@H](c1nc(C2CC2)no1)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844346710	PDKOKSAVGLTHHG-AWEZNQCLSA-N	365.594	4.742	50	20	FJGD	
CCn1c2ccccc2c2cc(C=NNC(=O)c3ccccc3F)ccc21	916291108	NZSFFCICZKUIPH-UHFFFAOYSA-N	359.404	4.717	50	20	FJGD	
COc1cc(O)ccc1/C=C(/C#N)c1ncc(C(F)(F)F)cc1Cl	1248492544	ZWMGDYIYYXIQCI-WMZJFQQLSA-N	354.715	4.532	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccn(C2CCCCC2)n1	1320838171	CYPCCPXDNIKRAD-UHFFFAOYSA-N	367.375	4.556	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)F)c1nc(-c2ccncc2)cs1	72031078	BEKHJUVKWLARQO-ZROIWOOFSA-N	355.369	4.871	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1	97637588	GVJUAJJKOLYHSF-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc2cnn(C(C)C)c2nc1Cl	128118697	QLQHDQDSKIIEMY-AWNIVKPZSA-N	370.865	4.825	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@]2(CCOC2)C1	192261879	FIDDYJQBJTWPPC-AWEZNQCLSA-N	372.359	4.988	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccncc2)n1	195396586	MMXWPQAUBFAJIY-BOPFTXTBSA-N	369.453	4.763	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=C/C=C/c1ccccc1	254411294	APRDLWTXAVMNSB-SFPPZFBDSA-N	356.425	4.548	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](c1ccccc1)[C@@H]1CCCO1	726537035	DPTVKUJMMHUUOR-AOIWGVFYSA-N	365.564	4.737	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc1C	741469016	ZLVZIBVUKBDLFO-UKTHLTGXSA-N	351.387	4.992	50	20	FJGD	
Cc1ccccc1C(=O)NNc1c(Cl)cc(Br)cc1Cl	742006215	OUVOOYVIKPELSH-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2csc(Cl)c2Cl)c1	761376427	LYTICEZIFDPHQG-WEVVVXLNSA-N	353.230	4.609	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(Cl)nc3Cl)c[nH]c2c1	761477345	NBZUCAFYPANCON-GHXNOFRVSA-N	356.212	4.968	50	20	FJGD	
O=C(/C=C/SCc1ccco1)NNc1c(Cl)cc(F)cc1Cl	767406901	KPCTUSKSLGPTSA-HWKANZROSA-N	361.225	4.616	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	770567404	SAHSKEGRDNQSFC-QCDXTXTGSA-N	360.175	4.550	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(Cl)cs1	779751151	GOWMGRGIYHPBAG-WMZJFQQLSA-N	367.257	4.918	50	20	FJGD	
CC[C@H]1CCCCC1=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	779767879	HXLSFTHLSQMHCG-ZDUSSCGKSA-N	371.506	4.692	50	20	FJGD	
Cc1cc(-n2cccn2)ccc1NC(=O)CCCC[C@H]1CCSS1	789295772	VKSMYEOFKACGEX-INIZCTEOSA-N	361.536	4.833	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)s1	790609222	KCBRUUFMXJIRSZ-DHZHZOJOSA-N	362.401	4.832	50	20	FJGD	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)ccn1	790719302	ZNQSWYWMWLYGLI-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)[C@H]3CCCOC3)ccc21	794885253	WAKCIJDHWUREMR-BOFQVRIASA-N	358.441	4.717	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	798344363	DOERVEBAZVBGBE-GHXNOFRVSA-N	363.248	4.625	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)cc1	817896298	SXRNBWCPGMZJOD-INIZCTEOSA-N	355.482	4.607	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)CC1	1776779128	UCNRUNVFFMCZJS-PDGQHHTCSA-N	357.425	4.997	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cccc4c3OCCO4)n2)cc1	117498846	SDOQMDLTBRJMMS-BOPFTXTBSA-N	360.438	4.954	50	20	FJGD	
Cc1cn2c(/C=C(\C#N)C(=O)c3ccc(Cl)cc3F)c(C)nc2s1	179616003	NUSIRIRHAWHTBT-VZUCSPMQSA-N	359.813	4.595	50	20	FJGD	
O=C(NC[C@@H]1CCCOC1)Nc1cccc(S(F)(F)(F)(F)F)c1	184414732	LIUMWKRXKWEJAG-JTQLQIEISA-N	360.348	4.892	50	20	FJGD	
C[C@H]1CCN2C(=O)N(c3cccc(S(F)(F)(F)(F)F)c3)C(=O)[C@H]2C1	277935067	DRGWLRQCEUUXKW-JOYOIKCWSA-N	370.343	4.911	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(c3ccccc3)CC2)c1C	726517050	VTBSTIQFBAHWGE-HKWRFOASSA-N	361.489	4.618	50	20	FJGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)c1nc(-c2ccccc2)no1	727975014	SAAWDNWGGMKJNC-LFIBNONCSA-N	356.410	4.924	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(c2ccccc2F)CC1	735988440	AHDURLUXYNVQEC-UHFFFAOYSA-N	373.642	4.961	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ccc(Cl)nc3)sc2c1	743817698	ASCVEWHENCFSLV-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Cl)c2cccnc12	748586058	URUPPVRORMIGJL-UHFFFAOYSA-N	351.837	4.524	50	20	FJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1ccc(C#N)c(Cl)c1	753303456	WFGPKKFNHYOBSX-CQSZACIVSA-N	370.884	4.733	50	20	FJGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	757605787	VGMPHYXHCCQZEE-CABCVRRESA-N	371.506	4.739	50	20	FJGD	
COc1cc(F)cc(NNC(=O)CCCc2csc3ccccc23)c1	759322560	STDBUHGLRZBQFA-UHFFFAOYSA-N	358.438	4.515	50	20	FJGD	
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)Nc1cccc2ccccc12	765503248	VSHJFPUADJUSQR-SDNWHVSQSA-N	367.330	4.799	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	771692377	BCSCCMALBVVFFD-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc(OC)c1C(C)C	781355845	GKNYKCAWIMQQQM-UHFFFAOYSA-N	370.493	4.882	50	20	FJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	786929600	SXIDHALKCOLJIV-XSFVSMFZSA-N	354.409	4.913	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc3ccccc3s2)cc1	787153654	FYUSDZJIPXLXJF-VMOJBDSFSA-N	362.454	4.694	50	20	FJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)c1nc2cc(F)ccc2s1	794875995	ZOXAOQVQTNYRJH-XFXZXTDPSA-N	364.380	4.824	50	20	FJGD	
CC(/C=C(/C#N)C(=O)c1ccc2ncccc2c1)=C\c1cccc([N+](=O)[O-])c1	794965520	VLCLZXYDTDIKEF-LGDLHNLVSA-N	369.380	4.879	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C2CC2)nc2onc(C)c12	812766589	SDMWBPXLNGZDNA-UHFFFAOYSA-N	364.449	4.597	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1	816485656	VHTBBHYBMPIOKP-UHFFFAOYSA-N	364.902	4.511	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(F)F)c2)c1C	915702062	UJHOMCUGXYOQES-YBEGLDIGSA-N	373.403	4.662	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)n1	920388279	VGEOSHFGOXCBGK-GDNBJRDFSA-N	364.426	4.952	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(Cl)cc(Cl)c2)n1	920388451	XRDJEHCQLZMXJZ-XCVCLJGOSA-N	353.230	4.691	50	20	FJGD	
Cc1ccc2[nH]c(C(=O)NNc3cccc(C(F)(F)F)c3)c(Cl)c2c1	1319369254	JTOUPAVGXLCMAV-UHFFFAOYSA-N	367.758	4.905	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(NC(C)=O)cc2)cc1	57547094	VBHWGELWVXBTLS-JPVKTXQWSA-N	361.445	4.704	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1csc(COc2ccc(Cl)cc2)n1	171019669	KRTMQMCJVURBMM-MDWZMJQESA-N	360.866	4.898	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)c1c(C)noc1C	175631973	LJVOQTPBFWTMJI-LLVKDONJSA-N	357.479	4.732	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(Cc2ccco2)c1C	211442017	BAQYJIYBGOAKPC-UNOMPAQXSA-N	359.429	4.600	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc(COc3ccccc3)n2)cc1	588467517	PBTRIKBDAYRPHH-BOPFTXTBSA-N	360.438	4.820	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1OCC	588581023	YZXRBVDGEYHCOC-ATVHPVEESA-N	359.429	4.881	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1F	588619164	LVSFLOSXCOIHTK-SXGWCWSVSA-N	361.401	4.894	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc2c(s1)CCCCCC2	727759647	MMIPMMPCKUENLM-UHFFFAOYSA-N	354.397	4.581	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccccc1OCc1ccccc1	728696300	QDOIASVYBOHQHM-KHPPLWFESA-N	366.848	4.597	50	20	FJGD	
C[C@H](CSc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F	731956359	WRBOGVBPNSDFDZ-GFCCVEGCSA-N	354.397	4.577	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)N(C)C3CCCCC3)s2)cc1	734304784	WLSLATNAZBWZDA-SFQUDFHCSA-N	365.502	4.817	50	20	FJGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cccc2cnccc12	744458158	FFIJPZHZIVFBSA-UHFFFAOYSA-N	353.425	4.586	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C/C=C\c1ccc(F)cc1	747742581	WQJNJDVMOXKUGC-MLFRHOTJSA-N	365.433	4.687	50	20	FJGD	
CCC[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	748703228	PJGCDGHXFGDQHA-QGZVFWFLSA-N	366.383	4.655	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc3ccccc3n2)c1C	750896117	NGBKHJUKXOERTF-MOSHPQCFSA-N	373.456	4.714	50	20	FJGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)c1nc(-c2ccccc2)no1	751514426	LYDUDJYBLXRNDS-UKTHLTGXSA-N	362.439	4.986	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1)c1ccccc1	755405425	ZIOSCDQRDJWKFR-ZENNRRHLSA-N	362.326	4.629	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(\C#N)c1nc2ccccc2n1C	759115713	GALNBIFLVLTQKS-GXDHUFHOSA-N	352.235	4.708	50	20	FJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)NCc1ccc(F)cc1F	761384350	HHLSSSCDOYSTOX-OQFOIZHKSA-N	373.211	4.556	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1O	762689489	SDUYBJOSYKHPOH-DJKKODMXSA-N	365.477	4.629	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)CCCCc1nc2ccccc2s1	771692468	CBFADDRVASXLOO-UHFFFAOYSA-N	357.454	4.600	50	20	FJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)ccc1Oc1ccncc1	787714781	AQGQDTIJBDZXIQ-LGMDPLHJSA-N	373.387	4.867	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2cccc(F)c2)cc1)c1ccccc1	788511964	ADSSQUUFUMAXPF-OAHLLOKOSA-N	350.393	4.723	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(N(C)C(C)C)nc2)c1C	790098641	DCGSRSNCWXNUIB-XDHOZWIPSA-N	364.493	4.544	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1	799705199	FXHILGCKTQPVFV-UHFFFAOYSA-N	371.227	4.617	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F	808247841	RSMVNYZUXNXESL-UXBLZVDNSA-N	360.590	4.548	50	20	FJGD	
C[C@H](N)[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189352	GQQOBDAOENJQKV-UWVGGRQHSA-N	359.364	4.545	50	20	FJGD	
N[C@H]1CCC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189996	KYUWMLNHKVZHJK-VHSXEESVSA-N	359.364	4.735	50	20	FJGD	
CN(Cc1ccccc1C(F)(F)F)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	898485858	DSGXLFDQXWWLEI-RQZCQDPDSA-N	361.323	4.610	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1	920067672	AXMKFOQIFBVUFP-OVCLIPMQSA-N	370.387	4.795	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1	920928774	COIKKOLOBHYYRH-UHFFFAOYSA-N	362.364	4.783	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1nc(-c2ccccc2)oc1C1CC1	1320011974	NFSRYIYAZKJIMP-UHFFFAOYSA-N	371.799	4.768	50	20	FJGD	
CC(C)(C)[C@@H](Br)c1nnc(-c2cc(-c3ccccc3)on2)o1	1345563593	WMWCTRJCQCDYCA-ZDUSSCGKSA-N	362.227	4.874	50	20	FJGD	
Cc1nc(NCc2cccc(S(F)(F)(F)(F)F)c2)ncc1C(=O)O	1777523381	RXNJSLLBGQRNTD-UHFFFAOYSA-N	369.315	4.753	50	20	FJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c2ccccc12	16441556	YUVOXMMTRTUCJR-KPKJPENVSA-N	351.749	4.519	50	20	FJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)c1	727401271	LVORZDUULDBQBW-PDGQHHTCSA-N	362.429	4.586	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(F)cc3F)c(F)c2)cc1	733362963	CGQIQOFNXIWCIO-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NNc1ccc(F)cc1F	733363264	SGBWCHJNAABNQR-VIFPVBQESA-N	359.203	4.594	50	20	FJGD	
Cc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c2[nH]ncc12	736995068	YWWSEFIFXSQHKZ-UHFFFAOYSA-N	371.444	4.615	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c[nH]nc3-c3ccccc3F)c[nH]c2c1	755698449	FMDYXLJLQFEDPD-ZROIWOOFSA-N	370.387	4.795	50	20	FJGD	
CC(CC1CCC1)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	758372841	VCJDLAAULVPXFB-UHFFFAOYSA-N	361.898	4.947	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)c1ccc(Cl)cc1F	761482000	ZVFBUNDKLKPRFY-UITAMQMPSA-N	355.583	4.971	50	20	FJGD	
Cc1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ncn1	762969059	RDAZLSJRULPLHG-UHFFFAOYSA-N	368.331	4.764	50	20	FJGD	
C[C@H]1COCCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762976349	UCMMNSASTOBGPI-JTQLQIEISA-N	360.348	4.987	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCCBr)c(Cl)c1	763114986	XASZXGSNBGUNKM-KAQJVSAMSA-N	370.674	4.636	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	768182122	QTUNPIWLHXDKCE-QQJLWGBUSA-N	357.256	4.745	50	20	FJGD	
CCOCc1cccc(NC(=O)NNc2c(Cl)cccc2Cl)c1	775590449	HJRNGQQIQGNCQB-UHFFFAOYSA-N	354.237	4.679	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cc(Cl)ccn1	778446801	DDEBRBLPUPDRQN-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1cc(C)ccc1F	793714224	YTMNMHHFSBAMOR-UHFFFAOYSA-N	373.815	4.762	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccccc1C(F)(F)F	806373241	XTXJBQOGTRTCIR-ZDUSSCGKSA-N	373.378	4.576	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1OC(C)C	812246325	JCTTXISMLSFJCI-ZROIWOOFSA-N	362.351	4.960	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)c1cc(C(F)(F)F)ccn1	812248102	DDWQBEYORDEHPV-YHYXMXQVSA-N	358.241	4.905	50	20	FJGD	
O=C(NN=C1CC2(CC2)C1)c1cc(-c2ccc(F)cc2)nc2ccccc12	814713599	DOXKMSKKAIIHLC-UHFFFAOYSA-N	359.404	4.701	50	20	FJGD	
O=C(NCCCNC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179661	QETGJDKNHJUWAQ-UHFFFAOYSA-N	359.364	4.608	50	20	FJGD	
Cc1ccc(NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	912596171	BQYFKPBNJVRJDG-UHFFFAOYSA-N	353.249	4.604	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cccs2)c1C	912664018	JNQLOUPDFXVMGH-PDGQHHTCSA-N	355.507	4.532	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)c1C	921259423	RTVZUYXPARISMY-MHWRWJLKSA-N	374.362	4.790	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cccc(F)c1	154582603	SQOMYQCLVGVCSD-UHFFFAOYSA-N	366.392	4.774	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CCC#N)c2ccccc2)c1C	156957785	OASNXVZSGMMMMT-GYZZIOIESA-N	374.488	4.583	50	20	FJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC[C@H](C)C3)cc12	254799501	XJORKODZVQSSQR-ZDUSSCGKSA-N	366.490	4.691	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2Cl)c1C	726430530	ZDIQJALFIUUPLD-NWRYFCBHSA-N	355.869	4.724	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnc3c(C)cccn23)cc1	741468724	KBRIXFDNTQLVRE-GYZOOYGHSA-N	358.445	4.702	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F	741474553	QLVQGFXOXPZPGT-BZPKPHBRSA-N	372.209	4.963	50	20	FJGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1ccc(C(F)(F)F)cc1	747589496	HVWSLCRBPCQJQL-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)c1nc(-c2ccccc2)no1	754679344	FCTJVTKHRJNXQL-MDWZMJQESA-N	357.291	4.541	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1	761393716	SWMDUIDOJAPUKW-YRNVUSSQSA-N	371.824	4.943	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Br)ccc1Cl	767717178	IKPQEDSYOFKISM-WDZFZDKYSA-N	350.599	4.794	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc2cnccc12)Cc1ccc(Cl)cc1	772818742	YIMUOMRYQCWBQY-AWEZNQCLSA-N	353.853	4.600	50	20	FJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1ccccc1OC(F)F	780006351	ZQVWXDWPTUZESE-YBEGLDIGSA-N	350.324	4.626	50	20	FJGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	780586813	GDZHNZDHKQJJET-QGZVFWFLSA-N	359.297	4.751	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)C3CCCC3)cs2)cc1	781555263	DOMYPWHNUXHLLQ-YBEGLDIGSA-N	352.459	4.697	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1)c1ccccc1	787145091	OUZLBWNKCKJACX-DYEBDLIZSA-N	367.452	4.923	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1c(C)cccc1C	787168614	KWJFXSVPYWLFJV-HIMLSBAZSA-N	361.401	4.704	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3)c2Cl)cc1	789147455	HRHAKHPWDNBUQM-WOJGMQOQSA-N	361.832	4.683	50	20	FJGD	
CC(=O)Nc1cccc([C@H](C)NCc2ccc(OCCCCl)cc2)c1	811473390	XNAYTYAAEQONLI-HNNXBMFYSA-N	360.885	4.504	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cscc1C(F)(F)F)c1ccccc1	811628444	XZTWBPMEIHSMFD-RQPMMQJISA-N	364.392	4.941	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](CCC#N)c1ccccc1	813111408	GSATZYXROYIKQQ-LJQANCHMSA-N	350.466	4.790	50	20	FJGD	
C[C@H]1[C@H](CO)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841684857	IIRCGJOZGLCBGE-QWRGUYRKSA-N	374.375	4.969	50	20	FJGD	
Cc1cc(C=NNC(=O)c2c[nH]c3ccccc23)c(C)n1C1CCCCC1	917024282	CTPJIZNUHULXFL-UHFFFAOYSA-N	362.477	4.855	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2)c2ccccc2n1	917533243	DSQNNDFHFHZKGG-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)c1ccccc1F	918711969	FCNKICCYNYYODZ-GXDHUFHOSA-N	364.401	4.651	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccccc2Oc2ccncc2)cc1Cl	1116942663	DJSMXWIJQJPGCN-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OC(F)(F)F)c1C	17699148	NZWNNNSMEOIKSD-XNTDXEJSSA-N	360.335	4.748	50	20	FJGD	
CN1/C(=C/C=C(/C#N)C(=O)Nc2ccccc2F)C(C)(C)c2ccccc21	108336020	ZYPWIKNESGKFPK-VFBGBMQPSA-N	361.420	4.526	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)OCCO2)c1ncc(C(F)(F)F)cc1Cl	125216958	MLCOAGKHLRKASG-VZUCSPMQSA-N	366.726	4.589	50	20	FJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1cccc2cnccc12	178494207	USVIEWZTOQPEHD-ZDUSSCGKSA-N	373.378	4.576	50	20	FJGD	
O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261314	SPUUZOHFXLTCQL-MWLCHTKSSA-N	360.348	4.627	50	20	FJGD	
CC[C@H](C)N1CC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	286260864	LAKMROXPWNLBPT-VIFPVBQESA-N	358.332	4.911	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(C)c1OC(F)F	301400590	XFWAQGDAVKIMNL-XNTDXEJSSA-N	353.372	4.856	50	20	FJGD	
COc1ccc(-c2ncc(C(=O)NNc3c(C)cc(C)cc3C)s2)cc1	743763581	QLQGVARRHMMTDA-UHFFFAOYSA-N	367.474	4.501	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	752771933	NQIXRVXINZFHCX-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2cccc(C#N)c2)c1C	764611311	AYSJIVZKVPTHID-KKJJZKEWSA-N	361.445	4.598	50	20	FJGD	
COc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1Cl	775432777	MJCJKWXGUCRMMH-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
CC1(C)C[C@H]1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981947	IADUOSDOISJCAP-VIFPVBQESA-N	365.389	4.668	50	20	FJGD	
CCCCn1ncc(NC(=O)NNc2ccc3ccccc3n2)c1C(C)C	792497359	VDAGVPIXSBEDNY-UHFFFAOYSA-N	366.469	4.503	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	794100066	YJTBBECLAAJHBR-ODLFYWEKSA-N	357.388	4.742	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)C2CCOCC2)cc1	794952945	JHGVVGWYKCXPNI-CJLVFECKSA-N	374.484	4.616	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c2ccccn12	794964996	MYRQBALDSWPGMC-QGOAFFKASA-N	366.424	4.796	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]2C[C@@H]21	796032405	JWAPGWNITXZLAF-SKDRFNHKSA-N	363.373	4.517	50	20	FJGD	
O=C(NCCN1CC=CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	797644878	FXYFZOCEQDGMNE-UHFFFAOYSA-N	371.375	4.727	50	20	FJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc2ccccc2o1	812434061	NDMHWSXLXWBORG-OAHLLOKOSA-N	358.397	4.504	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1nc(C2CCOCC2)cs1	812984761	SFKRZWCPHVZRHT-UHFFFAOYSA-N	374.510	4.618	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CC[C@H]1C1CCC1	814761021	LTORDPFFYBBZPP-AWEZNQCLSA-N	373.909	4.947	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1	817905008	WGPGGNOEBHEHCN-LLVKDONJSA-N	353.249	4.639	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@H](Sc1ccccc1)c1ccccc1	876993457	HEDRDMPPGXPMMH-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
Cc1ccc(NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1	888397757	KGJBYPBBBNRPNQ-UHFFFAOYSA-N	351.475	4.999	50	20	FJGD	
CC(=NNC(=O)c1ccccn1)c1ccc(-c2ccccc2Cl)s1	915110389	UIVSBOBSHFPKKZ-UHFFFAOYSA-N	355.850	4.618	50	20	FJGD	
N#C/C(=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)c1ccsc1	915989688	KYVSQJGJTKFQOQ-NTEUORMPSA-N	373.359	4.742	50	20	FJGD	
OCC1(NCc2cccc(S(F)(F)(F)(F)F)c2)CCSCC1	922177509	IJCMPJMATBEARL-UHFFFAOYSA-N	363.417	4.692	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1sc2ccccc2c1Cl	156009887	DEUCIYWSMKVUPP-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)NNc2ccc(Cl)cc2Cl)C2CC2)s1	175874681	CXWLFBYTPNPFDN-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
O=C(C[C@H]1CCCOC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	193474539	JFGJKWXERUUFGK-QMTHXVAHSA-N	367.820	4.661	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	213361915	RLJYZPHLQCDCJB-RAXLEYEMSA-N	361.228	4.938	50	20	FJGD	
C[C@@H](CCO)CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	296801664	LMAQYMMHIQKOGS-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
O=C(NN=Cc1csc(-c2cccs2)n1)c1ccc2ccccc2c1	728429639	LBZAZPGBWFYYDD-UHFFFAOYSA-N	363.467	4.789	50	20	FJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)Nc1ccc(F)c(Cl)c1	741851488	AUTDOQTYKBZRFP-YRNVUSSQSA-N	358.731	4.910	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)Nc1ccc(Oc2ccccc2)cc1	748995152	WLNTYAMFIZKHQG-QINSGFPZSA-N	371.421	4.958	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1cc(Cl)cc(Cl)c1	749892175	RMODYYMZXRBUSI-BCTAIJSYSA-N	354.139	4.767	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cnc(-c2cccs2)s1)c1ccccc1	751528754	KNGPCGQLYYLQLC-OAHLLOKOSA-N	355.488	4.516	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(-c3ncco3)ccc2C)cc1	759850598	SOUDMICQWOVLDV-LDADJPATSA-N	373.412	4.594	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)c1cc2ccccc2o1	761393783	UFHOAKWSQYSSCD-NTUHNPAUSA-N	350.736	4.887	50	20	FJGD	
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)c1c[nH]c2cc(F)ccc12	765503546	NJXFBMGJLDAMPO-UXBLZVDNSA-N	359.282	4.511	50	20	FJGD	
O=C(NNc1ncccc1Cl)Nc1ccc(C(F)(F)F)cc1Cl	770031714	ZYHAIVUJJVNEJF-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CC(C)n1cc2cc(NC(=O)NNc3c(F)cccc3Cl)ccc2n1	771160207	SBROXXUZKWVCFO-UHFFFAOYSA-N	361.808	4.558	50	20	FJGD	
CSc1ccc(C)c(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	775679151	OMMZWQGQPGNKCR-UHFFFAOYSA-N	369.939	4.689	50	20	FJGD	
C=C(CBr)CN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F	791491448	UDWVJJAKGSAHMR-NWDGAFQWSA-N	350.222	4.738	50	20	FJGD	
Cc1cc2sc(NC(=O)NNc3nc4ccccc4s3)nc2cc1F	797673620	IBYSJBCKTKNQAK-UHFFFAOYSA-N	373.438	4.502	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H](CCO)c1ccc(Cl)cc1	807845035	UQKSTQHOBWIUNX-HOTGVXAUSA-N	373.971	4.594	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)o1)c1cc(-c2ccco2)nc2ccccc12	814737169	YKICFRAKLBRQRI-UHFFFAOYSA-N	365.776	4.505	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc(-c3cnccn3)no2)c(C)n1C1CCCCC1	841738506	OHKMRSFEBIMOBK-GZTJUZNOSA-N	374.448	4.514	50	20	FJGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2ccccc2Br)s1	915974048	IIWUWRAUDCGWNQ-NSHDSACASA-N	365.296	4.674	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1319722859	BFPRYHWZNVAKCH-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)NC1CCCCC1	4524301	DKASDKMUOGBVTI-HKWRFOASSA-N	360.457	4.621	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	8089862	IPHBKRBUUZINJH-OQLLNIDSSA-N	361.367	4.689	50	20	FJGD	
CC(=O)Nc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1Cl	25442437	KGGMQUYMEQVBNN-CYBMUJFWSA-N	372.943	4.951	50	20	FJGD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184418100	FOESSJNMFFWSNX-GXFFZTMASA-N	374.375	4.969	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1OC(F)F	588424684	HNNJNPMHPXAYND-POHAHGRESA-N	369.776	4.801	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1OCC	743761681	MIIHJTQGOUCMCN-UHFFFAOYSA-N	356.466	4.556	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1OCC	743763296	FSDRSGQOJCQWTO-UHFFFAOYSA-N	370.493	4.946	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(SC(F)(F)F)cc1	746698658	JTLFWACWNGLDAR-UHFFFAOYSA-N	364.751	4.848	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccccc3Br)oc12	748065545	FAWXQJVVLZQLPE-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc2ccccc2s1	748754681	XDDJQQZEFNGOGB-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	751689175	MEXPXHLFKIHXBG-CPNJWEJPSA-N	373.431	4.620	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(C)cc1Cl	757598281	QPEOKEYJIBPZHI-UHFFFAOYSA-N	367.674	4.730	50	20	FJGD	
C=CCCC(C)=NNC(=O)c1ccc(COc2ccc(OCC)cc2)cc1	758073488	LIXFTHWNYWSSNG-UHFFFAOYSA-N	366.461	4.736	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1)c1ccccc1	761392819	PTNPCDZRVLBPGT-GJSJWPQCSA-N	350.365	4.551	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2sc3ccccc3c2s1	768244659	YOAHUQPCEMMJHS-UHFFFAOYSA-N	369.427	4.781	50	20	FJGD	
C[C@@H]1COc2ccccc2CN1C(=O)CCCC[C@@H]1CCSS1	782737651	ZDZMJNLBFQPNOG-GDBMZVCRSA-N	351.537	4.510	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)C(=O)c1ccccc1OC(F)F	794710818	JFMXOPMRKLBPIN-OFNQYZMLSA-N	361.294	4.912	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(COCCOC)cc2)cc1	809147419	NYGVJVCUYBVPKK-PXLXIMEGSA-N	363.457	4.592	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1	830838284	QVVHZAFNRUWSOM-GIDUJCDVSA-N	363.408	4.906	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@@H]1N	841178686	GMLJGFRLGJPDLT-CABZTGNLSA-N	359.364	4.545	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc3cccc(OC)c3o2)c1C	915857184	MSEMSHRICMDWOZ-SFQUDFHCSA-N	360.413	4.836	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)C(=O)c1ccccc1F	915986790	DGDDQMCLGPYFLP-AQTBWJFISA-N	358.372	4.590	50	20	FJGD	
C[C@H]1CCC[C@@H](N(C)CCP(=O)(c2ccccc2)c2ccccc2)C1	917100442	OFFNDNPASIXRJP-VQTJNVASSA-N	355.462	4.511	50	20	FJGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)c2ccccc2)cc1	920355900	HNJDBRPJAQRXJG-UHFFFAOYSA-N	350.462	4.770	50	20	FJGD	
N#C/C(=C\c1cccc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	7001084	SNHKWBHRVXIKHY-XYOKQWHBSA-N	367.861	4.993	50	20	FJGD	
Cc1cc(NNC(=O)c2sccc2C(C)C)ccc1Br	114888075	HVJHMWKXYCAQCC-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)Oc1cccc(F)c1	175633531	FCXMJSDSWRRVRW-CYBMUJFWSA-N	372.465	4.930	50	20	FJGD	
C[C@H](C#N)Oc1ccccc1NC(=O)CCCC[C@H]1CCSS1	180354030	UMGDBDNKHFLWHF-KGLIPLIRSA-N	350.509	4.630	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(Br)ccc1F	211477103	BKNHTYWNDGNPPI-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccccc2OC(F)F)c(C)c1	211525695	DCZOPQXVMAVPTQ-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1OC	730148686	JQQITMSJYZLSCC-MDWZMJQESA-N	354.406	4.907	50	20	FJGD	
Cc1cn2c(/C=C(\C#N)c3nc4cc(F)ccc4s3)c(C)nc2s1	730151071	PTWOTTAJQHWKRR-VZUCSPMQSA-N	354.435	4.826	50	20	FJGD	
O=C(NCc1coc2ccccc12)NNc1ccc(Cl)cc1Cl	734071552	HFBLWSVTMCZZLN-UHFFFAOYSA-N	350.205	4.566	50	20	FJGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1csc2ccccc12	734668956	JSXGHLLGQNXJFR-VIFPVBQESA-N	365.380	4.706	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(C)c1	743762513	ZNIDRMPQLHYFPU-UHFFFAOYSA-N	372.472	4.648	50	20	FJGD	
CCCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC	747032555	HMTIQPJVKABMKU-NBVRZTHBSA-N	364.445	4.810	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1OCc1ccc(F)cc1	748561475	SLNPPOGWPQAZRU-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
CC(C)(C)C(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	752515510	CTHLWHUUXASBBF-VBKFSLOCSA-N	350.393	4.600	50	20	FJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)oc2c(C)cccc12	754149194	UBKWAZHKVISHGA-UHFFFAOYSA-N	366.314	4.964	50	20	FJGD	
CCOc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1OC	769932792	ZMFHUEGHOJZKIB-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
CC(C)n1ncc2ccc(NC(=O)NNc3c(F)cccc3Cl)cc21	771133317	HCNXPTJNKGEORZ-UHFFFAOYSA-N	361.808	4.558	50	20	FJGD	
C=CCC[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1	779010257	KGFBCGANYQZVAO-QGZVFWFLSA-N	364.367	4.778	50	20	FJGD	
C[C@H](C(=O)NNc1cc(Cl)cc(Cl)c1)c1cn(C)c2ccccc12	791717092	PKHPGZPYLWJCEM-NSHDSACASA-N	362.260	4.732	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)C(=O)C1CCOCC1	794953998	QJSIZABMVZJQOW-SDNWHVSQSA-N	357.862	4.971	50	20	FJGD	
Cc1nc(-c2ccccc2NC(=O)NNc2ccccc2Cl)cs1	797668757	ZXPKIOIGAWZYNA-UHFFFAOYSA-N	358.854	4.921	50	20	FJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCCSSC	803480565	NGCWZQKXQAUUOB-UHFFFAOYSA-N	368.593	4.773	50	20	FJGD	
CC(C)(C)c1csc(CNCc2ccc(OCCCCl)cc2)n1	811478282	DLLXBMRQPPUULI-UHFFFAOYSA-N	352.931	4.738	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2cscc2C(F)(F)F)cc1	811632929	GIKBEJJQNRPRHF-UHFFFAOYSA-N	354.397	4.828	50	20	FJGD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NNc2ccccc2Oc2ccccc2)C1(C)C	846462857	YBJRHUSXWISEEP-WBVHZDCISA-N	366.461	4.563	50	20	FJGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)s1	914867361	UQCYTKWNFUUZLO-XFFZJAGNSA-N	358.271	4.631	50	20	FJGD	
N#C/C(=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)c1ccsc1	915989690	KYVSQJGJTKFQOQ-ZROIWOOFSA-N	373.359	4.742	50	20	FJGD	
CCOc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	916712352	JFNRHIMXEYVVML-UHFFFAOYSA-N	361.445	4.829	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccc3ccccc3n2)cc(Cl)c1OC	917145283	XRHILDWVHVJIRZ-DHDCSXOGSA-N	350.805	4.970	50	20	FJGD	
COc1ccc(C(=O)NN=C(C)c2ccc(-c3ccccc3OC)cc2)cc1	1323135725	KRTUKFFMCHQJPY-UHFFFAOYSA-N	374.440	4.525	50	20	FJGD	
CC[C@H](CCC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776710646	AGBBUZRBCRYBMO-MRXNPFEDSA-N	351.563	4.804	50	20	FJGD	
CCOC(=O)/C(C#N)=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	7144051	LQUOMGBJNPQXQJ-UKTHLTGXSA-N	372.764	4.511	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	7211137	VYSIQSNOZSFDBI-FOWTUZBSSA-N	358.353	4.953	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CC#N)cc2)c1C	26384096	OMCPXNUULHNHSO-XSFVSMFZSA-N	360.461	4.517	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1ccc(SC(F)F)cc1	127270692	GXUCTZVQISQTBT-UHFFFAOYSA-N	373.222	4.521	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cn2)oc2ccc(Cl)cc12	131956771	NORAMPADJYKZEQ-UHFFFAOYSA-N	369.730	4.565	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(-c2nc3ccccc3s2)s1	153299250	QFJCROINDGWYJN-UHFFFAOYSA-N	369.446	4.921	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCOc2ccccc21	175638809	LMZURZUQDJEWNW-GOSISDBHSA-N	366.486	4.889	50	20	FJGD	
CC(C)(C)OCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	182328822	FFJFPDMRQRPQQH-GFCCVEGCSA-N	355.809	4.660	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12	214069024	ZXUSFQXWCDEXFR-VKAVYKQESA-N	372.424	4.793	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCCSc1ccccc1	726198445	LKUFWKPDAOOETD-MRXNPFEDSA-N	355.594	4.999	50	20	FJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1cccc(Cl)c1	739689582	MIIDVNJSNAXWIQ-UHFFFAOYSA-N	370.758	4.681	50	20	FJGD	
O=C(NN=Cc1ccc(F)c(Br)c1)c1cccc2ccccc12	741462936	SGRIIKXOGBNUMT-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1cc(-c2ccco2)on1	748844536	RQWHWHFARCYCCZ-ZDUSSCGKSA-N	353.465	4.692	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cccc(COc2cccc(F)c2)c1	749276581	XXMFERGDZIGFQV-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
COc1ccc(C[C@@H](C)CNC(=O)CCCC[C@H]2CCSS2)cc1	759870468	UKTMXDABJIEIIM-QAPCUYQASA-N	367.580	4.704	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)no1	767917198	OPHZFEUCAWXIAA-GXDHUFHOSA-N	357.291	4.699	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)C(=O)c1cc(F)cc(F)c1	772177648	XZNQFOVWOYVEMV-QQDOKKFESA-N	355.237	4.913	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)ccc1O	780373978	IRTVJTJPMGXRRT-RIYZIHGNSA-N	361.319	4.600	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	780374209	KZEFBVVAJSNUAF-AUWJEWJLSA-N	360.291	4.712	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(SC2CCCC2)cc1	786917327	JEGPFFHCDJXCIY-DTQAZKPQSA-N	364.470	4.973	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c(C)oc3ccccc23)cc1	787155582	TWQBFIQXEBNQOB-MTOJCTJASA-N	360.413	4.534	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1	788189281	GHOXWXARRJSIIT-UHFFFAOYSA-N	374.412	4.767	50	20	FJGD	
C=C(CBr)COC(=O)c1csc(-c2cccc(Cl)c2)n1	795400636	LWIMAEZZJDWMLS-UHFFFAOYSA-N	372.671	4.571	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl	811626199	DMDXFQBCUWWWGX-VZUCSPMQSA-N	366.726	4.610	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nc(-c2ccco2)sc1C	812767086	CLHDBRGTQCWSPM-UHFFFAOYSA-N	355.463	4.900	50	20	FJGD	
Cc1cccc(O)c1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	813506408	WCWHWZLSGCIMPX-UNOMPAQXSA-N	365.477	4.711	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1OCC(C)C	915849415	YYGMGLRKLFCAKB-BOPFTXTBSA-N	361.445	4.681	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@H]1c1cccc2ccccc12	178488626	OUHIKDGAXNRDOY-LEWJYISDSA-N	353.425	4.635	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2ccccc2)s1	179037586	IHCSFTBWASGSMJ-UHFFFAOYSA-N	360.385	4.773	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc(Cl)c1O	180571304	OTXKRJCUHZXCMD-VGOFMYFVSA-N	358.781	4.725	50	20	FJGD	
CN1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184413222	JGESJWFWMAMJTN-UHFFFAOYSA-N	359.364	4.513	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cn(CCC#N)nc2-c2ccncc2)n1	278669979	HSVYFDGLKPOVDN-MHWRWJLKSA-N	374.473	4.503	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(-c2ccccc2)[nH]1	732263830	VYLMKDNJPVMCFS-UHFFFAOYSA-N	362.820	4.640	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)c(Br)c3)[nH]c12	735620400	YZEUINLZKCHCRN-KPKJPENVSA-N	356.198	4.837	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	741473121	GDXWWJVJUQOLKL-NFBGKYEXSA-N	370.456	4.847	50	20	FJGD	
COc1ccc([C@@H](C)CC(=O)NNc2ccnc3cc(Cl)ccc23)cc1	750233916	WPAJLVNFCNWJOM-ZDUSSCGKSA-N	369.852	4.534	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccccc2Nc2ccccc2)cc1Cl	753323203	ZEVGEORRXQLIOZ-UHFFFAOYSA-N	362.820	4.712	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccc(-n2ccnc2)cc1	754494540	FUTGAXMVCCFLLI-KRWDZBQOSA-N	362.520	4.630	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2Br)s1	767713192	JHUSYFDYWPDTSZ-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1Cl)c1cn(C)c2ccccc12	773456348	TXPCWAGMPYSVOI-LLVKDONJSA-N	362.260	4.732	50	20	FJGD	
O=C(CC1CC(c2ccccc2)C1)NNc1ccccc1OC(F)(F)F	798994745	SWJUQSUEUGDKDX-UHFFFAOYSA-N	364.367	4.612	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2cccc3cccnc23)cc1	807033372	NQECWUBQHRNZHY-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccnc1SC(F)F	812768881	LOAFRNIJBRKGMG-UHFFFAOYSA-N	351.422	4.585	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@@H]1N	841179515	OTXNICFZJBEJIF-GWCFXTLKSA-N	373.391	4.935	50	20	FJGD	
O=C(CC(F)(F)F)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	917551049	PTIPDETVDPZXHG-UHFFFAOYSA-N	365.138	4.656	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc1OCC	920990854	GKJGEZKTYNCCER-SFQUDFHCSA-N	361.401	4.598	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1	1338071387	HPCCMEIKUQXFQQ-FCEWJHQRSA-N	364.327	4.724	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(F)ccc2sc(C(=O)O)cc12	1777465187	SXPALVQBNWVZCS-WQLSENKSSA-N	365.385	4.837	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCCCCCC3)s2)cc1	7754393	AVJDHYBYKASUQT-UHFFFAOYSA-N	371.506	4.836	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC(F)F)c1C	24021856	KKFJDRCEOAGOGY-LFIBNONCSA-N	373.403	4.662	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)c(-c2cccnc2)n1	63277601	UQJSAONFHKERHW-PDGQHHTCSA-N	370.456	4.569	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CSCC(F)(F)F	90467834	VXKOYTNYRHVQRI-UHFFFAOYSA-N	362.442	4.619	50	20	FJGD	
Cc1cc(OC(F)F)c(C(=O)NNc2c(Cl)cccc2Cl)s1	133364826	MMYNWWADGAXCDZ-UHFFFAOYSA-N	367.204	4.722	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCO[C@H](c2ccccc2)C1	152966550	KFOAQRFNDNSTQV-KURKYZTESA-N	365.564	4.737	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)c1ccc(Br)s1	171670834	KYWLEHXMHLZHRU-SOFGYWHQSA-N	354.175	4.579	50	20	FJGD	
C[C@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)c1cnn(C)c1	283874988	AIISVNPQIDHBLX-INIZCTEOSA-N	359.590	4.793	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(C)cc2)c1Cl	726430576	UOQAWHZWLDIZSQ-XGHPXPSOSA-N	355.869	4.724	50	20	FJGD	
CCn1cc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cn1	732528882	CNLQGWSGAZGHFE-JAIQZWGSSA-N	372.472	4.717	50	20	FJGD	
CCCCCOc1ccc(C(=O)NNc2nccc3sccc23)cc1	734248500	UPJNBOGLVLVXSC-UHFFFAOYSA-N	355.463	4.622	50	20	FJGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccnc2cc(Cl)ccc12	743296598	HVKDBPILLWPOPN-CYBMUJFWSA-N	371.843	4.739	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3oc(C(C)C)nc3C#N)c(Cl)c12	746521503	FCVOOMROXCWQHT-UHFFFAOYSA-N	374.853	4.603	50	20	FJGD	
CC(C)(C(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl)c1ccccc1	753700960	PAOSIVPDIUIBBS-UHFFFAOYSA-N	368.786	4.787	50	20	FJGD	
CCCCN(C)S(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762456996	OGHQFUUKHPXFFK-UHFFFAOYSA-N	368.393	4.733	50	20	FJGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1cccc(C(F)(F)F)c1	780375244	UUBQYFAZAAQBAY-YBEGLDIGSA-N	367.330	4.681	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	782370086	SBLACRQQCIUORX-TWGQIWQCSA-N	374.149	4.536	50	20	FJGD	
Cc1cccc(NNC(=O)c2sc3ccccc3c2Br)c1	810044253	PWJPNVRHSUNNQT-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCCCCl)cc1)C2	811691378	OEMUIEWQBWVONG-YBEGLDIGSA-N	372.848	4.534	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cn1	812245786	XTZWWRYACDJCND-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cnc2c(F)ccc(F)c2c1	815817894	NJLZPVRUMPSXSU-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	817880093	VXEMFDJRCCGWEC-IAGOWNOFSA-N	365.260	4.639	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2ccc(OCC(F)(F)F)cc2)cc1	837055387	FPBNMVHLMCNMNI-UHFFFAOYSA-N	352.356	4.508	50	20	FJGD	
CN(C)Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)c(F)c1	839822048	CNXBLGPPJXDQKE-CQSZACIVSA-N	356.532	4.540	50	20	FJGD	
N#C/C=C(\c1ccc(Br)c(Cl)c1)N1CCC(CC#N)CC1	851918921	FZIJWWLSQRZVSC-AYSLTRBKSA-N	364.674	4.593	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1ccc(Br)s1	1116141750	GPKNJRNFUYWBSE-ZROIWOOFSA-N	358.260	4.789	50	20	FJGD	
O=P(CCN1CC[C@@H]2CCCC[C@@H]2C1)(c1ccccc1)c1ccccc1	1340736614	ZQXFVLXEETYZNG-LEWJYISDSA-N	367.473	4.513	50	20	FJGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)c1cccc(Cl)c1	11333649	SXNYSJAFWCZXAT-BJMVGYQFSA-N	352.640	4.954	50	20	FJGD	
C=CCN(Cc1cccs1)C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	71817211	VCXRYSWLACWDDK-UYRXBGFRSA-N	367.518	4.698	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc(C)c3)c(F)c2)cc1	109427548	FREXRRAILQXIOR-UHFFFAOYSA-N	350.393	4.567	50	20	FJGD	
O=C(NNc1ccccc1Br)c1ccc(Oc2ccccc2)o1	153519330	WLNPXGHPBUMBQF-UHFFFAOYSA-N	373.206	4.591	50	20	FJGD	
CC(C)c1nnc2ccc(NC(=O)CCCC[C@H]3CCSS3)cn12	189087213	HFWQENGCDUWFKY-AWEZNQCLSA-N	364.540	4.505	50	20	FJGD	
CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192258289	VIADJESSSQCFJJ-JTQLQIEISA-N	360.348	4.844	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)C(=O)NC1CCCCC1	209226522	LVGROFPEWHKIEI-RAXLEYEMSA-N	354.397	4.654	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1	750795418	HOTCDETYZSUZBM-JMIUGGIZSA-N	374.419	4.620	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1Cl	753302538	IUTUTBLSNYMNAI-MOPGFXCFSA-N	361.832	4.612	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(F)(F)C1(O)CCC1	762726092	XWSYHPKZDVVRAS-UHFFFAOYSA-N	367.286	4.833	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)c1ccc([N+](=O)[O-])cc1Br	765613878	OMWDWXMZDNIXDI-XVNBXDOJSA-N	370.615	4.531	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Cl)cc2)c(Cl)c1	771737042	AKYMADHTXBYPKE-UHFFFAOYSA-N	353.249	4.929	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1coc(-c2ccccc2Cl)n1	776482685	YZRUELOMRWSJBZ-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1C[C@H]1c1ccc2ccccc2c1	777465331	KPRCOKYGTUWAHL-VQTJNVASSA-N	353.425	4.635	50	20	FJGD	
CC1=CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	778018614	HMVUYLUYSSFPIP-UHFFFAOYSA-N	363.373	4.685	50	20	FJGD	
C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782981002	MUGGEVJPCDGZKV-NXEZZACHSA-N	365.389	4.763	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1c[nH]cc1-c1ccccc1F	787578385	SXVCMPOYECTLOQ-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
COc1cc(NNC(=O)c2sc(-c3ccccc3)nc2C)ccc1Cl	790168389	LPZRQTMBNHJVQH-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1cnc2ccccc2n1	790228159	QLVVJTWDDYYBND-MFOYZWKCSA-N	371.831	4.592	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)Nc1cc(Cl)ccc1Cl	794932184	UMWKJWJGNZSOCH-YVMONPNESA-N	369.154	4.523	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	799404935	KWQLCWMESWUXEE-UHFFFAOYSA-N	364.449	4.978	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Cc1csc(-c2cccc(F)c2)n1	799757628	ZXANRJSOGUOXOK-UHFFFAOYSA-N	369.465	4.506	50	20	FJGD	
CCn1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	806401757	NXEDEWLVLJLMEY-UHFFFAOYSA-N	370.347	4.882	50	20	FJGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)NCc1cccc(Cl)c1	811628355	VFIYCPHPYCPZJB-VZUCSPMQSA-N	370.783	4.644	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H]2NCC[C@H]2C1	841179501	OOQYYZJQCMCJHV-GWCFXTLKSA-N	371.375	4.560	50	20	FJGD	
CCC(C[C@H](C)CC)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	915957883	ZJCWZEDUABAKCG-CYBMUJFWSA-N	373.522	4.938	50	20	FJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)Nc1ccccc1	915999256	YHDVQGWVMDODGM-UHFFFAOYSA-N	370.522	4.957	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1)c1nc(-c2ccccc2)no1	916132295	XOWIDJKVYSDMIE-ZROIWOOFSA-N	352.191	4.563	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cnc(-c4ccccc4)nc3)n2)cc1	917142953	SAHUSZMYINRYDU-ODLFYWEKSA-N	365.396	4.566	50	20	FJGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)c2ccccc2Cl)CC1	1326943753	KJASIDFWMVFCEJ-UHFFFAOYSA-N	369.896	4.500	50	20	FJGD	
CC(C)[C@H](C(=O)O)[C@H](C)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776301247	WJFPWBULIZHJOW-YJBOKZPZSA-N	365.590	4.906	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1C	11289717	FXNJGWFMUROLED-UKTHLTGXSA-N	361.228	4.856	50	20	FJGD	
Cc1ccc(NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	75497198	MCRBSQYIDDKDCR-UHFFFAOYSA-N	360.417	4.520	50	20	FJGD	
Cc1cc(NNC(=O)c2cc(Cl)ccc2Cl)ccc1Br	114889183	IWTVCDKHSXGYPM-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1	125065361	QITYZFKXDYNGRW-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1c[nH]cc1-c1ccc(F)cc1	175218826	UBNRKZPGTRFKKO-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccc(Cl)c(F)c1	175434844	WCWUOYVMBJSXCL-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)c1ccccc1OC(F)F	588384685	BDQNTJVQDZGFGM-XFXZXTDPSA-N	365.282	4.679	50	20	FJGD	
CCN(C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CC1	728387515	ATTLQPJIKPTZPJ-LBPRGKRZSA-N	352.809	4.922	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCC(c2ccccc2)CC1	742546534	QGJIJMZZNODVPU-UHFFFAOYSA-N	373.840	4.665	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1coc2ccccc12	753170128	TYOXTCHMQYGRJK-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1C	772178086	YIYADVPPKGKRHS-OVCLIPMQSA-N	370.836	4.520	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	776725110	CVDFFNYTVDOFGO-MXFUOJGSSA-N	358.182	4.573	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(Oc2ccccc2)cc1	777465671	WITMVDKMYHTIDB-UHFFFAOYSA-N	355.397	4.784	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2sccc2Cl)n1	779797924	HFVKITPNQHVHFU-RMKNXTFCSA-N	351.884	4.701	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccccc1CCC(F)(F)F	781096957	DFSMIIFRNVIELG-GFCCVEGCSA-N	366.221	4.930	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1csc(-c2cccs2)n1	785366457	PQESYCVUZZWWIH-ZROIWOOFSA-N	352.440	4.522	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl	787145019	OEOABKNBLABVGM-PWDRSIHYSA-N	370.239	4.649	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1	796985416	XIPCKLLFOAUQBN-RQZCQDPDSA-N	364.792	4.557	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1Cl	806565542	OISQEYZTTLYQJH-YCRREMRBSA-N	374.149	4.886	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC[C@@H]2C(C)(C)C#N)cc1	814735576	DNIHCMOTRYEAET-SFHVURJKSA-N	355.482	4.547	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3ccc(F)c(Cl)c3)oc12	915848617	DMZSZOQIJHWVKN-WQLSENKSSA-N	370.767	4.780	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(Cl)c1	920068446	OIXFKBJZHMWZOC-RIYZIHGNSA-N	350.805	4.928	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccnc2cc(Cl)ccc12	1116382864	IFPJUOTVFQFGFP-UHFFFAOYSA-N	365.820	4.954	50	20	FJGD	
O=C(NN=Cc1c[nH]nc1-c1ccc(Cl)cc1)c1cccc2ccccc12	1319587686	GUNFBZGQCKJPTB-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1	20670587	PVYXVDVZOPHARA-FRKPEAEDSA-N	363.442	4.652	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2cccc(Cl)c2o1	134264678	JCXLDWDPEXYWGK-UHFFFAOYSA-N	370.714	4.742	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccccc1-c1ncc(-c2ccccc2)o1	154463267	ZNMZKRIMOWUHMU-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	155340764	OUGVZPXYTPZOCQ-UHFFFAOYSA-N	359.454	4.607	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2cnc3ccccc3n2)c(OC(F)F)cc1C	191361579	RKGBOXZIWXVFJB-OQLLNIDSSA-N	351.356	4.912	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccccc1OC	731487768	BLBXBYSVMKVRRX-UHFFFAOYSA-N	350.418	4.548	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1Cl	734753430	VZMCKLPKFCSATO-RVDMUPIBSA-N	365.795	4.669	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3c(F)cccc3F)sc2c1	735694796	UMFNVBWBHMBTDP-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)c1cccc(Cl)c1	743057502	SWWIJBSISVSNFR-YBEGLDIGSA-N	361.788	4.712	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)c1	748418245	QLOMCBWXGVQGPD-QGZVFWFLSA-N	361.445	4.595	50	20	FJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2cc(Cl)ccc2Cl)s1	748512655	RMNSLOVALOFPGE-FNORWQNLSA-N	370.305	4.904	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(C#N)cc2)c1C	748685444	QDGMEKXDWJQZNM-CTPANLQCSA-N	361.445	4.598	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761392982	QXWOWBDTSYQPOD-PKNBQFBNSA-N	366.364	4.711	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc2c(s1)-c1ccccc1OC2	771706211	DUFNYWGBKWDDLD-UHFFFAOYSA-N	354.406	4.512	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(-c3cccc(F)c3F)o2)ncn1	773174787	XNCJDJGIEXGDMJ-YRNVUSSQSA-N	355.369	4.801	50	20	FJGD	
CCCCCn1nc(C)cc1NC(=O)NNc1ccc(C(F)(F)F)cc1	775660858	UUZUSJPKSCQZBU-UHFFFAOYSA-N	369.391	4.549	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1)c1ccccc1	781546469	FAAQHTFWAMLLNV-YYTPVVGHSA-N	358.413	4.786	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)s1)C(=O)[C@@H]1CCCOC1	794884324	OSTARHZRMUHLBC-JFBXQDQPSA-N	357.862	4.971	50	20	FJGD	
CCCN(N=C1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C	794997523	VUCMUYPDRAMPHM-UHFFFAOYSA-N	354.491	4.521	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3ncc(C(C)(C)C)s3)s2)cn1	800790923	BHKWWFMXYFPMBC-GHXNOFRVSA-N	354.504	4.967	50	20	FJGD	
Cc1ccc(-n2cc(/C=C(\C#N)C(=O)c3ccoc3)c(C(C)(C)C)n2)cc1	806557437	CIEHHJKMLONNHE-GZTJUZNOSA-N	359.429	4.861	50	20	FJGD	
COC(=O)c1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[nH]1	816112948	GTBTUINNMVPLJA-UHFFFAOYSA-N	370.299	4.711	50	20	FJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CC(Cl)Cl	816628242	NCLKJGFDHKZUQN-UHFFFAOYSA-N	369.726	4.709	50	20	FJGD	
CC(C)(C)c1nc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)no1	844346023	HJDZYCQSWSQQJN-UHFFFAOYSA-N	367.610	4.601	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NNc1ccccc1C(F)(F)F	849614348	YHTUAPWVCJUUTF-NSHDSACASA-N	364.458	4.863	50	20	FJGD	
CC1CCN([C@@H](CNC(=O)CCCC[C@@H]2CCSS2)C(C)C)CC1	915084069	XDIRIXGEGRGSPG-MSOLQXFVSA-N	372.644	4.573	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2OC)cc1	915852763	LFLGAZXRNPDKFF-BRFSQIRFSA-N	364.445	4.763	50	20	FJGD	
Cc1ccc(SCC(=O)NN=Cc2ccccc2-c2ccccc2)cc1	917540500	SWIHXWPHUZESPI-UHFFFAOYSA-N	360.482	4.904	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1F	921261667	JFXAMPDHTMKDMJ-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC(C)C	115103898	ZNBIJSMACYVMSP-WQRHYEAKSA-N	364.445	4.584	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cc(C2CC2)nc2ccc(Cl)cc12	154965262	VLRBGGCFACQHAK-UHFFFAOYSA-N	355.800	4.662	50	20	FJGD	
CC1(C)CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	183545542	NBAADJQSDAXFPW-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
N#C/C(=C/c1c(OC(F)F)ccc2ccccc12)C(=O)NC1CCCCC1	211469553	PTOULIUGDFBULV-QINSGFPZSA-N	370.399	4.797	50	20	FJGD	
Cc1ccc2cc(/C=C(/C#N)c3nnc4n3CCCCC4)c(Cl)nc2c1	211500699	PUKVQEDSMYZGGB-WJDWOHSUSA-N	363.852	4.579	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)Nc1cccc2ccccc12	213095815	PQAJVYSEFNPEAR-VBKFSLOCSA-N	364.351	4.987	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3ccccc3Cl)cc2)oc1C	727838931	QMDYCVBHULEBLH-UHFFFAOYSA-N	356.813	4.760	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F)c1ccccc1	733204988	GLHSEBZVVKYIHJ-ZENNRRHLSA-N	362.326	4.629	50	20	FJGD	
C/C(=C/C(=O)NNc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1	735700184	FRHFOTCVOLPOME-KTKRTIGZSA-N	356.294	4.530	50	20	FJGD	
Cc1cc(NNC(=O)c2sc3cc(C(C)C)ccc3c2Cl)nc(C)n1	736718820	OEHQBQVXTBVCPG-UHFFFAOYSA-N	374.897	4.842	50	20	FJGD	
CN1CCCN(C(=O)CCCC[C@@H]2CCSS2)c2cc(F)ccc21	740843648	IGMNWZAKNGSZAP-OAHLLOKOSA-N	368.543	4.713	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](CCO)C1	752971719	COVZRHNEMWHNRA-LLVKDONJSA-N	374.375	4.970	50	20	FJGD	
CC(C)C(=O)Nc1ccc(OC(=O)CCCC[C@H]2CCSS2)cc1	753729503	IJAXAHFWQVXCHI-INIZCTEOSA-N	367.536	4.901	50	20	FJGD	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccncn3)cc2[N+](=O)[O-])cc1	758912844	OLBLDMPNIJGLCU-YBEGLDIGSA-N	374.425	4.909	50	20	FJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc2ccccc2n1	777459903	JKVWYZUZAUAJQR-CYBMUJFWSA-N	373.378	4.576	50	20	FJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1ccc2ccccc2n1	777462462	SPZLYYYAROBBFT-UHFFFAOYSA-N	368.440	4.760	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(C(=O)O)cs3)n2)cc1	782199517	GKJRDTNSPPJNRX-SDQBBNPISA-N	368.439	4.643	50	20	FJGD	
CC1CCN(c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2)CC1	785057928	LNHVZBZDRKAOBO-NBVRZTHBSA-N	363.436	4.608	50	20	FJGD	
COc1ccc(CC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nc1	790024947	ZCUCOLNHGUYJIA-UHFFFAOYSA-N	368.327	4.929	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)s1)C(=O)[C@H]1CCCOC1	794884525	PYNLLVQJRKAHIV-GWQWUEFDSA-N	357.862	4.971	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)c1ccc2ncccc2c1	794885405	RHYBVMVWVKOJEZ-OVCLIPMQSA-N	368.314	4.765	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cnn(-c3ccc(F)cc3)c2)s1	797398233	FMTUTLXLLODFSR-RIYZIHGNSA-N	352.438	4.830	50	20	FJGD	
O=C(NN=CC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1F	799866643	NRUCRRRRBAOLKV-UHFFFAOYSA-N	368.358	4.652	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811627271	WXCARGLUKFGGDW-SDQBBNPISA-N	350.365	4.929	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)CC(C)(C)c1ccccc1	915958155	PJWYRSZAXSCYLH-UHFFFAOYSA-N	358.869	4.822	50	20	FJGD	
Cc1ccc(NNC(=O)[C@H](C)Cc2cncc3ccccc23)cc1Cl	1322776989	WUKPIPYSOCUMDG-CQSZACIVSA-N	353.853	4.519	50	20	FJGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)c1ccccc1C	1325761229	IWDINRCPJPOSDH-UVTDQMKNSA-N	356.219	4.556	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccccc1Cl	32752520	LQXNFIFLOQSLGT-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)c2cccc(OC)c2)cccc1OCC	57405850	YLFSZSTYJHJXFO-AQTBWJFISA-N	365.429	4.673	50	20	FJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1cccc(Cl)c1Cl	171350238	YUKINJJXNNTFSX-JXMROGBWSA-N	352.608	4.587	50	20	FJGD	
CN1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	181774707	UMQCWAIVSTYTRE-UHFFFAOYSA-N	359.364	4.560	50	20	FJGD	
N#C/C(=C\c1ccc(CSC(F)F)o1)C(=O)c1cc(F)cc(F)c1	194536263	RJNFWMDRHOATOK-BJMVGYQFSA-N	355.312	4.803	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	255007350	XOXMEHILOXSLQP-OQFOIZHKSA-N	369.154	4.523	50	20	FJGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cccc(C(F)F)c1	729165242	BIMFDDICTTXYHS-UHFFFAOYSA-N	352.384	4.976	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ncccc1Cl	734247440	KYFLLCNBWZKWBX-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1cc(F)c(F)cc1F	734553265	HEQPCYUJCXBESA-UHFFFAOYSA-N	371.362	4.629	50	20	FJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)c3cccc4ccccc34)sc2n1	741465784	VTORBMJOVGOVIZ-UHFFFAOYSA-N	374.469	4.534	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Br)cc1Cl	742349731	JIRIODCUTQAPJT-IZZDOVSWSA-N	350.599	4.794	50	20	FJGD	
Cc1ccc(-c2nc(C(=O)NNc3ccc(Cl)cc3Cl)cs2)o1	748018362	SSWMIZZDTPKZPA-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccc(F)cc3C)s2)c(C)c1	748571713	MNHRQFFLNQMDEQ-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F	768301636	ZLFBZFNONUGLOU-LSDHHAIUSA-N	374.269	4.828	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(-c2cc[nH]n2)cc1	770030013	CSCZELNALYQPKD-UHFFFAOYSA-N	362.220	4.532	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1	771519383	CXQLIZFFYQNOFW-MDWZMJQESA-N	357.251	4.910	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1	771697414	PZAPHPDGVKUXCF-UHFFFAOYSA-N	354.347	4.574	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)c1ccccc1OC(F)F	775639819	VQLNXSFNNDWUIW-RAXLEYEMSA-N	368.314	4.765	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2nc(C)sc2-c2ccccc2)c(C)c1	778931778	BFZDQXSJCCXUPZ-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)c(C)n1-c1ccc(C(C)C)cc1	781366546	JIXANZKOOFENBI-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC(=O)c2ccccc21	789614665	VDNWSRGLPABWMX-GOSISDBHSA-N	364.470	4.693	50	20	FJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1cccc(Cl)n1	817008775	HHWMZOVPIXFNCG-UHFFFAOYSA-N	358.656	4.508	50	20	FJGD	
N#C/C(=C/c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1nccs1	817915878	ALDHXHAEHYHJIA-ALCCZGGFSA-N	358.637	4.649	50	20	FJGD	
Cc1nnc(CN(C)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	822618912	QHGOTUNYYNEOQG-UHFFFAOYSA-N	372.319	4.699	50	20	FJGD	
COc1cc(C(=O)NNc2ccc(C(C)C)cc2)cc(OC)c1C(C)C	837053905	YFFPIYCHFZHLFL-UHFFFAOYSA-N	356.466	4.708	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(Cl)c1)c1ccc(Br)cc1	918013953	AXYLZMVKJHATBO-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1	1322278037	SDVAUPHPDABLQS-OAQYLSRUSA-N	361.602	4.555	50	20	FJGD	
CCO/C=C(/C#N)c1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1	1325768903	DYZKIEHBMNQDGE-FZDNWWAKSA-N	357.479	4.850	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C(=O)O)c2)cc1	1776807601	BXCAIVVTKLRMHD-PDGQHHTCSA-N	362.429	4.582	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC	6635715	OMPAYDWJDPJBMB-JXAWBTAJSA-N	364.445	4.810	50	20	FJGD	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C	59269778	WPKAPCQPLYOGRM-OVCLIPMQSA-N	366.269	4.949	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	175632981	PIFPACNUXPDAIK-UHFFFAOYSA-N	369.446	4.854	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)s3)n2)cc1	177898892	JKPHTKDMCFSNOY-UKTHLTGXSA-N	354.456	4.953	50	20	FJGD	
CCC(=O)N1CC[C@H](C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	191945432	IPSYUTHZCPDFPR-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	192255232	ZALFATGTFMWIGG-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
Cc1cc(F)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	211866152	LMKXIPRYRAAKJS-ZDLGFXPLSA-N	353.441	4.754	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cc(C)c(C)cc1C	212017137	ODGLZFAFGJXTRB-ZDLGFXPLSA-N	364.445	4.523	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2cc(F)ccc2s1	302528539	CWCBSTKIRDTVIM-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
N#CCOc1cccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)c1	727744964	YMVCXQLIJPBZRW-MDWZMJQESA-N	351.818	4.916	50	20	FJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1cccc(C(F)(F)F)c1	727759363	ZLVXBAIDEHIBTD-JTQLQIEISA-N	374.815	4.983	50	20	FJGD	
COc1ccc2ccccc2c1C=NNC(=O)c1c(Cl)cccc1Cl	727781168	GCURNYMNUHUDNB-UHFFFAOYSA-N	373.239	4.919	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](c2ccccc2F)C1	730553416	ZPLIAIJROOXNLS-GJZGRUSLSA-N	353.528	4.856	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(OC2CCCC2)c1	731223838	KCFVIMHJVGQQKP-UHFFFAOYSA-N	364.367	4.784	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)cc1	734729129	MLJRHFIXFKAQEJ-SWEABUAFSA-N	357.356	4.808	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(Cl)c4c(c3)OCCCO4)[nH]c12	735618732	FHCOOVHHPINAND-ZSOIEALJSA-N	365.820	4.750	50	20	FJGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1	741767448	JAAKIWMYVNAMAJ-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(Cl)cc3F)cs2)cc1	747646777	QTKFBBBKPGOFOO-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	749466664	QGZULIQVAFQXCD-QVTJDRNWSA-N	363.408	4.906	50	20	FJGD	
C[C@H](Cn1ccnc1)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762974488	HFIXDHNNVHUIKL-SNVBAGLBSA-N	370.347	4.751	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1	770026216	JMJNEZMSAUXERW-UHFFFAOYSA-N	363.261	4.628	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(CCC(F)(F)F)c1	770061140	NSFLRMSJAWBYPV-UHFFFAOYSA-N	357.763	4.984	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)ccc1SC	773154811	NEUWDADUQKCRND-QPEQYQDCSA-N	361.825	4.999	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC(F)F	774559315	OWTHOBYPDYYBBZ-DHDCSXOGSA-N	374.343	4.968	50	20	FJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccc3ccccc3n2)s1	775890831	DSAJWTINQQQIAB-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)c(C)nc2c1	780805976	NBWLJLIVFGONRM-UHFFFAOYSA-N	363.461	4.606	50	20	FJGD	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	787087725	DJNSXUSXVCZVSG-IQGJIOQQSA-N	366.848	4.705	50	20	FJGD	
CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CC(C)(C)O	788018478	DSWGOFGYFZCRIU-UHFFFAOYSA-N	351.607	4.801	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)C2CCOCC2)cc1	794952947	JHGVVGWYKCXPNI-JWGURIENSA-N	374.484	4.616	50	20	FJGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2c(C)cccc2C(C)C)c1	812768589	XRYGJAZUPDQZFJ-UHFFFAOYSA-N	351.494	4.784	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(C(F)(F)F)cc1Cl	814636328	ABZCVTKDJRPTDW-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2cccc3ccccc23)cc1	914477840	CGWMKLJSCDAXPQ-QNGOZBTKSA-N	370.452	4.804	50	20	FJGD	
O=C(Nc1cc(F)ccc1F)NN(Cc1ccccc1)c1ccccc1	915305078	FKCOOLFCISPJAY-UHFFFAOYSA-N	353.372	4.708	50	20	FJGD	
COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1OCCC(C)C	1320828425	IMBNNCYTPWLWMH-UHFFFAOYSA-N	374.868	4.537	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1OC(F)F	48417604	PNKSJZKJTYKWLH-ZROIWOOFSA-N	369.323	4.833	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)c1cc2ccccc2o1	48417630	MCJXQNHXJNJYDK-NTUHNPAUSA-N	368.186	4.691	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	66407961	DQLKOQTXGBHQIG-NVNXTCNLSA-N	359.458	4.767	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	103277077	VKCAITUABSPZRB-NXEZZACHSA-N	354.294	4.517	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2F)c(C)c1	126152849	WYCFZTLKWBEMJM-MHWRWJLKSA-N	374.419	4.687	50	20	FJGD	
C[C@@H](Sc1ccc(F)cc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	214904647	NPVCGLUVHGOXRX-RTEFUZQYSA-N	374.437	4.967	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CCC[C@H](C(F)(F)F)C1	729514496	GOBBRILBHSGVHB-MNOVXSKESA-N	371.790	4.700	50	20	FJGD	
CCC[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1ccccn1	729614158	YSWNQIANWFEXSF-QFIPXVFZSA-N	374.488	4.844	50	20	FJGD	
CC(C)Cc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1	748703441	JVEYQGFNAFPMCA-UHFFFAOYSA-N	366.383	4.583	50	20	FJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@H](CSc2ccccc2)C1	750055750	PNGWTMABHQKGGH-DMOKECBHSA-N	365.458	4.573	50	20	FJGD	
CCC1(C)CCC(=NNC(=O)c2sc3nc(C)cc(C)c3c2N)CC1	751520074	DOBAAHCZWYLAAO-UHFFFAOYSA-N	358.511	4.571	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1Cl	753901051	UCEZEQMOIMTHDZ-VZUCSPMQSA-N	359.216	4.646	50	20	FJGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)Nc1cccc2ccccc12	760210043	HBAKNPCNIQKSGE-RGEXLXHISA-N	364.408	4.571	50	20	FJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNc2ccccc2F)cc1	769953011	JDAXOLJSEFDLKD-GOSISDBHSA-N	360.392	4.630	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2c1OCCO2	771520782	NBAFEUMGCYAHSC-WQLSENKSSA-N	360.196	4.554	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC(F)F)cc2)cc1	781547764	RMFKIFBMQZMJCM-RAXLEYEMSA-N	360.385	4.556	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1	787153513	FAIWSTXYVLAVHO-RZKQZQCBSA-N	356.425	4.633	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)c(Br)c1)c1ccccn1	794867332	WCLSHIQDCZSLGM-YRNVUSSQSA-N	369.140	4.807	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccsc2)c(C(F)(F)F)c1	794875990	ZLCSWBSTTRDBAC-NTUHNPAUSA-N	350.365	4.623	50	20	FJGD	
CCCN(N=Cc1csc(-c2ccsc2)n1)C(=O)OC(C)(C)C	794996084	QHKAVUBCVRBMMQ-UHFFFAOYSA-N	351.497	4.853	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(C2CCCC2)cc1	810496527	BPRJSXRYBFHNLL-UHFFFAOYSA-N	355.385	4.576	50	20	FJGD	
ClCCCOc1ccc(CNCc2csc(-c3ccco3)n2)cc1	811484966	QTCRWZUQJVDTQY-UHFFFAOYSA-N	362.882	4.701	50	20	FJGD	
C[C@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)c1ccn(C)n1	839194425	PBOCRJJDZLVBID-INIZCTEOSA-N	359.590	4.793	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2Cl)c1C	857301627	UWDQMAPDPWYNDD-XDHOZWIPSA-N	369.896	4.734	50	20	FJGD	
CC(C)CC[C@@H](NC(=O)NNC(=O)OC(C)(C)C)c1ccc(Cl)cc1	918230382	GQAOXJVRUUOPAT-OAHLLOKOSA-N	369.893	4.556	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1	1322278029	SDVAUPHPDABLQS-NRFANRHFSA-N	361.602	4.555	50	20	FJGD	
O=C(NN=C1CCCC[C@@H]1C1CCCCC1)Nc1ccc(C(=O)O)cc1	1776045555	SLUHNRDQCIWPCQ-QGZVFWFLSA-N	357.454	4.633	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccn1	7784903	NQOYFHBRXVPNEK-RVDMUPIBSA-N	361.332	4.985	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1OC	16410721	JUXGTSABZSIOFJ-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
N#C/C(=C\c1cccc(Br)c1)C(=O)c1c[nH]c2ccccc12	16441477	QUNOAPKZPFRPRL-MDWZMJQESA-N	351.203	4.720	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccnc1Sc1ccccc1	175430096	SPDLNSRYGARXKZ-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cccc(OC)c1	175628250	XGNPNQBNHDFSJE-UHFFFAOYSA-N	354.475	4.574	50	20	FJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1cccc2cnccc12	178494216	USVIEWZTOQPEHD-CYBMUJFWSA-N	373.378	4.576	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1CO	190284872	XDBYLPVKXDDLNH-BXKDBHETSA-N	360.348	4.579	50	20	FJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1cc(C)cc(C)c1	192813663	XQNKFASXMNGQPD-UHFFFAOYSA-N	374.440	4.514	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccc(C)cc1	194211084	RTABBNDQEWMSBF-UHFFFAOYSA-N	354.475	4.711	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1cccc(C(F)(F)F)c1	209918858	DIDZHQQAYFQTOW-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2F)o1	301819437	UUPUNGSFENOYIN-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c2c(c1)C[C@@H](C)O2	730149389	WITPQQAMZQANCK-MQOXYSQQSA-N	366.417	4.832	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)sc1C	733805963	SMGIQXWFJPLWPJ-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
CC(C)(C(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1	734365368	XGHPUSUDZZBDPW-UHFFFAOYSA-N	368.383	4.653	50	20	FJGD	
Cc1cccnc1[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)C(C)C	734675043	BGGWIAUTYFZDGL-HNNXBMFYSA-N	367.280	4.720	50	20	FJGD	
Cc1cccc(COc2cccc(C(=O)NNc3c(F)cccc3F)c2)c1	735698566	RMZOOJYQQMCAKR-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1F	747042302	OIQJSXVMCAETJI-WCIBSUBMSA-N	365.191	4.687	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1	748549056	FZEWMNFEZKREJS-PKNBQFBNSA-N	352.331	4.700	50	20	FJGD	
COc1ccc([C@H](C)CC(=O)NNc2ccnc3cc(Cl)ccc23)cc1	750233914	WPAJLVNFCNWJOM-CYBMUJFWSA-N	369.852	4.534	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCCC(F)(F)F)c1C	751636102	HLGVDACDOQATOM-LFIBNONCSA-N	356.388	4.698	50	20	FJGD	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)CCCC[C@@H]1CCSS1	755477310	ZGXUKVHXYYLUHC-QZTJIDSGSA-N	367.580	4.591	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c2ccccn12	762601864	CIGGPEHSLAYSOS-VBKFSLOCSA-N	355.401	4.572	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)c1ccc(OC(F)F)cc1	776258954	BQOYKPPQUYTGFA-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1cccc(F)c1Sc1ccccc1	781261308	XCAHWFCZBVGEJD-UHFFFAOYSA-N	356.397	4.873	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn([C@@H](C)CC)c2C)c1C	791569803	UKYBUVSLZZAYQC-YRIIZNAFSA-N	367.497	4.537	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(-c2nc(C)cs2)c1	799759537	RBGVZXNTUDFKRD-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1oc2ccccc2c1COC(C)C	799760500	JIVAVEMQKXTYMP-UHFFFAOYSA-N	366.461	4.986	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc1O	810251834	ZGEAKGLMXNMALD-WMZJFQQLSA-N	354.715	4.532	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)c1cc(C(F)(F)F)ccn1	812248388	LHHGQBVSFVUAEI-CHHVJCJISA-N	372.325	4.548	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	812766054	FOYQAXJOYMFURO-UHFFFAOYSA-N	373.428	4.587	50	20	FJGD	
CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836498050	HFCCJJKXOZUWIY-LBPRGKRZSA-N	373.391	4.902	50	20	FJGD	
CCCOc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	917329578	YYBOUDJJOKWTKS-QGZVFWFLSA-N	353.553	4.806	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(SC(F)F)cc1	932533671	VCGMUWOWIQFEDF-UHFFFAOYSA-N	373.222	4.521	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)Nc1ccc(Cl)cc1Cl	89768222	MNKLXVPGSKBNRR-SDQBBNPISA-N	360.175	4.550	50	20	FJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccc(Cl)cc1	123079244	BRGYIUQVEKDFAS-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
Cc1cc(NC(=O)CNc2cccc(S(F)(F)(F)(F)F)c2)on1	186148515	XRPUQBBGGFMJBV-UHFFFAOYSA-N	357.304	4.691	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccc(C)c1C	731155657	OGDXALXAXIOOOJ-CXUHLZMHSA-N	354.837	4.820	50	20	FJGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)c1cccc2ccccc12	741465423	JJYZANKDSACVLJ-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3cccc4ccccc34)co2)cc1	755745460	WAWROHIPTDMQTO-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
C[C@H]1[C@H](C)N(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1C	762975526	NUVOUHHMQGKWFM-QWRGUYRKSA-N	373.391	4.900	50	20	FJGD	
CN(CCCn1ccnc1)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788021556	RCGJTHOESWRYBV-UHFFFAOYSA-N	373.617	4.927	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3c(C)[nH]c4ccccc34)sc2c1	788690811	VJMUPCMBJDFZCV-UKTHLTGXSA-N	373.437	4.885	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccsc2Cl)cc1Cl	790100840	IURKXVQCAHHBTN-UXBLZVDNSA-N	353.230	4.609	50	20	FJGD	
ClCCCOc1ccc(CN2CCC(OC3CCCC3)CC2)cc1	811460038	VTXTWXMWDDAVLB-UHFFFAOYSA-N	351.918	4.618	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](CCO)CC1	817696941	JMIPPXCNTATBOI-GFCCVEGCSA-N	373.387	4.969	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)cs2)c1	917516209	OMKKAIRJDHXBOR-MHWRWJLKSA-N	360.438	4.969	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C2/COc3ccc(F)cc32)cc1	918154846	QIYPXXBQIZYGES-UNQMGURYSA-N	350.393	4.647	50	20	FJGD	
COCCOc1ccc(NC(=O)CCCC[C@@H]2CCSS2)c(C)c1	918332851	XMJMYXRPJPFRKW-MRXNPFEDSA-N	369.552	4.673	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)c1ccccc1OC(F)F	1116483437	FJPCHJVUMSHMLS-DTQAZKPQSA-N	368.383	4.678	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)C(=O)c3ccccc3C)c2C)cc1	1324990920	VEDPFQGLVMXUIN-BKUYFWCQSA-N	369.468	4.955	50	20	FJGD	
COc1ccc(CN(C(=O)CCCC[C@@H]2CCSS2)C2CC2)cc1	105016726	OQKSCJBXCNNTCX-GOSISDBHSA-N	365.564	4.900	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H]2CCc3ccccc32)c1C	105642861	RPICCFICMBHSRR-PZHBDVNGSA-N	361.489	4.568	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(OCc2cscn2)c1	179816026	JZQBVWFTJYIQES-UHFFFAOYSA-N	374.853	4.524	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(NC(=O)C(F)(F)F)c2)n1	255424777	ICSANDRZDPSZMA-SDQBBNPISA-N	365.380	4.831	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	726119474	ZJKUAWWBLNCMPL-CPNJWEJPSA-N	370.456	4.847	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)s1	729849669	NILJTDVQQFFRJL-SDNWHVSQSA-N	363.398	4.545	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)o1	732763607	MBPQNNGZSXBZAJ-OXQOHEQNSA-N	374.440	4.599	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(Cl)c1	746704794	JJLBDAURVIPQEJ-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cccc(OC(F)F)c3)n2)cc1	747034041	NTPJGYWYZZJUTE-DHDCSXOGSA-N	353.328	4.711	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1=Cc2ccccc2OC1	748666580	AYMAXICQSQPHSK-UHFFFAOYSA-N	364.470	4.799	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2ccc(Cl)c(F)c2)c2ccccc2n1	748898418	NZCSBMRVAASTGL-UHFFFAOYSA-N	357.816	4.908	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cnc(-c3cccs3)s2)n1	751515312	XQDBPASYOGZHBF-POHAHGRESA-N	373.484	4.569	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	752101823	IPRDKPAJJBDNMA-RVDMUPIBSA-N	369.827	4.625	50	20	FJGD	
O=C(NNc1ccccc1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1	753659962	PDNXQSZCQPBRCA-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cc([N+](=O)[O-])c[nH]1	762726234	ZITNMSFBRKWDKR-UHFFFAOYSA-N	357.260	4.833	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1	769959512	ARSVYHJBAOKBJO-UHFFFAOYSA-N	354.385	4.555	50	20	FJGD	
CC(C)CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777849640	OXNRGJPQHMHGKO-UHFFFAOYSA-N	353.378	4.668	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3c[nH]c4ccccc34)sc2c1	788689378	NSRYDSSWNLIPTI-XYOKQWHBSA-N	359.410	4.576	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H]1OCCc2sccc21	795150800	FJODPEKCEITFOP-AHIWAGSCSA-N	371.593	4.581	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]2C[C@@H]21	796032403	JWAPGWNITXZLAF-CABZTGNLSA-N	363.373	4.517	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccoc2)cc1OCC	798229751	HONNHIAPCPNTET-NVNXTCNLSA-N	359.809	4.910	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	812240135	JUEJPHRCIPNJAR-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
COc1cc(NNC(=O)CCSc2cccc(Cl)c2)ccc1Cl	813546183	RYYDRHSHOWNIPO-UHFFFAOYSA-N	371.289	4.628	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(Cl)c(F)cc1Cl	815972004	VGYKTVSZDSMYMH-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1cc(Cl)nc(Cl)c1	819741449	MTUPDZNSTJKVMD-SNVBAGLBSA-N	366.339	4.546	50	20	FJGD	
Cc1cccc(NNC(=O)CCCCc2ccc(Br)cc2)c1	916162979	XIMATEKYTMYKHE-UHFFFAOYSA-N	361.283	4.614	50	20	FJGD	
CCCCC(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	916295340	QPAUUQQVAKUGOD-UHFFFAOYSA-N	370.522	4.682	50	20	FJGD	
C[C@H](CBr)CN1CCC[C@@H](c2nc3ccccc3s2)C1	1320645405	QCDZUGSCWTUMME-CHWSQXEVSA-N	353.329	4.507	50	20	FJGD	
O=C(NN=Cc1cc(Cl)ccc1OCC1CC1)c1ccccc1Cl	1322498421	VBAYOWZOYOLCJS-UHFFFAOYSA-N	363.244	4.546	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	6588668	OYYRGBBJKNHELD-SFQUDFHCSA-N	372.424	4.840	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)cc1	6947263	XTJBHWWOHOPICC-QGOAFFKASA-N	364.445	4.666	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(-c2ccncc2)n1	63277794	WODVUJOBLKSYME-GZTJUZNOSA-N	369.453	4.670	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1[nH]c2ccc(Cl)cc2c1Cl	128047111	NJCQCRZIHGURMI-UHFFFAOYSA-N	374.149	4.649	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	171148923	OQDPMHVBJOYRMM-MHWRWJLKSA-N	373.387	4.779	50	20	FJGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3ccc(Cl)cc3Cl)c2)cs1	178884836	NROZRMCPWCLQDH-UHFFFAOYSA-N	367.261	4.510	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccccc1Cl	211504044	RHUNPORZRNBDHE-WQLSENKSSA-N	361.626	4.648	50	20	FJGD	
CSCCONC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	281147384	WFHLZGDISKLHKI-UHFFFAOYSA-N	352.350	4.760	50	20	FJGD	
CCSc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	733774728	QSZQPHLXCAJLMO-UHFFFAOYSA-N	369.939	4.771	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccccc1SCc1ccco1	735698204	SRDYUZNKLONBOP-UHFFFAOYSA-N	360.385	4.607	50	20	FJGD	
Cc1cccc2c(CCC(=O)NNc3ccccc3C(F)(F)F)c[nH]c12	741509487	ZPORGQJZGDDMDR-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(COc3ccccc3)cc2)c(C)c1	743762132	XBIOOIHZKFHTMR-UHFFFAOYSA-N	360.457	4.948	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	748008029	MFCXKKGZOAFEJZ-QQJLWGBUSA-N	357.256	4.745	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	748012671	OVBKSOCNWUZNJS-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	748382395	OSRMFCHNOBBBMJ-UHFFFAOYSA-N	356.429	4.676	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1C[C@@H]1c1ccc2ccccc2c1	748644601	RABQMWFPFFHJJP-MOPGFXCFSA-N	368.383	4.688	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC	749449971	BAVYRJXMIMVYMQ-UWCCDQBKSA-N	364.445	4.727	50	20	FJGD	
CC[C@H](C)[C@@H]1NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771866199	YNGLKPGDKJONKR-KWQFWETISA-N	358.332	4.815	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cn1	771998706	LTHFTFJMZUSRKS-UHFFFAOYSA-N	358.656	4.922	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)cc1)C(=O)c1cc(F)cc(F)c1	772179386	OIBINHCVQWPHLV-WLRTZDKTSA-N	367.273	4.696	50	20	FJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1ccccc1OC(F)F	775638619	DRIOIRUNAMURTP-KAMYIIQDSA-N	350.324	4.626	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ncccc2F)c(C)n1CC(C)C	791788303	CWAMNNINLBPULL-LTKMBJGESA-N	369.440	4.506	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OCC1CC1)c1nnc2n1CCCCC2	797399153	UWKZFBPKNQEEEO-MHWRWJLKSA-N	368.868	4.511	50	20	FJGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	799108464	BQQXUXJYNFYBKM-LJQANCHMSA-N	357.457	4.987	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(C2CCOCC2)cs1	804821416	XVPMGZPIIDZEGF-CYBMUJFWSA-N	372.581	4.690	50	20	FJGD	
COc1cc(Cl)ccc1CNCc1ccc(OCCCCl)cc1	811480947	KKELKBNQOYAFHB-UHFFFAOYSA-N	354.277	4.646	50	20	FJGD	
CC(C)(NCc1ccc(OCCCCl)cc1)c1ccc(F)c(F)c1	811484280	YDVDGQOXVPBXRZ-UHFFFAOYSA-N	353.840	4.997	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812243883	BRNDPFNFFGKSRR-RXAUVDRZSA-N	357.316	4.602	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)c1ccc(F)cc1	921266028	VBNMLKXGTFMWQZ-SDQBBNPISA-N	350.176	4.931	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(SCc3csc(C)n3)cc2)c1	119245626	NDKFWXUBDJLYNC-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	172521900	JNNKVTDWPZDWBE-XYOKQWHBSA-N	359.882	4.948	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)s1	172522672	FGURLMAKXNEYAK-IZZDOVSWSA-N	353.422	4.851	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	212015327	CUDGLJBOWARHBE-WQRHYEAKSA-N	364.445	4.722	50	20	FJGD	
C[C@H](CO)CCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	277520452	XLHKWGUSTJRDHP-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c2c(c1)C[C@@H](C)O2	303156823	GHOHHNAIZQISJB-XPGOGFAUSA-N	372.424	4.598	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2ccc(Cl)cc2)s1	734247783	YIMRWLVLKYIAAV-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)ccc1OC	741474826	ZVSCEBZWURIMFM-DWKHYPNZSA-N	362.433	4.516	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H]1c1ccc(O)cc1	744335376	YKQJLBOGLIXNNL-DLBZAZTESA-N	351.537	4.770	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1ccc(Cl)cc1Cl	748018036	FHQIVQCZQMTLAU-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cn1c(C(=O)NNc2ccccc2Cl)cc2cc(C(F)(F)F)ccc21	748317467	JLNPXTKLCKTEME-UHFFFAOYSA-N	367.758	4.607	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(F)ccc2Br)c1C	761175710	CSSGCRFQKBKPIC-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1	771114532	JVGMGMIQOSYXFU-LJQANCHMSA-N	374.419	4.938	50	20	FJGD	
C[C@H](CCC(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779204053	OFULDVGLXVRRIV-CYBMUJFWSA-N	352.356	4.612	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(C2CC2)cnc1Cl	793666214	NURZQGHLWGMXFY-UHFFFAOYSA-N	356.640	4.676	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)c1C	794870306	SUNDFLXUNXMEMD-DHDCSXOGSA-N	372.371	4.536	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)Nc1cccc(Cl)c1Cl	794932865	ZUYIGXXORACCAH-VURMDHGXSA-N	369.154	4.523	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc(C(=O)O)c(C)cc3C)c[nH]c2c1	794935418	QXPDEJRSXQPLED-PXNMLYILSA-N	358.397	4.581	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)c1ncc(C(F)(F)F)cc1Cl	812241820	NHMOWUPJXLJCLJ-ONNFQVAWSA-N	356.706	4.966	50	20	FJGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1ccc(Cl)cc1Cl	814762301	VQCJGNAEDWHZHW-UHFFFAOYSA-N	359.253	4.524	50	20	FJGD	
CC[C@H](C)n1ncc2c(C(=O)NNc3ccc(C(C)C)cc3)cc(C)nc21	837055624	JCISFRIMBDRDKT-HNNXBMFYSA-N	365.481	4.591	50	20	FJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(C(C)C)cc2)s1	837689183	LUPYLPBCDDMHPT-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC(c2cccc(Cl)c2)C1	839785371	XCPVLHASCHETJV-MRXNPFEDSA-N	355.956	4.980	50	20	FJGD	
N#C/C(=C/c1ccnn1CC1CC1)c1nc2cc(C(F)(F)F)ccc2s1	849242872	CJJFFLFLTIRKQD-GHXNOFRVSA-N	374.391	4.986	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(-n2cccn2)cc1	884003297	KELGGQARPMOYCM-HKWRFOASSA-N	370.456	4.543	50	20	FJGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1	921259623	WGKLZPSMKJCIHA-ZSOIEALJSA-N	358.800	4.812	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	23391473	ZXNYLLCUDUHSCX-NTCAYCPXSA-N	369.446	4.537	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)c1nc2ccccc2n1C(F)F	23612640	XYXJICKLORATHI-XNTDXEJSSA-N	361.355	4.681	50	20	FJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccccc2Cl)on1	153017313	WZQRQBFACMLEOW-UHFFFAOYSA-N	373.865	4.686	50	20	FJGD	
CN1C(=O)CCc2cc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)ccc21	186858366	UPCHTNAZFBJHQF-LDADJPATSA-N	371.465	4.783	50	20	FJGD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCC[C@@H]1CCSS1	725906094	QXFPIRLXYWPWTO-CYBMUJFWSA-N	354.497	4.864	50	20	FJGD	
O=C(CCCc1cccs1)NNc1ccc(Br)cc1Cl	729275573	NCGWPJPPHMGGMM-UHFFFAOYSA-N	373.703	4.630	50	20	FJGD	
CSCC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	736056654	KHKMKVOPWRGVKZ-SJPXOZHESA-N	373.566	4.775	50	20	FJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1nccc2sccc12	743417090	WXPOEGZYCRYDKC-AWEZNQCLSA-N	368.506	4.818	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)Nc1ccc(Cl)cc1Cl	743807023	BPYOOSBTRLITFJ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(Br)c1)c1ccccc1Cl	748022353	SVVDZNSBWZBFEP-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
CCSc1ccccc1C(=O)NNc1ccc(Br)cc1C	748748675	QAHGVBSHEHNXNX-UHFFFAOYSA-N	365.296	4.626	50	20	FJGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	753859417	UZLPRIVNQYQFPJ-WQLSENKSSA-N	366.804	4.628	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2csc(Cl)c2Cl)cc1	761384366	HLLMHFDUDMYCGW-WUXMJOGZSA-N	351.258	4.587	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(CCC(F)(F)F)c1	775666568	FVJVBOVGYBJKBM-UHFFFAOYSA-N	357.763	4.984	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(F)c(Cl)c1	783686991	CNSIIIKBMDFDPN-WZUFQYTHSA-N	365.147	4.831	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccccc2CC(F)(F)F)ccc1Cl	788617019	BUMSZRZBMKGESM-UHFFFAOYSA-N	373.762	4.602	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1ccsc1	811628071	MNFUOZRRPMDAEQ-XCVCLJGOSA-N	353.186	4.753	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC[C@H]2C(C)(C)C#N)c(C)n1-c1ccccc1	814703461	CQBWGLGAOMNNDY-LJQANCHMSA-N	362.477	4.530	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1cc(C2CC2)nc2ccc(Cl)cc12	817010953	ZERDLOKWHDUFMV-UHFFFAOYSA-N	373.243	4.571	50	20	FJGD	
N[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	818634333	XKDWBZSHWWSKDN-VXGBXAGGSA-N	359.364	4.735	50	20	FJGD	
CS(C)(=O)=Nc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	848216482	DNLWOPUOSGOIDE-OAHLLOKOSA-N	372.581	4.698	50	20	FJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNc1cccc(Cl)c1	849929320	MZKATPMFMJQMRW-UHFFFAOYSA-N	352.821	4.599	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2-c2ccccc2)cc1	917517349	ORYLURHCSZQADH-CYVLTUHYSA-N	354.409	4.908	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2C)c1C	917793601	VKTWYANXZQTUHK-CPNJWEJPSA-N	365.477	4.768	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(O[C@H](C)CC)c2)cc1	919998347	XIUUJOUJPAZPOW-APVMCDBPSA-N	364.445	4.808	50	20	FJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	6936140	SJTGKCSXVXZZFL-LFIBNONCSA-N	354.837	4.983	50	20	FJGD	
O=C(NNc1ccnc2ccccc12)c1cc(-c2ccccn2)ccc1Cl	133553445	NFSYYLMLESBUMR-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1ccc(Cl)s1	588424882	OCAJNEOGAUBHFR-XFFZJAGNSA-N	353.777	4.835	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccncc2)cs1	588425224	WOLVBZITKPVUGR-QPEQYQDCSA-N	368.805	4.831	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)CCSc1ccc(F)cc1	730552056	WCPYKHRYEYWJSP-UHFFFAOYSA-N	370.449	4.767	50	20	FJGD	
Cc1c([C@@H](NC(=O)NNc2cccc(C#N)c2)C(C)C)oc2ccccc12	732705156	SAEJPGJAKXGDEE-IBGZPJMESA-N	362.433	4.636	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	735698841	XRLJLSTXTIRZMW-GHMZBOCLSA-N	357.187	4.518	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc(C)c1OC(F)F	747615183	ZRUPYPDXVRKZKI-UHFFFAOYSA-N	374.309	4.681	50	20	FJGD	
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNc4cccc5cnccc45)cc3c2C1	748773586	UXGFJTRGEGHOBQ-CQSZACIVSA-N	370.456	4.598	50	20	FJGD	
Cc1oc(-c2cccs2)nc1COC(=O)[C@@H](Br)C(C)(C)C	766750517	IILHIDOHTMODNT-GFCCVEGCSA-N	372.284	4.564	50	20	FJGD	
Cc1cccc(O[C@H](C)C(=O)NN=CC2CCC(C(F)(F)F)CC2)c1C	767366476	FHEGEJDANWRREX-QQFBHYJXSA-N	370.415	4.541	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	773480780	FFKSPZSXZLINME-UHFFFAOYSA-N	366.383	4.777	50	20	FJGD	
COC(=O)Nc1ccc(COC(=O)CCCC[C@H]2CCSS2)cc1	778355365	KHSOEWIOBNFHDX-HNNXBMFYSA-N	369.508	4.622	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc2cccc(OC)c2o1)c1ccccc1	787145317	PSHRCVKJJHTLMW-XEYRCQSKSA-N	360.413	4.616	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	798344476	GVLBAQVUQWFPFR-KPKJPENVSA-N	363.248	4.625	50	20	FJGD	
Cc1nc(-c2ccc(C(=O)NNc3nc4ccccc4cc3C)cc2)cs1	799717460	GBLYMQOMGJXAND-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)ccc1OC(F)F	809146180	MSNGVVJSSYJECK-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)NCc1cccc(Cl)c1	811628356	VFIYCPHPYCPZJB-WZUFQYTHSA-N	370.783	4.644	50	20	FJGD	
Cc1sccc1/C=C(\C#N)c1nc(O)c2c3c(sc2n1)CCCC3	834405286	RGLDBRVBWKFPPT-XYOKQWHBSA-N	353.472	4.710	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2cc3ccccc3nc2O)C1	844335639	HPCNUQBDJDRTOO-GOSISDBHSA-N	372.585	4.927	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(-c2ccccn2)nc2ccccc12	912646412	VYFJBBIHVUWKKK-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1cnc2ccccc2n1	1320699547	FXXJXJCLOHOLJT-LFIBNONCSA-N	367.364	4.652	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	7351779	HAXYMIDOMABFTN-DTQAZKPQSA-N	360.438	4.969	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl	53102863	HIAWWVSWTJWUIL-OQFOIZHKSA-N	368.201	4.509	50	20	FJGD	
CCn1nc(C)c(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C	76106448	YGXWCACQPDTGDV-YBEGLDIGSA-N	364.474	4.716	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C	105285598	SNGUDMYOPBVAGW-KDVQLTRESA-N	371.868	4.511	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	173015464	SWRRGUUGNVDLIR-NTEUORMPSA-N	361.228	4.685	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cnn(-c3ccccc3C)c2C(C)C)c1	189671369	FGBVUKUIYUVUIU-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
C[C@@H](CO)CCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	277520455	XLHKWGUSTJRDHP-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)c1ccc(Br)s1	730435801	CQVFPJLAMPXTFY-WQLSENKSSA-N	362.248	4.618	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(F)c(F)c1F)c1cccc(C(F)(F)F)c1	743332707	WCBNEWSMSKOFPR-VQHVLOKHSA-N	374.284	4.669	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)Nc1ccc(Oc2ccccc2)cc1	748995149	WLNTYAMFIZKHQG-NTCAYCPXSA-N	371.421	4.958	50	20	FJGD	
Cc1sc(C(=O)NNc2c(F)cccc2F)cc1-c1ccc(F)cc1	755811181	IRGLXQYFYYNGCO-UHFFFAOYSA-N	362.376	4.898	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c2ccccn12	762605108	UHTLPKXIAJRONG-ZROIWOOFSA-N	372.403	4.868	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)C(c1ccccc1)c1ccccc1	770198443	SIYZLABAUFXDQE-UHFFFAOYSA-N	354.812	4.754	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1OC(C)C	774560017	UVJBEEITQLPCKK-GZTJUZNOSA-N	352.390	4.763	50	20	FJGD	
CSCc1cccc(NC(=O)NNc2ccccc2OC(F)(F)F)c1	779425899	MXWMQSHNXIPJKD-UHFFFAOYSA-N	371.384	4.597	50	20	FJGD	
CO[C@H](C)c1nc(COC(=O)CCCC[C@@H]2CCSS2)cs1	782341233	IHKQBANMWYFBID-DGCLKSJQSA-N	361.554	4.608	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccc(Cl)s1	783687466	KIXZPXZOAGWTRN-ZSOIEALJSA-N	351.818	4.648	50	20	FJGD	
O=C(CCc1cnc2ccccc2c1)NNc1cc(Cl)cc(Cl)c1	792480423	JGKOQMHPBZZZHS-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCC12CCC2	799872135	LUHGFLNYAMSMFW-UHFFFAOYSA-N	359.882	4.701	50	20	FJGD	
Cc1ccc(-c2ccsc2C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1	805385589	XHWXGYSLHGSIGH-UHFFFAOYSA-N	367.430	4.697	50	20	FJGD	
CC(C)[C@H](CO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	806422395	RCXRVQSYTLCPCF-JTQLQIEISA-N	362.364	4.730	50	20	FJGD	
CC[C@H](C=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1	814762103	NNPBSMDQHTUNEF-QGZVFWFLSA-N	362.429	4.768	50	20	FJGD	
COC(=O)[C@@H](C)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	839895958	PVYBHIYNPMPFOH-BBRMVZONSA-N	367.536	4.616	50	20	FJGD	
CC(C)(CO)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccs1	855110061	LMIIRFWCKRPLJZ-XJKSGUPXSA-N	373.609	4.638	50	20	FJGD	
C[C@]1(CNC(=O)Nc2cc(C(F)F)ccc2Cl)C[C@H]1Br	856848791	KTKBYFRHYFHFJK-ZWNOBZJWSA-N	367.621	4.573	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccco2)c1C	914496305	VWPPRRYXTBHCOQ-HNMKQIAWSA-N	353.466	4.625	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	915992377	ZROJVFOSYYALAP-NTEUORMPSA-N	354.337	4.658	50	20	FJGD	
CCc1ccc(C(=O)NN=Cc2cc3cccc(C)c3nc2Cl)cc1	916329796	XJAPDIONHZCLHC-UHFFFAOYSA-N	351.837	4.523	50	20	FJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1ccccc1C(F)(F)F	916998871	YSXMIVOKPADBCK-JTQLQIEISA-N	374.815	4.983	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@](C)(CO)C2)cc1	1321742984	KMAOCNRDGYLSMC-NRFANRHFSA-N	363.618	4.803	50	20	FJGD	
CSc1ccc(Cl)c(C(=O)NNc2ccccc2C(F)(F)F)c1	45481044	PXKHHPVSKUCMCT-UHFFFAOYSA-N	360.788	4.838	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(Cl)c1OC	107066658	WPUGQOHVSVQKDV-LCYFTJDESA-N	366.804	4.628	50	20	FJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)/C(=C/C#N)c1ccccc1	179191397	PPMOLRADXLSNCR-GZTJUZNOSA-N	374.271	4.818	50	20	FJGD	
O=C(NC[C@H]1CC[C@H](O)C1)Nc1cccc(S(F)(F)(F)(F)F)c1	189891223	CHZMVDAWEJPKSD-ONGXEEELSA-N	360.348	4.627	50	20	FJGD	
Cn1nccc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	255009563	YLWPPHSOMQKSHB-POHAHGRESA-N	361.257	4.915	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccn2Cc2ccccc2C#N)cc1	588541806	UOEXIZHBHWPVOS-BKUYFWCQSA-N	351.409	4.506	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2cccs2)c(OC)c1	726595027	SMYDIMFMDCATRO-KWZJRMENSA-N	355.459	4.858	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)c1C	727655601	YXSQHFMDJCJXIU-LICLKQGHSA-N	361.832	4.932	50	20	FJGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNc1cc(Cl)ccc1Cl	752812996	OOWDEYLFMHZUGC-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CC[C@@H](NNC(=O)c1cc2ccccc2o1)c1ccc(Br)cc1	760477158	DWDZRSWAVDCQMZ-OAHLLOKOSA-N	373.250	4.581	50	20	FJGD	
Cc1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	762969776	FPOSIHAZWFIYKQ-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1cccc(Cl)c1Cl	767718621	VYJKCCZERLHARZ-RUDMXATFSA-N	371.145	4.956	50	20	FJGD	
N#C/C(=C\c1cc(O)ccc1Br)c1ccc2ccccc2n1	769774365	UIMYEXRCTZGXIA-NTEUORMPSA-N	351.203	4.767	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccccc1CC(F)(F)F	771161385	NKOLTJXUKVQWQQ-UHFFFAOYSA-N	361.726	4.733	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1Cl	774559255	GHFGQDZGEMKSAI-OQLLNIDSSA-N	370.792	4.886	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)n1	775743513	WOVZKOGDORCMQU-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
O=C(NNc1ccccn1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	777474853	ZNACGPZZVZOMJY-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc(Cl)c(OC)c1	790174248	GPBDMVBERIUCPZ-FWLQQBITSA-N	374.868	4.682	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2c(C)cccc2CC)cc1OC	799758945	DFPKIFNMDAZDDF-UHFFFAOYSA-N	356.466	4.502	50	20	FJGD	
CCOC(=O)[C@@H]1C/C(=C/c2cccc(CCl)c2)C(=O)c2ccccc21	802710563	ZNTIEFFIEWZGBX-JVCXIRSZSA-N	354.833	4.742	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(C)c1OC	806554269	PAGJXQOIAWKULM-JYRVWZFOSA-N	354.406	4.825	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(C2=CCCC2)cc1	810535144	DMTVQXAJMVYUJY-UHFFFAOYSA-N	362.351	4.909	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Br)s1	812769516	KSDLWUHBZQJORL-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	840720982	UWVWKTLACGNXMU-AUWJEWJLSA-N	359.351	4.583	50	20	FJGD	
N#C/C=C(\c1ccc(Br)c(Cl)c1)N1CCC[C@H](CC#N)C1	852320427	KPEIBCXSMCSJME-VOMFFSSUSA-N	364.674	4.593	50	20	FJGD	
COC[C@H](C)Oc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	853008395	PMHJIAAIYXHHAY-FBKCMUNRSA-N	356.491	4.918	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(N2CCCCC2)cn1	915654854	ZTAZOLPBTVEJHJ-INIZCTEOSA-N	365.568	4.725	50	20	FJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1	27121692	YKFIQBYTKMUMRH-ZMTLZGASSA-N	361.850	4.554	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	59133385	AKUZMYKONRQESG-UVTDQMKNSA-N	360.335	4.650	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(SC)c2)c1C	198447903	TWYYJGLQQGSKMD-BOPFTXTBSA-N	353.491	4.783	50	20	FJGD	
CC1(C)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1O	279445425	DHHZSYYQLRNWTJ-NSHDSACASA-N	360.348	4.579	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1	726119799	DMNQAOPQCPEDBU-SFQUDFHCSA-N	363.417	4.885	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1)C1CCCCC1	732716771	YSILRSOFQCDPCZ-NTEUORMPSA-N	357.504	4.570	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	734306527	PTQFWDUSKZLOBJ-ATVHPVEESA-N	353.491	4.722	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(Cl)c1OC	735616852	KRJJNCSHGQEVCZ-LCYFTJDESA-N	353.809	4.606	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1	743057440	RRHBNCCVPVXMND-NQUDRAQSSA-N	371.820	4.589	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)cc1C(F)(F)F	746893355	KPDVKJFSHLXIRN-UHFFFAOYSA-N	374.149	4.641	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)c2nc(C(C)C)cs2)c1	747440031	NLCNCGOIYKGAIX-AUWJEWJLSA-N	350.447	4.729	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccc(C(F)(F)F)cc1	747604959	KZJCPGODYWPLNH-UHFFFAOYSA-N	373.378	4.776	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1c(Cl)cccc1Cl	748994328	MJMCGRCSSYHOLS-UXBLZVDNSA-N	352.608	4.587	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1cc(Cl)cc(Cl)c1	749892176	RMODYYMZXRBUSI-LAFDYMOFSA-N	354.139	4.767	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	750796644	XEDDDRYCIDSRKF-SLMURBDHSA-N	366.280	4.753	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Br)s1	752813436	UDNAANZDRGPMNF-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNc1cc(Cl)cc(Cl)c1	756040251	IGZUDOPPBKXLIB-MRVPVSSYSA-N	358.191	4.741	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774559414	PZCVLOWVRKZIEQ-ZSOIEALJSA-N	360.316	4.577	50	20	FJGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)c1nc2cc(F)ccc2s1	787170556	XDXNDXIJOUUMJZ-UXBLZVDNSA-N	358.781	4.851	50	20	FJGD	
CC(C)(C#N)c1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	793755312	ADSXSUIKQWEUIH-UHFFFAOYSA-N	366.223	4.691	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(C(F)F)cc1	794472608	ZXLGJCQIJGKCDW-UHFFFAOYSA-N	354.809	4.520	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	794875911	XZNUNEJEZVDSPW-XNTDXEJSSA-N	370.387	4.591	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)C(F)(F)F)c(C)n1C1CCCCC1	807896958	FIRJOAZKRJEGHS-KWZJRMENSA-N	367.415	4.584	50	20	FJGD	
O=C(NN=C1CC[C@@H]1C1CC1)c1ccc(COc2ccc(Cl)cc2)cc1	814726955	FSRKECNAXJCEPH-LJQANCHMSA-N	368.864	4.825	50	20	FJGD	
CCc1c(C(=O)NNc2cccc(Cl)c2Cl)cnn1C(CC)CC	838348917	KPFIIXFLGDDLAA-UHFFFAOYSA-N	369.296	4.870	50	20	FJGD	
CCOC(=O)c1noc(CNc2cccc(S(F)(F)(F)(F)F)c2)n1	841696892	AUJHTPJDRAMGFO-UHFFFAOYSA-N	373.303	4.516	50	20	FJGD	
CCc1noc(C)c1CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844346252	KRAYFWXVEHRBKJ-UHFFFAOYSA-N	352.595	4.779	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(O[C@@H]3CCOC3)cc2)s1	849178816	HTROHUOERVOXFK-IUYQLWOBSA-N	354.475	4.672	50	20	FJGD	
N#CSCCCNC(=O)c1cc(Cl)ccc1SC1CCCC1	854360814	BUFMITKMUWEFES-UHFFFAOYSA-N	354.928	4.709	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccco2)c(C)n1CCC(C)C	914495579	BLGBWSRCVUYXLJ-JZQBQCRLSA-N	367.493	4.871	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(C)cs3)o2)cc1	917042015	DAHWRYQSSFAAII-DHDCSXOGSA-N	350.399	4.562	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)cs2)cc1	917517465	PNSDEKJSTNXOPS-LFIBNONCSA-N	360.438	4.969	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C3CCCCC3)cc2)nn1	1323001216	GOIPRJGBGOTEAC-UHFFFAOYSA-N	352.482	4.579	50	20	FJGD	
CO[C@@]1(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCSC1	1332436309	XAWRMKBHORJYBL-LBPRGKRZSA-N	363.373	4.805	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cccc(OCc3cccc(C#N)c3)c2)n1	55038458	YBEVKVOJVAHKSV-DJKKODMXSA-N	357.438	4.966	50	20	FJGD	
N#C/C(=C/c1ccc(OCCBr)c(Cl)c1)c1ccccn1	121700929	OHJQDBKPGFYXDN-LCYFTJDESA-N	363.642	4.573	50	20	FJGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)cnc12	125345077	PZUVLXZCFQEPNU-WQLSENKSSA-N	356.212	4.739	50	20	FJGD	
N#CC1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCOCC1	186052873	XEMINPYHINADFV-UHFFFAOYSA-N	356.316	4.603	50	20	FJGD	
O=C(NC[C@H]1CC[C@@H](O)C1)Nc1cccc(S(F)(F)(F)(F)F)c1	189891262	CHZMVDAWEJPKSD-GXSJLCMTSA-N	360.348	4.627	50	20	FJGD	
C[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)C	194029653	YYCQFVQUPXIBKG-SECBINFHSA-N	374.375	4.833	50	20	FJGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)c1nc(-c2ccccc2)no1	727975015	SAAWDNWGGMKJNC-WJDWOHSUSA-N	356.410	4.924	50	20	FJGD	
Cc1ncccc1/C=C(/C#N)C(=O)c1cc(C)n(-c2ccccc2F)c1C	728785626	IJCASDGKFBPSPF-PDGQHHTCSA-N	359.404	4.727	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)o2)c1C	733416281	WTGPUPARTPFJPQ-ZDLGFXPLSA-N	369.465	4.667	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)ns1	747988046	OTVZPBQGRSFQGI-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccc(-n2cccn2)cc1	760229333	HGLIENDHEQXTGB-QGZVFWFLSA-N	362.520	4.630	50	20	FJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2cccc3c2CCCC3)c1	764264143	QOWWBLFGJXJDMK-UHFFFAOYSA-N	373.294	4.702	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2C)cc1	764885206	HRPCQYGMLJZBCE-PDGQHHTCSA-N	359.404	4.727	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc2ccsc12	768322501	TZZFUUHDPNBSIM-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146393	XGVXUGCTMSJSBH-JYOAFUTRSA-N	355.237	4.913	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1Br	774558017	IFYDYGIYBFIQSK-RIYZIHGNSA-N	373.206	4.739	50	20	FJGD	
CC(C)CN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777914308	AWCSULHHXIIVRL-UHFFFAOYSA-N	353.378	4.621	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(F)c3ccccc23)ccc1Br	795103198	JMZZJRVJBDIPBT-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)C(=O)c1ccsc1	799891696	RIDARIZFVVHKPY-UITAMQMPSA-N	354.175	4.579	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	812240134	JUEJPHRCIPNJAR-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1ccc(F)cc1F	841231511	RJQFURNRCFKLKS-JXMROGBWSA-N	374.387	4.989	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CCc2ccco2)c1C	843314604	JUNKVNSSIBXIMY-ZHTGWBIJSA-N	367.493	4.543	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1CO	856853530	BACJWTHRHAIJRL-MNOVXSKESA-N	374.375	4.826	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	917516566	AWKVZGLRUUCFBP-CHHVJCJISA-N	372.660	4.985	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1)c1ccccc1	7157268	SUGNRCFOCJSVIG-ZMTLZGASSA-N	362.401	4.520	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(Cl)ccc1Br	30807519	NQTICMCBMVQDGT-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3csc(-c4ccccn4)n3)c[nH]c2c1	98125498	CDGHFFMXJZTLNI-NTEUORMPSA-N	370.437	4.785	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(C)c3)sc2C)cc1	120665438	XNVIUCWLKUYOGQ-UHFFFAOYSA-N	352.459	4.797	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc(C#N)cc2)cc1F	155235100	PJGJWZLSAVSNPI-UHFFFAOYSA-N	363.367	4.569	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2F)c(C)c1	212132915	DEDJRUKIJNXLMO-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc2c(c1)Nc1ccccc1S2	254616401	ONHVTZQNWIWOQV-UHFFFAOYSA-N	374.469	4.631	50	20	FJGD	
CCN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1	588578026	QYHUGBQXZKUAOE-ZDLGFXPLSA-N	371.469	4.597	50	20	FJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1cc(Br)c[nH]1	728156745	NZTWKVFHXVQFRI-LBPRGKRZSA-N	354.292	4.634	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(Oc2ccc(F)c(F)c2)cc1	732754298	WXYZWIRKPYHMSL-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
Cc1cccc2cc(/C=C(/C#N)C(=O)N(C)C3CCCCC3)c(Cl)nc12	732804103	FSCLJKLVJYLDHG-ATVHPVEESA-N	367.880	4.895	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(-c3ccccc3)nn(C)c2Cl)s1	734752543	FTRRGXOFZDFXPH-UVTDQMKNSA-N	367.861	4.900	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)ccc1OC(F)F	735619718	PWYSUPDLYZWGHS-ZROIWOOFSA-N	369.371	4.936	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1ccc(C#N)c(Cl)c1	753312390	DHDBRDNIEDTNIK-UHFFFAOYSA-N	374.897	4.781	50	20	FJGD	
CC[C@H](C(=O)NNc1ccc(Br)cc1C)c1ccc(F)cc1	764268516	WHVWONFPFJYQRN-HNNXBMFYSA-N	365.246	4.534	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1	787153516	FAIWSTXYVLAVHO-ZGPWBKFBSA-N	356.425	4.633	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1)c1ccccc1	787179301	PRMFVLMGXUWRRG-CNSVBDKNSA-N	370.456	4.560	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(-c2ccnn2C)c1	801647666	HKJJSWICHZTQKD-UVTDQMKNSA-N	367.861	4.900	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c1OC(F)F	809147057	XMSUWMZRWVSOMJ-YBEGLDIGSA-N	357.356	4.703	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1OC	812249260	YFPOMGVYAGFYHX-NTEUORMPSA-N	360.335	4.738	50	20	FJGD	
CC(=O)Nc1ccc(Br)cc1CO[Si](C)(C)C(C)(C)C	839375959	CRDNPIKSYOAVQD-UHFFFAOYSA-N	358.352	4.929	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)ccc1OC(F)F	918714042	QJSACIZVRGBFEW-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2nc3ccccc3c(C(=O)O)c2C)c1C	1777443715	LPWNWZQFEUCISE-WJDWOHSUSA-N	370.408	4.648	50	20	FJGD	
Cc1nc2ccc(NC(=O)NN(Cc3ccccc3)c3ccccc3)cc2o1	126300384	OATBXHXJEXOVFV-UHFFFAOYSA-N	372.428	4.880	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	160723991	BLJLWWKDFDAFIC-PMACEKPBSA-N	367.493	4.531	50	20	FJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1cccc2cnccc12	178485198	HUNXOINBMZSKPP-UHFFFAOYSA-N	368.440	4.760	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc(-c2ccccc2)nc1C	181290660	MBEIQTCGHKXTQE-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
Cc1cnccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181320051	WOJPUSSMOBAGBW-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
C[C@H](CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C[C@@H](C)O	181780219	OFZWXJHSAHAGFZ-VHSXEESVSA-N	362.364	4.873	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)c(C)c1	212133314	VOQXSOQFSRIZDN-WQLSENKSSA-N	361.264	4.673	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OC	212595578	NTYWMUABNOOREN-VBKFSLOCSA-N	368.408	4.559	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1)c1ccccc1	255831686	NZVJDKWCEMZMBR-NWFCWYBLSA-N	365.483	4.656	50	20	FJGD	
O=C(Cc1cccnc1)NN=Cc1c2ccccc2c(Cl)c2ccccc12	728785742	PIUQFULAHDRQBV-UHFFFAOYSA-N	373.843	4.734	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3nccc4sccc34)oc12	734248519	VSXOQNVMHRBHJR-UHFFFAOYSA-N	351.431	4.725	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H](OC2CCCC2)c2ccccc2)c(C)c1	743765079	YWNVTPAWVVRWLQ-OAQYLSRUSA-N	352.478	4.755	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccccc3Cl)o2)c(C)c1	748302391	ORTLPPGFROSYJX-UHFFFAOYSA-N	370.836	4.886	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)o1	751514488	MOOJBSDJLBSDSX-YRNVUSSQSA-N	364.184	4.553	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1scnc1C1CCCC1	759970723	MLRXUEPMSDHELR-UHFFFAOYSA-N	356.278	4.864	50	20	FJGD	
CCC(CC)n1nc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1C	776457298	SZBPYHUYLZYYTQ-UHFFFAOYSA-N	371.872	4.511	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)c1cccc(C(F)(F)F)c1	780373421	FQXACGBYFQSKHI-DDHXKYOOSA-N	372.302	4.960	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc3c(OC(F)F)cccc3[nH]2)cc1	780809214	PKWKLLADMWOTKQ-UHFFFAOYSA-N	373.403	4.824	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1	789892964	MNRRDPJABBASGD-MHWRWJLKSA-N	350.805	4.513	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)c1ccc2ncccc2c1	794885404	RHYBVMVWVKOJEZ-NVNXTCNLSA-N	368.314	4.765	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(NC(=O)CC(C)C)cc1	799385347	XHFPEMBYYQAQIX-UHFFFAOYSA-N	368.481	4.691	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2csc(C)n2)cc1	799754974	SBSPSDFWLBKTQB-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nc2ccccc2cc1Cl	811448443	WXIRJFJCDNVUAV-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CC(C)(C)NC(=O)c1cccc(NCc2ccc(OCCCCl)cc2)c1	811470038	RASHMLVYHSZSSK-UHFFFAOYSA-N	374.912	4.835	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244533	DFCHVCYMFXJRDS-XFFZJAGNSA-N	351.309	4.666	50	20	FJGD	
O=C(NN=C1CCCC[C@@H]1C1=CCCCC1)c1cc(Br)c[nH]1	814780548	YDQSJCJPJCHEMH-CQSZACIVSA-N	364.287	4.554	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)nc1	843123104	ZKFXRRGVKSJUAC-XDHOZWIPSA-N	362.477	4.859	50	20	FJGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)C1CCC(F)(F)CC1	862518735	GQLRLNVMKPOAAG-UHFFFAOYSA-N	360.404	4.534	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)cc1	918714222	XMRFCQWCSCVBEX-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cc(F)c(C(=O)O)c(F)c2)cc1	1776271613	GZFCQOCKCFRBCN-RIYZIHGNSA-N	369.367	4.750	50	20	FJGD	
CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	7968747	HATCBYHMXCCICC-KEBDBYFISA-N	363.461	4.509	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)s1	14177324	AWRBHOJSIATJPD-UXBLZVDNSA-N	367.257	4.918	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O[C@H](C)C#N)cc2)cc1	208005256	PIFAQDPDCCIEFD-HDAKKWKLSA-N	373.456	4.866	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)c1ccco1	212653576	MIMDITUZIREVNS-YBEGLDIGSA-N	365.820	4.585	50	20	FJGD	
Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	365180876	LUBVSVHVGBNUDM-QWHCGFSZSA-N	367.343	4.820	50	20	FJGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)c1cnc2ccccc2n1	588580885	TYVQVLVWIVLZSA-CPNJWEJPSA-N	364.408	4.668	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)cc1Cl	741853499	ZKRLLNYHFLRYSH-WQLSENKSSA-N	370.767	4.780	50	20	FJGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743672857	FYMJVSAFCPVBRJ-JKSUJKDBSA-N	368.481	4.514	50	20	FJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	746510254	KLEUSVODRNWXRB-OUKQBFOZSA-N	358.850	4.874	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@H](Sc1ccc(F)cc1)c1ccccc1	748098992	PSSUHEUGEWQNNN-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)noc3C)c2C)cc1	748639000	ZGYJBORUOLUQFX-ODLFYWEKSA-N	374.444	4.553	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc2cnccc12)c1ccccc1C(F)(F)F	748773327	LHOQRMWAEJTRMS-ZDUSSCGKSA-N	373.378	4.891	50	20	FJGD	
CC(C)CC(=O)NNC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	757603212	INWXQHLWKWSBPL-HNNXBMFYSA-N	371.506	4.739	50	20	FJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)c1nc(-c2ccccc2)no1	768467497	PUTOUBIEOQIKJH-MOSHPQCFSA-N	350.381	4.863	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(-c2cc[nH]n2)c1	775784565	KEYTVIQHRMRAEJ-UHFFFAOYSA-N	362.220	4.532	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c2c(c1)C[C@H](C)O2	797406254	QVZJCFHREFPKMH-QNKXHIPISA-N	354.475	4.837	50	20	FJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1ccc(Cl)nc1	799477251	MWFLIPIVPMMFMW-UHFFFAOYSA-N	368.868	4.690	50	20	FJGD	
O=C1CCCc2c(cccc2OC(=O)CCCC[C@@H]2CCSS2)N1	803084902	RCDDHNQXPOAQCM-CYBMUJFWSA-N	365.520	4.581	50	20	FJGD	
N#CSCCCNC(=O)c1cc(Cl)ccc1Sc1ccccc1	819699313	ZIWICLSEDNHZEU-UHFFFAOYSA-N	362.907	4.825	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(/C#N)c1nc(C2CC2)cs1	843264866	KNCNIXMKGBDOSW-ZDLGFXPLSA-N	360.486	4.946	50	20	FJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1ccc(F)cc1	912710033	FRDMKLIFERHFPF-QPIMQUGISA-N	358.722	4.654	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(NC(=O)C2CC2)c1	44859941	VWULJAKPXDZXNN-MRXNPFEDSA-N	364.536	4.688	50	20	FJGD	
O=c1[nH]c(CSCCCCl)nc2scc(-c3ccc(F)cc3)c12	180967493	XRKSGFLBLJGQIP-UHFFFAOYSA-N	368.886	4.653	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc(C)c1O	213183796	FWAUDGAAVJONSF-AUWJEWJLSA-N	350.805	4.934	50	20	FJGD	
Cc1nnc([C@H](C)NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[nH]1	287359571	ZZGFJFJLRVTTDZ-ZETCQYMHSA-N	371.335	4.653	50	20	FJGD	
CCn1ccnc1[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	377224832	VSDCGORPGUTKKH-HZPDHXFCSA-N	367.584	4.671	50	20	FJGD	
N#C/C(=C\c1sccc1Br)C(=O)Nc1ccccc1Cl	588467576	UXYSCYCFKOUNQN-VQHVLOKHSA-N	367.655	4.710	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)c1cnc2ccccc2n1	588580672	OBUBXTAQBWQDEA-DHDCSXOGSA-N	357.804	4.533	50	20	FJGD	
Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c(C)n1C1CC1	727781629	SZNJRSXWUUTCJX-UHFFFAOYSA-N	350.249	4.511	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1C[C@@H]1c1cccc(Cl)c1	729515062	VAKNSMFNPSMLKQ-CVEARBPZSA-N	372.255	4.788	50	20	FJGD	
Cc1cc(C=NNC(=O)C(C)(C)c2ccccc2)ccc1Oc1cccnc1	732711698	HJMLIMBMHYXMSD-UHFFFAOYSA-N	373.456	4.610	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)c1	734729064	LIVYCZKEQVAXEG-YDRQLGOLSA-N	373.355	4.508	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1Cl	734752699	JSFGYPAFFNLPMJ-RVDMUPIBSA-N	364.792	4.713	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC)c2ccc(F)cc2F)cc1	737936069	NAFTYTHONRBXOY-WLEBTQASSA-N	370.399	4.538	50	20	FJGD	
Cc1nn(C)c2ncc(/C=C(\C#N)c3nc4cc(Cl)ccc4s3)cc12	750904295	HUWTXVSNYPDZPB-LFYBBSHMSA-N	365.849	4.604	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn2ncccc12	765496564	AZNREWCRHKHPAK-UHFFFAOYSA-N	364.299	4.639	50	20	FJGD	
CCCCOc1ccccc1/C=C(/C#N)c1nc(C(=O)OCC)cs1	767352547	WAEXMWWNAQFXDB-PTNGSMBKSA-N	356.447	4.563	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C)nc2Sc2ccccc2)c1	768231447	NWRBVPZFVBQFNW-UHFFFAOYSA-N	367.449	4.746	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144351	KMQDNKXIHQLVCD-YFHOEESVSA-N	355.312	4.704	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCc2c(Cl)cccc21	775650041	OGFQNUKVCSYBDK-GFCCVEGCSA-N	354.759	4.532	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)n1	777883711	CALUPRHEOTXLTK-UUASQNMZSA-N	374.391	4.779	50	20	FJGD	
Cc1cc(Br)ccc1C(=O)NNc1ccc(C(C)(C)C)cc1	780806566	YYZGJTPGWPTSFT-UHFFFAOYSA-N	361.283	4.812	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1)c1ccccc1	787176461	BUDXEOQDGDFYAP-UKQGIEBLSA-N	355.441	4.718	50	20	FJGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)C(=O)c1cc2ccccc2s1	788362803	OHDMKOUQXKCQMW-QPEQYQDCSA-N	363.829	4.992	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)sc12	809730890	IYSOGCOAWCFJMU-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)c1ccc([N+](=O)[O-])cn1	812244064	DEEXNIKSODXVNL-ZSOIEALJSA-N	351.362	4.922	50	20	FJGD	
CCC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)C1CCC1	839200918	ZOYHPUOCMJMDHW-QFIPXVFZSA-N	355.462	4.559	50	20	FJGD	
CC(C)C[C@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190196	MDIVRUMUCBSTQN-LLVKDONJSA-N	361.380	4.839	50	20	FJGD	
CCOc1ccc(NNC(=O)CCCOc2cccc3ccccc23)cc1	857512150	ITPDALYJFFYHHB-UHFFFAOYSA-N	364.445	4.541	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cs2)cc1	918713025	IQCHBMOFPHZFGD-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(-c2cc3ccccc3o2)n1	920063075	YAIMXWXMJCGYLM-YBEGLDIGSA-N	370.368	4.806	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OC2CCCC2)c1	920065564	WWAQNAGPEWSJKN-GHRIWEEISA-N	362.429	4.562	50	20	FJGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)cs1	1318883461	YYWSVGAJIQBRJH-VIFPVBQESA-N	370.881	4.620	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC(F)F	8244647	SXAUFJYEZPBRFQ-NTEUORMPSA-N	361.319	4.616	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNc1ccccc1	70716535	XKJQYSZFXRDIOE-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccs2)C2CC2)c1C	105868113	NYEWVJDNAALJAT-PDGQHHTCSA-N	367.518	4.675	50	20	FJGD	
Cc1cn(-c2ccccc2)nc1NC(=O)CCCC[C@H]1CCSS1	106852610	IKXTZDOEBSMKKX-INIZCTEOSA-N	361.536	4.833	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(C(F)(F)F)n2)sc2cccc(F)c12	155822860	JCNNXUQUQYJRGI-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1nc(-c2ccccc2)c[nH]1	171909727	OAQGFIQBUMMYMP-WJDWOHSUSA-N	352.397	4.656	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](c2ccccc2F)C1	730553418	ZPLIAIJROOXNLS-LSDHHAIUSA-N	353.528	4.856	50	20	FJGD	
Cc1c(C(=O)NNc2nccc3sccc23)sc2ccc(F)cc12	734249452	AKTOMGQSBRZWKS-UHFFFAOYSA-N	357.435	4.715	50	20	FJGD	
CCOCC(=O)NN=Cc1c(Cl)cccc1Oc1c(C)ccc(C)c1C	734747945	DHGVAQAUDZJNMU-UHFFFAOYSA-N	374.868	4.544	50	20	FJGD	
N#Cc1cccc(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1	748046288	LEIPQWWXPPACIC-UHFFFAOYSA-N	373.378	4.532	50	20	FJGD	
O=C(NNc1ccccc1F)[C@H](Sc1ccc(F)cc1)c1ccccc1	748056299	QWEWYYMVNBDAGI-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)Nc1ccccc1Oc1ccccc1	748994845	TYNDTULYTYRKPV-QINSGFPZSA-N	371.421	4.958	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc[nH]2)c1C	760730000	LLGSNEPCFYNMDZ-VJOZSWGJSA-N	372.472	4.515	50	20	FJGD	
Cn1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc(Cl)c1Cl	768010337	AJYZLOZPUHIOCJ-UHFFFAOYSA-N	371.026	4.535	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c2ccccc21	769725737	MLVNAWOBAMEVMI-LCYFTJDESA-N	374.831	4.981	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c2ccccc21	769727442	SFLDXWCNTKENFN-ATVHPVEESA-N	358.445	4.527	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-]	770568676	JQZZVEVEDAXPJZ-OQLLNIDSSA-N	363.398	4.791	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2ccc(Cl)cc2)s1	778447014	OKPOLTMZZAXWNF-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1F	780004538	NKSPIUSVZPMZPH-NTEUORMPSA-N	361.319	4.616	50	20	FJGD	
COc1ccc2cc([C@H](C)OC(=O)/C(C#N)=C/c3ccc(O)cc3)ccc2c1	784020863	LMBLJUJULSFSRQ-BBJIBYMTSA-N	373.408	4.765	50	20	FJGD	
C=C(CBr)CN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F	791491450	UDWVJJAKGSAHMR-RYUDHWBXSA-N	350.222	4.738	50	20	FJGD	
CN(CCn1cccn1)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792867300	OUNAPEOGWMXTBV-UHFFFAOYSA-N	359.590	4.537	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1	799759335	MLKPBMHRCYLRAV-UHFFFAOYSA-N	373.456	4.567	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1ccc2nc(C(F)F)sc2c1	806699658	YYMRFFPAZWGJMO-UHFFFAOYSA-N	352.341	4.522	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)F)cc(C)c1OCc1ccccn1	834446592	BSRSXZRHUYSUQZ-GZTJUZNOSA-N	352.409	4.502	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)c(C)n1CC(F)(F)F	837055949	PEAWUVWYBLDRNA-UHFFFAOYSA-N	353.388	4.548	50	20	FJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCC(Cl)Cl	837651376	QEWBRZKECKNTAF-UHFFFAOYSA-N	359.322	4.565	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)cc1F	856229240	CQCOJEZXACWXFS-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
O=C(NN=C[C@H]1CC=CCC1)c1cccc(NN=C[C@@H]2CC=CCC2)c1	915904444	XOHBIMOQPQKOLM-MSOLQXFVSA-N	350.466	4.513	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCO3)c1	918712930	DCKJURXLCGWPKC-LZYBPNLTSA-N	353.805	4.518	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)c1C	1317890656	BLZQFUZBYNLPJC-HMMYKYKNSA-N	361.489	4.905	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cc3[nH]c(C(=O)O)cc3o2)cc1	1776271683	XUJYYAURWCXCEA-JYRVWZFOSA-N	362.385	4.546	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)s2)o1	1777433710	XSULQLPWORPQMY-GDNBJRDFSA-N	363.394	4.805	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1F	71923707	MFIVFUIUUZIVQS-SDQBBNPISA-N	354.768	4.759	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2ccc(Oc3cnccn3)cc2)ccc1[N+](=O)[O-]	180572335	SLYWLFSBKDIPPC-BOPFTXTBSA-N	358.357	4.550	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)c1nc2cc(Cl)ccc2s1	194661332	XMCVHXFDZYSBPQ-BJMVGYQFSA-N	357.778	4.628	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1ccc(Cl)cc1F	255143750	WOJBCNLRPAZQAR-GHXNOFRVSA-N	365.738	4.913	50	20	FJGD	
CC(C)c1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cs1	726495188	JGKKNAWESXUJIJ-UHFFFAOYSA-N	364.685	4.984	50	20	FJGD	
O=C(NNc1nccc2sccc12)C1(c2ccc(Cl)cc2)CCCC1	734248036	DTUDJAPMQYUAOT-UHFFFAOYSA-N	371.893	4.905	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCCC(C)C	747612838	KNBASZAYHAFTKI-AQTBWJFISA-N	364.445	4.666	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)Nc1ccccc1Br	747695275	JIYJOFOIGZLSCY-KHCPYNEOSA-N	371.209	4.690	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)CCCCc1nc2ccccc2s1	748548758	ICZYQDHHAFYDQC-UHFFFAOYSA-N	357.454	4.600	50	20	FJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)c1ccc(OC(F)F)cc1	761385063	KFMHGWOZFSDBOU-XFFZJAGNSA-N	374.343	4.827	50	20	FJGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccccc1Cl	773491126	CTLMCDBUAUOORY-HNNXBMFYSA-N	353.853	4.702	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC=C(F)C1	778058437	JKJIPFCRIMFVDB-UHFFFAOYSA-N	367.336	4.592	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)c2)cs1	785046711	PGRHVDZUZIOGIL-SXGWCWSVSA-N	363.417	4.803	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791733238	DNQFRFSXAVQSAX-UHFFFAOYSA-N	366.292	4.592	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc(Cl)ccc1OC1CCCC1	792633772	QHCHKCPTNJBLBV-ATVHPVEESA-N	367.898	4.741	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)CC)ccc1OCC(F)(F)F	794878619	ODNXFKTUKIQGRL-ZROIWOOFSA-N	369.383	4.939	50	20	FJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1cccc(-n2cccn2)c1	811482017	DSSBADJPMPXAHB-KRWDZBQOSA-N	369.896	4.731	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1	813872644	IROBBDZCUZTABU-VBKFSLOCSA-N	359.360	4.559	50	20	FJGD	
O=C(NN=C1CCCCC12CCCC2)c1ccc(Br)s1	814759856	QLMDBYNTJKBTPR-UHFFFAOYSA-N	355.301	4.731	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1ccc2c(c1)CCC(=O)N2C	840722071	GYULIVFHGHVMRP-AQTBWJFISA-N	370.456	4.590	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N(C)CCC#N)cc2)c1C	915860401	VAIVWVAHJJYSBA-HKWRFOASSA-N	374.488	4.655	50	20	FJGD	
CC(C)CCN(CCP(=O)(c1ccccc1)c1ccccc1)C1CC1	917096825	CFYRCBWLDWENTN-UHFFFAOYSA-N	355.462	4.511	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1	920991899	QMRLASWLOFHYBP-SDNWHVSQSA-N	356.208	4.795	50	20	FJGD	
O=C(Cc1coc(-c2ccccc2)n1)Oc1ccc([N+](=O)[O-])c2ccccc12	1319589097	WXTAJZBWZVNYPX-UHFFFAOYSA-N	374.352	4.551	50	20	FJGD	
N#C/C(C(=O)CSc1ccccc1Cl)=C1/Nc2ccccc2S1	25510796	YPOMJXVFYYNQSC-GZTJUZNOSA-N	358.875	4.954	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	63279078	YDLSSPLFVZOGDA-ZDLGFXPLSA-N	371.421	4.533	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccn(C2CCCC2)n1	121851499	VBDZBEGLUWLBDF-UHFFFAOYSA-N	373.671	4.715	50	20	FJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ccccc3F)cc2)n1	152866489	JMHGSCBATPRNLL-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1	171989361	DKCRSJIOKJZKPI-MDWZMJQESA-N	368.339	4.568	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	184338853	HHXPOSSASCQTJA-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc2ccccc12	207845638	YWLKGXHPVFUTKE-VBKFSLOCSA-N	364.351	4.987	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	213361480	OIHQWHBRWZRMIL-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1	726428520	NHDVPGGESJGZSX-ZKMNFCBKSA-N	363.417	4.885	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cnn(-c2ccc(F)cc2)c1	728176236	PSDNNMRENFWHFD-MHWRWJLKSA-N	370.387	4.591	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1	741310223	JJZJRFHOEZUACO-BRFSQIRFSA-N	374.396	4.562	50	20	FJGD	
O=C(NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1	743812236	SLUCCXKLTAJONL-UHFFFAOYSA-N	373.627	4.505	50	20	FJGD	
COc1ccccc1C(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	745154976	FZAFALJJNKYSSN-OAHLLOKOSA-N	367.580	4.803	50	20	FJGD	
O=C(NNc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	748059345	MUZKGNUWFRZHRX-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)O1	757353068	XGYCEZRCBWWMBF-GLXFQSAKSA-N	367.820	4.802	50	20	FJGD	
O=C(NCC1CCCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772919112	TVSDODSTYBTMAY-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2ccccc2)o1)C(=O)c1cccc2c1OCCO2	779703126	CYEBWFXVRXOQRU-SQFISAMPSA-N	373.364	4.633	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1)c1ccccc1	787179291	PMFVCVGIRIUDJD-YMFQVDJJSA-N	371.440	4.825	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1Br)C(=O)c1c[nH]c2ccccc12	794870371	VIMHAWLPICFQEP-FLIBITNWSA-N	369.193	4.859	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1Cc2ccc(F)cc21	796559134	ZMZVDPDNDITTGO-SFHVURJKSA-N	354.450	4.802	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(C(=O)Nc2ccccc2)c1	803361074	IECMTFWXZYSWNM-UHFFFAOYSA-N	373.456	4.567	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cccnc1F	808076956	NHOGRQDIYDGHTB-CYBMUJFWSA-N	364.751	4.692	50	20	FJGD	
O=C1CCCCC[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	813361797	BVXKLLOTSFQYER-VIFPVBQESA-N	363.672	4.629	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CCC#N)C(C)C)c(C)n1C1CCCCC1	813431933	QUFCDORCMDWEJZ-ZHZULCJRSA-N	366.509	4.668	50	20	FJGD	
COc1ccc(-c2nnc(SC/C=C/C#N)n2C2CCCCC2)cc1	839994779	GLADGYPMYQDGDB-AATRIKPKSA-N	354.479	4.631	50	20	FJGD	
C[C@@H](O)CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	847174910	PFHREXRETOKGKQ-SECBINFHSA-N	360.348	4.721	50	20	FJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(C)c(Cl)c1	1318937415	FUTIRCUEXPIIPU-UHFFFAOYSA-N	359.640	4.721	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)cc1	2274713	LFBSOCZDFZSGCK-LGMDPLHJSA-N	358.397	4.809	50	20	FJGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	23708337	QCFKUXFHVXJDBC-SECBINFHSA-N	359.640	4.557	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)c2C)no1	60544235	CHPUZWYUPDBVSV-YBFXNURJSA-N	374.444	4.553	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2OCc2ccccn2)s1	105570618	GFQMOWQTGAYHLW-ATVHPVEESA-N	360.438	4.820	50	20	FJGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1ccc(Cl)cc1Cl	178879351	YRPVATRLMKNWKO-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccc(F)cc1)c1ccccc1	254929968	KQWSUZAZAROYPX-HKWRFOASSA-N	362.404	4.518	50	20	FJGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2cccc(C(F)(F)F)c2)c1	727758736	GJLHOMWUVHVZBT-LLVKDONJSA-N	372.774	4.578	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	731225781	PXELVGWGMHNXMX-HUUCEWRRSA-N	356.347	4.504	50	20	FJGD	
Cc1cc(NNC(=O)CCc2cc(Cl)cs2)ccc1Br	736680491	MGSCXLIHIUQUCI-UHFFFAOYSA-N	373.703	4.548	50	20	FJGD	
CC(C)c1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)no1	743220900	OXOAPLGTTGCBIL-UHFFFAOYSA-N	350.422	4.541	50	20	FJGD	
CC1(C)CCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	749853071	BQENJFBRLBKCTP-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
Cc1c(C(=O)NNc2cc(Cl)ccc2Cl)oc2ccc(F)cc12	752812476	GAOKJRVUQMGPKR-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1c(Cl)cccc1Cl	753314831	BJKXZLCRVFPBIX-VIFPVBQESA-N	368.651	4.765	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(F)c1	772172522	RZIRZTNRZRWDSO-PTNGSMBKSA-N	362.316	4.784	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1OCC	772180554	ZISAUDXBAXYKHA-BOPFTXTBSA-N	353.393	4.803	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2F)c1C	776350344	JGNYAFBEROTCRR-LDADJPATSA-N	353.441	4.898	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)Nc1c(C)cccc1C	787168615	KWJFXSVPYWLFJV-LQHTZKGQSA-N	361.401	4.704	50	20	FJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2cc(F)c(F)c(F)c2)c1	790001227	GRZWUZBEPQZRMB-LBPRGKRZSA-N	366.383	4.530	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)cc2c1	794884814	MHVLFVVOHRBEFM-ATVHPVEESA-N	354.365	4.779	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)[C@H]3CCCOC3)ccc21	794885255	WAKCIJDHWUREMR-KMTKGMGQSA-N	358.441	4.717	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3cccc(Cl)c3)s2)cn1	800791780	VSAUUTMVCIJLJD-MDWZMJQESA-N	353.834	4.592	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)/C(=C/c1ccc(F)cc1)c1cccs1	875906355	HATBCDNEIRPGJE-XNTDXEJSSA-N	374.387	4.849	50	20	FJGD	
CC(=NNC(=O)c1cccnc1)c1ccc(-c2ccccc2Cl)s1	915110528	WUFQZBSWLCDZDM-UHFFFAOYSA-N	355.850	4.618	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1cc3ccccc3o1)O[C@@H](C)C2	916545860	ZDRQAZLOEIUYKX-TVYFDWKESA-N	359.381	4.555	50	20	FJGD	
CCCCC[C@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1	1318225792	HNQGWMHTLZKYKH-SFHVURJKSA-N	373.884	4.606	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(-c2cccs2)s1	1320022263	KGXUGGOAMKGXAR-UHFFFAOYSA-N	354.378	4.651	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CC[C@H]2C[C@H]1CN2	1553311892	DLJNPRJBCKZJKL-KWBADKCTSA-N	371.375	4.606	50	20	FJGD	
CCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1	1967216	MSILDRGKUWJGCL-RCCKNPSSSA-N	369.486	4.902	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(-c3cccnc3)c2)cc1	255633738	QDCWJQTUALQFNS-ZHZULCJRSA-N	369.424	4.693	50	20	FJGD	
Cc1ccc(C2CC(=NNC(=O)c3cc4c(s3)CC[C@H](C)C4)C2)cc1	729816311	HGKQVWXHPOOKEH-LBAUFKAWSA-N	352.503	4.845	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2cc3ccccc3o2)s1	729820729	XGRKUQGSJVWDMN-OQLLNIDSSA-N	373.437	4.993	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1	741470582	RVXWVZKGBJPRRZ-MTOJCTJASA-N	351.402	4.645	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)c1c(Cl)cccc1Cl	751166352	KCFADAQZFFHARI-SECBINFHSA-N	370.188	4.619	50	20	FJGD	
CC(C)c1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	751260498	MSYCBTHIUXTACT-UHFFFAOYSA-N	351.899	4.782	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(Oc2ccncc2)c1	752813452	WPLPWJPPEJRGGL-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)c1nc(-c2ccncc2)cs1	761474986	AZZAMWOBYIDMSI-QPEQYQDCSA-N	366.808	4.933	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1F	767904461	KHYBFBBRASEBQI-LCYFTJDESA-N	367.380	4.634	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H](c1ccccc1)N(C)C	771506343	FXBBFEOAARQTGE-VDZJLULYSA-N	366.596	4.508	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2c[nH]nc2-c2c(F)cccc2F)ccc1[N+](=O)[O-]	774558494	KWMZYSVWIRVNLC-JYRVWZFOSA-N	366.327	4.636	50	20	FJGD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCCC[C@@H]1CCSS1	780757349	WSAWAWAXVDVHPG-FRRDWIJNSA-N	355.491	4.890	50	20	FJGD	
COC1CCC(=NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1	783811399	SSKIPIDWYJRDKY-LBAUFKAWSA-N	362.539	4.574	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C/c2ccc(F)c(F)c2)c(C)c1	794690814	KPKMCNLSINGQBE-MYTPONEHSA-N	352.384	4.992	50	20	FJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1cccc(F)n1	804768754	SXVYKUYCXYWDPS-UHFFFAOYSA-N	353.850	4.523	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(F)n2)c(C)n1-c1cccc(C(C)C)c1	804769041	FNUVEWOXRVULQA-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1cc(Cl)ccc1Cl	806982645	NFUPZFBEPYEAMN-LBPRGKRZSA-N	374.271	4.864	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccccc3C(F)(F)F)sc12	807924400	HIBAIJOYIKPYJC-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](CCC#N)c1ccccc1	813111349	GSATZYXROYIKQQ-IBGZPJMESA-N	350.466	4.790	50	20	FJGD	
C=CCC(C)(C)C(=O)NNc1ccc(Br)cc1C(F)(F)F	815541391	CZMWIERUODUMLA-UHFFFAOYSA-N	365.193	4.513	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cn(-c2ccccc2)nc1C(C)C	819521991	NJXWRXVRBBWLHC-UHFFFAOYSA-N	362.477	4.623	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1coc2c1C(=O)CCC2	887902371	UTLVPCSZLRRROY-UHFFFAOYSA-N	368.458	4.749	50	20	FJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)Nc1ccc(Cl)cc1	913615165	ASHHLBVIEKPFFP-BJMVGYQFSA-N	367.655	4.710	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(F)c2)n1	921262327	UMTUHTUUGHHFAT-IZZDOVSWSA-N	363.845	4.779	50	20	FJGD	
CC1CCN(C[C@@H](C)c2nnc(CCCC[C@@H]3CCSS3)o2)CC1	1118132610	VROXLARTWURGPF-HZPDHXFCSA-N	369.600	4.772	50	20	FJGD	
COc1ccc(-c2ccccc2)cc1C=NNC(=O)c1ccccc1Cl	1332193444	UHZKCSFRBPEJER-UHFFFAOYSA-N	364.832	4.780	50	20	FJGD	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CC)CCC2)cc1	1786258600	ZBQQUVBPTAALKB-YOEHRIQHSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C\c1ccc(CSC(F)F)o1)C(=O)Nc1ccccc1Cl	7159188	HKVWQLQIUQPKOR-JXMROGBWSA-N	368.792	4.934	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(C)n1Cc1ccco1	16968836	VGFKOOAFTULVFE-XDHOZWIPSA-N	370.412	4.860	50	20	FJGD	
CC(=O)c1csc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	106591368	YPWYXTFHGGKHJL-UHFFFAOYSA-N	363.653	4.668	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)s1	212175701	KQOXMNUMQWDZRH-QPEQYQDCSA-N	352.381	4.827	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc2ccccc2c(Cl)n1	748511648	KZJPBHUHILHZNQ-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1OC	751445557	DBLCJKXZIFPYDF-CXUHLZMHSA-N	360.413	4.592	50	20	FJGD	
CC(C)(C)[C@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752972486	KHOHWWJSVQLFSR-NSHDSACASA-N	362.364	4.873	50	20	FJGD	
CC[C@@H]1CC[C@@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)O1	757353076	XGYCEZRCBWWMBF-OLUVUFQESA-N	367.820	4.802	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	764106865	FWRHAJNBADZWBN-DHDCSXOGSA-N	371.371	4.654	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccc(F)cc1	771840526	KPIRLTPJUVGQSG-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1ccccc1OC(F)F	775638620	DRIOIRUNAMURTP-SDNWHVSQSA-N	350.324	4.626	50	20	FJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2cc(C)ccc2C)cc1OCC	783588420	AOAJXCXKXZECRA-UHFFFAOYSA-N	370.493	4.522	50	20	FJGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cn2c1	789128225	OKZWWTZVTRWFQL-MLPAPPSSSA-N	360.804	4.567	50	20	FJGD	
CC(C)OCc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791718577	RXXCDGOQFYCBFN-UHFFFAOYSA-N	353.249	4.675	50	20	FJGD	
Cc1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n(C)n1	794288952	ILLPHEHSYGRYCH-UHFFFAOYSA-N	370.347	4.708	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl	806565833	SMZPRWUHXRYHFD-OQFOIZHKSA-N	374.149	4.886	50	20	FJGD	
COc1cc(C(=O)NNc2ccc(Cl)cc2)ccc1OCCC(C)C	866002789	IEUDKVHRKOGPSY-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	874834075	OVEWXPNRBKMISB-ZIAGYGMSSA-N	370.387	4.653	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(Cl)cc2Br)c(C)c1	133636238	XGHBSJJDOLKUOA-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186149244	KPNQQRBNNTTZSM-AWEZNQCLSA-N	371.375	4.810	50	20	FJGD	
C[C@@H]1OCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1C	192255813	MVZANUGLLPKJON-UWVGGRQHSA-N	360.348	4.985	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	212650829	KKUNXCMTRKEDJG-QPEQYQDCSA-N	360.244	4.605	50	20	FJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C)c1cccnc1	729654111	BAJJEXRVYINOHD-DEDYPNTBSA-N	364.493	4.506	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1OC(F)F	735620326	XGLDIWSFKPKUMH-MDWZMJQESA-N	355.344	4.546	50	20	FJGD	
CC1(C)CCC(=NNC(=O)c2ccc(Br)cc2Cl)CC1	735971603	NKOFILZUCOFDPB-UHFFFAOYSA-N	357.679	4.789	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	742042077	INSNGZXHRLRKGL-HUUCEWRRSA-N	355.652	4.894	50	20	FJGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)n12	748996826	AXSNAFUOLPZBAM-QPEQYQDCSA-N	360.804	4.567	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cnn(-c2ccccc2F)c1	755597808	BKJGLVKUZBZKJO-CQSZACIVSA-N	365.499	4.664	50	20	FJGD	
COc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1Cl	769926088	WPLGNMGXABLZOS-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
CSc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1C	774634999	MWCREIQSEQJQFT-UHFFFAOYSA-N	369.939	4.689	50	20	FJGD	
C=CC[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccccc1	779025538	XKHSKQXYDXNPFF-CQSZACIVSA-N	352.331	4.648	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(Cl)cc(Cl)c1	782178719	HXCZRIDMEGXBOH-BAQGIRSFSA-N	368.201	4.509	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2nc(C(F)F)[nH]c2c1	791727260	UJMULLSJCSKTFS-UHFFFAOYSA-N	371.174	4.564	50	20	FJGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	794870377	VKGXONVSVRUNIU-VKAVYKQESA-N	372.428	4.802	50	20	FJGD	
CC(F)(F)CCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016035	CONLBLYBXUDEQD-UHFFFAOYSA-N	364.236	4.603	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H](C)CN1	841179280	MUOKXVNSBZOTJE-VHSXEESVSA-N	359.364	4.558	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OC1CCCC1)c1ccccc1	920065518	UAFWTXMRVIDPEQ-SWEXZPIWSA-N	360.457	4.792	50	20	FJGD	
Cc1ccc(NNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)cc1Cl	1325910964	IBYFKMKWRIYVKH-UHFFFAOYSA-N	367.261	4.510	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)c1nc(-c2ccc(C#N)cc2)cs1	66407917	VVCXGWOQKJOFKP-MFOYZWKCSA-N	371.421	4.517	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1nc(-c2ccncc2)cs1	108969189	XWBPSZRXRYFSCB-ZDLGFXPLSA-N	367.437	4.726	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc(OC(F)F)cc3)oc12	123116639	RUWDVFCWNUGTPW-UHFFFAOYSA-N	360.360	4.716	50	20	FJGD	
Cc1cccn2c(/C=C(/C#N)c3nc(-c4ccc(C#N)cc4)cs3)cnc12	125350175	CQNRITMATOFNIR-MFOYZWKCSA-N	367.437	4.702	50	20	FJGD	
O=C(NNc1ccnc2ccccc12)c1cncc(-c2ccc(Cl)cc2)c1	136774852	UERCHKIGMKCVMA-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)s1	186920772	KEAYDLMHAQLPLF-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cnn(-c4ccc(F)cc4)c3)c[nH]c2c1	728175677	FBCJUJDHOPEKBH-CXUHLZMHSA-N	370.387	4.591	50	20	FJGD	
COCCCOc1cccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	730149134	TYDZUPFSDLRUFZ-GDNBJRDFSA-N	368.433	4.915	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1F	731489616	IHSAXEQYAJHXPF-VIZOYTHASA-N	364.342	4.905	50	20	FJGD	
Cc1c(C(=O)NNc2ncccc2C(F)(F)F)oc2ccc(Cl)cc12	740097216	KWDZZZOXOTYVNL-UHFFFAOYSA-N	369.730	4.565	50	20	FJGD	
CCCC(=NNC(=O)c1ccc(N)cc1)c1ccc(Cl)c(Cl)c1	746676664	IJQZRXNPNYEDJP-UHFFFAOYSA-N	350.249	4.510	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2nc(C(C)C)n3ccccc23)c(C)c1	755627534	VBZIVRDMJOYANK-SFQUDFHCSA-N	358.445	4.620	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccc(Cl)c3cccnc23)c2ccccc2n1	760224459	NTNLSDKTEXFLKC-UHFFFAOYSA-N	374.831	4.509	50	20	FJGD	
Cc1oc(-c2ccccc2)nc1COC(=O)[C@H](Br)C(C)(C)C	766749629	CQJBYHDUYJWCPA-AWEZNQCLSA-N	366.255	4.503	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1F	779753007	UJTLGARNFRHKRJ-NTEUORMPSA-N	358.800	4.732	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)c1c[nH]c2cc(F)ccc12	782887213	JBOGDFRZVKEKNA-ACAGNQJTSA-N	366.779	4.685	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(C)cc1)c1ccccc1	787179306	PRMFVLMGXUWRRG-YMFQVDJJSA-N	370.456	4.560	50	20	FJGD	
Cc1nnc([C@@H](C)NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)o1	792877012	GYRWDIKIKBDVKC-CQSZACIVSA-N	361.562	4.751	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cscc2Br)c(C)c1	794688328	LUVPFCCWDCIOJJ-WUXMJOGZSA-N	361.264	4.673	50	20	FJGD	
COc1cc(OC)c(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(OC)c1	794707819	NHLLZVSADSFGRG-WDZFZDKYSA-N	370.405	4.525	50	20	FJGD	
N#C/C(=C\c1ccc(SCc2ccccc2)cc1)C(=O)[C@@H]1CCCOC1	794884500	PVWOVZADFXIHJF-CVNFFVDQSA-N	363.482	4.882	50	20	FJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(-c2ccccc2)cc1	798142591	TZXZWDBTSDXNOF-UHFFFAOYSA-N	366.852	4.677	50	20	FJGD	
ClCCCOc1ccc(CNC[C@@H]2CCCO[C@H]2c2ccccc2)cc1	811475442	FOFHKLYVYMVJPR-UNMCSNQZSA-N	373.924	4.952	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)ccc1OC	812247143	ZMFKHBBOIYSDHR-ZROIWOOFSA-N	362.351	4.962	50	20	FJGD	
O=C(/C=C/c1ccc(OCCCCl)cc1)c1cc([N+](=O)[O-])ccc1F	814192023	WSRFRBWTZYBENG-RUDMXATFSA-N	363.772	4.638	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCSc1nncn1CCc1cccs1	840144591	QAEHGGMGUUCCOT-UHFFFAOYSA-N	369.632	4.696	50	20	FJGD	
COc1ccc([C@@H](NC(=O)CCCC[C@@H]2CCSS2)C2CC2)cc1	913498000	LYGFFBZIUKHCOT-MJGOQNOKSA-N	365.564	4.977	50	20	FJGD	
C[C@H](Sc1ncccc1Cl)C(=O)/C(C#N)=C1\Nc2ccccc2S1	913608938	MGKKRKZTVJDATQ-ADHQNKHFSA-N	373.890	4.738	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc(-c2cccs2)[nH]n1	918391129	JBPFEWNFJFIHKJ-LLVKDONJSA-N	353.538	4.791	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@@H](C2CC2)CC1	1551177889	DUUNQZGUKLRJCK-CQSZACIVSA-N	371.371	4.985	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc3oc(C(=O)O)cc3c2)c(C)c1	1776122301	ODIRFMABSIPWFX-MFOYZWKCSA-N	374.396	4.602	50	20	FJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1	1786444850	ZPIDRASNOHDODY-KRWDZBQOSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)Nc1cccc2ccccc12	59404838	GGVJYQCVJJJPGC-JXAWBTAJSA-N	370.408	4.547	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCOC2(CCCCC2)C1	160570170	CGVBIVQWHITPDS-CVEARBPZSA-N	357.585	4.699	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(-c2cccs2)nc1C	181318146	PIBBHAZDJWODOD-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3ccoc3C)cs2)c1	192755498	DTOASCWGEBEDCT-RIYZIHGNSA-N	350.399	4.510	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	211588539	NIOJGURIWKJKIO-RGEXLXHISA-N	365.392	4.896	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(F)c(Br)c2)c1C	727654506	GWSRAHIMYLYVMZ-RIYZIHGNSA-N	358.210	4.995	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c2c(c1)C[C@H](C)O2	727743673	GLQYOAOKUKUMCE-OLWAXZHHSA-N	372.424	4.598	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	733083712	PKABHQWNLLQNEI-NTUHNPAUSA-N	355.419	4.631	50	20	FJGD	
Cc1ccc(-c2ncc(C=NNC(=O)C(C)(C)c3ccccc3)s2)cc1	734298683	CHXFCBZZNANJLK-UHFFFAOYSA-N	363.486	4.546	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OC2CCCC2)cc1	734304261	GGSAHFGXWANEAD-XSFVSMFZSA-N	360.457	4.540	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Br)cc2F)s1	748185329	SNMMEMYYZINKSZ-UHFFFAOYSA-N	371.275	4.704	50	20	FJGD	
CCN(C[C@H](C)C#N)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	751336666	KHTJZBVVPSPWMH-SDLDRHLBSA-N	366.509	4.525	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl	753303352	UJBBKJDKEDLIBL-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc[nH]2)c(C)n1C1CCCCC1	760726271	CFEDMBHJWANJDE-CXDFQFJYSA-N	364.493	4.723	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761395189	ZXXXEEBITCHWAF-FLIBITNWSA-N	365.191	4.687	50	20	FJGD	
Cc1coc(-c2ccc(C)c(NC(=O)[C@H](Br)C(C)(C)C)c2)n1	768256057	YNZRRTYLLANZPF-AWEZNQCLSA-N	365.271	4.707	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)c1cc(-c2ccccc2)ccc1Cl	772877972	SJABUXVUFAYRIQ-UHFFFAOYSA-N	366.852	4.677	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)c2cc(SC)ncn2)cc1OCC	773177651	WODLAFJEHAKPSW-MHWRWJLKSA-N	369.490	4.840	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-]	774561176	PGNMASYLIIKLQB-WUXMJOGZSA-N	366.270	4.825	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C1(c2ccc(F)cc2F)CCC1	776729096	HDNPGXARFOWDIU-UHFFFAOYSA-N	370.321	4.549	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1	777465027	XNNZVMDXQOPPAP-MRXNPFEDSA-N	373.378	4.891	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(-c3ncco3)cc2)cc1	780621661	XQAKHQRCDNPRAG-UHFFFAOYSA-N	350.422	4.788	50	20	FJGD	
O=C(NN=Cc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1F	781592757	JNVXSTFYKWJXAA-UHFFFAOYSA-N	358.772	4.558	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1	790600776	FULGXBRLHCAVEV-WQLSENKSSA-N	359.882	4.948	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1NC(=O)C(C)(C)C	794927245	DXPOMFFOFDDAMY-UHFFFAOYSA-N	367.493	4.860	50	20	FJGD	
CCCN(N=Cc1ccc(OCC(F)(F)F)cc1)C(=O)OC(C)(C)C	794995408	ITBVYTIQBHDQMH-UHFFFAOYSA-N	360.376	4.609	50	20	FJGD	
C=C(CBr)COC(=O)c1csc(-c2ccc(Cl)cc2)n1	795407568	XBJFUNIZOOJZIM-UHFFFAOYSA-N	372.671	4.571	50	20	FJGD	
CCO[C@@H](C)c1nc(CN(C)CCO[Si](C)(C)C(C)(C)C)cs1	808730446	GWSWMNISFWDEBU-AWEZNQCLSA-N	358.624	4.694	50	20	FJGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)C1	814741742	NEONPAVTPCMWTG-INIZCTEOSA-N	372.509	4.603	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1csc(-c2ccc(F)cc2)n1	899892110	CNRHMKHDLXHSME-UHFFFAOYSA-N	372.377	4.693	50	20	FJGD	
Cc1cc(C(=O)NN=C(CCc2ccccc2)C(C)C)c2ccccc2n1	917533779	MBPZMOUPHIRRHO-UHFFFAOYSA-N	359.473	4.918	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCO2)C(=O)c1cc(Cl)cc(Cl)c1	921138287	CITZJERSHDYROW-MLPAPPSSSA-N	360.196	4.554	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	33471248	OUNFYIITDWQAAE-ATVHPVEESA-N	352.390	4.846	50	20	FJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)C(C)(C)C)cs1	54895915	PAAFFFAMEDVCCN-XNTDXEJSSA-N	367.474	4.658	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(COc3ccc(C)cc3C)o2)c1	97106073	DDVUFZBEKPBVSZ-UHFFFAOYSA-N	350.418	4.541	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cnn(-c3ccccc3C)c2C(C)C)c1	189670733	MQVZXUKWSGLZDT-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3ccccc3[N+](=O)[O-])cc2C1	302683539	CHEWWOJTTLGHNA-CYBMUJFWSA-N	373.478	4.564	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(N(C)C(C)C)nc1	588577785	PVKKLKHTDZYNRE-BOPFTXTBSA-N	358.445	4.506	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H](c1ccccc1)[C@H]1CCCO1	726537038	DPTVKUJMMHUUOR-ZHALLVOQSA-N	365.564	4.737	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2[N+](=O)[O-])c1C	739899809	VAPYPCZVFGPUFH-DHDCSXOGSA-N	369.808	4.642	50	20	FJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1	740763401	BINWVPOHOUTFOX-LCYFTJDESA-N	351.768	4.573	50	20	FJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1ccccc1	747988407	YPYFCAYKDDRHOE-UHFFFAOYSA-N	353.491	4.789	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NC(=S)NCc2ccon2)c1	762444779	PRYICMRSOJBQRW-UHFFFAOYSA-N	359.345	4.819	50	20	FJGD	
CC(C)(CCCCCl)c1nc(O)c2cc(Br)ccc2n1	766290844	ZFYRKJBWNOPXRV-UHFFFAOYSA-N	357.679	4.785	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773154721	ZKJCKFUOGNEURV-VZUCSPMQSA-N	355.237	4.913	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c1OC	780375816	ZWBWAOCUKXBSHD-ZROIWOOFSA-N	361.319	4.512	50	20	FJGD	
Cc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc2cccnc12	783700249	KUVNRGFBDDSPTQ-WQRHYEAKSA-N	368.845	4.535	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1cccc(C(F)(F)F)c1	806391744	HXXHQHQJSMYCCK-CYBMUJFWSA-N	373.378	4.576	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)c1cccc(Cl)c1	811628376	VQRAUWPWLNMYRX-UUILKARUSA-N	351.711	4.854	50	20	FJGD	
CCOC(=O)Nc1ccc(NC(=O)NNc2ccc(C(C)C)cc2)cc1	836278057	HMYWQHGAWCVEAE-UHFFFAOYSA-N	356.426	4.527	50	20	FJGD	
CCOC1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1	853280151	GPSNFLYTAWONDC-UHFFFAOYSA-N	360.454	4.619	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc2c1CCOC2	901851500	UWHSFCYELIRORA-UHFFFAOYSA-N	366.486	4.710	50	20	FJGD	
Cn1c(/C(C#N)=C/c2cc(Cl)ccc2OC(F)F)nc2ccccc21	915983895	XXBXGSAHJBUMTN-XYOKQWHBSA-N	359.763	4.892	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OCc2cccs2)c(OC)c1	917600972	JORWCQVCWDLVNM-WJDWOHSUSA-N	371.458	4.586	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2sc(CC)cc2C#N)c1C	917880584	MQRDHVGPYOPABL-CXUHLZMHSA-N	366.490	4.556	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OC1CCCC1)c1ccccc1	920065513	UAFWTXMRVIDPEQ-AWZALFRUSA-N	360.457	4.792	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(-c3ccccc3)cc2)nn1	1318853937	RAZNLVLZWMOQRA-UHFFFAOYSA-N	361.449	4.590	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3)c2)c1C	8199951	IHIQUOXTAAHNRU-CIAFOILYSA-N	372.472	4.550	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1sc2cc(F)ccc2c1Cl	110962195	XPKLUYDGJGZQIE-UHFFFAOYSA-N	374.746	4.868	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1nc(-c2ccccc2)oc1C1CC1	120469262	JLYWEYVHYGJTPM-UHFFFAOYSA-N	373.456	4.855	50	20	FJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccc(Cl)c(F)c1	175403972	BSKFIHNZBCBOGE-UHFFFAOYSA-N	365.795	4.775	50	20	FJGD	
CCC(C)(C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181608771	VBPCDTHQKATFQU-UHFFFAOYSA-N	353.378	4.811	50	20	FJGD	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)CCCC[C@H]1CCSS1	181731428	IOVLCODTPCDJFQ-LBPRGKRZSA-N	363.470	4.776	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc2ccccc2o1	209643763	AFTSIPIZBJBRPI-ZROIWOOFSA-N	366.804	4.949	50	20	FJGD	
CNC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1	212077352	XGZASUIPRZGHFV-MNDPQUGUSA-N	353.425	4.809	50	20	FJGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	255531911	FRKGMWRQTRBAFI-VGOFMYFVSA-N	357.196	4.686	50	20	FJGD	
CCCOc1c(/C=C(/C#N)c2cnc3ccccc3n2)cccc1OCC	588580147	BSDNUPZJMOKDNG-LGMDPLHJSA-N	359.429	4.881	50	20	FJGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)C(=O)NCCCOC(C)C)c1	729644246	UABTZDIJFZRDKK-QNGOZBTKSA-N	362.473	4.500	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2cc(F)ccc2s1	730150907	MVKVGLPUTAXPHD-LZYBPNLTSA-N	360.417	4.744	50	20	FJGD	
Cc1cccc(NNC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1	731784490	VUZCRWYDVBGIBF-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@H]1CCSS1)Oc1ccccc1Cl	742140901	JUXOADUHRQILFK-KBPBESRZSA-N	373.971	4.938	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)ccc1OC	747034461	SERLLSAAELWUTL-WOJGMQOQSA-N	373.412	4.764	50	20	FJGD	
C[C@H](C(=O)NNc1cccc2cnccc12)c1c(Cl)cccc1Cl	748769634	JZAUXNONGYVSNV-NSHDSACASA-N	360.244	4.788	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F	752143690	KEZSVFNGTNEKMD-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cc1Cl	753315633	JRCYTTUPLGVYPS-RTBURBONSA-N	361.832	4.612	50	20	FJGD	
CC[C@H]1CCCC1=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	758370486	DVZIMRMIXDRBEM-NSHDSACASA-N	361.898	4.947	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)c(Cl)c2Cl)n1	761387829	YNLAALFMQKQTET-WEVVVXLNSA-N	371.220	4.830	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)no3)cc2c1	763277048	LJFMJWBRVLUBTB-LFIBNONCSA-N	357.369	4.864	50	20	FJGD	
COc1cc(/C(C#N)=C/c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-]	766777130	CZCMGGHSZQESRU-XNTDXEJSSA-N	363.398	4.791	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c(-c2ccccc2)n1	773146000	VPLSZIDTDKWKOY-OQLLNIDSSA-N	365.795	4.669	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccccc1CC#N	776781077	WSNHOBYLOFSFOV-UHFFFAOYSA-N	363.486	4.632	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1F	780004539	NKSPIUSVZPMZPH-ZROIWOOFSA-N	361.319	4.616	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c(OC)c1	780527534	OEMOSNKXHLRWSF-RIYZIHGNSA-N	361.319	4.512	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nc2ccccc2cc1Cl	810561989	CQRQJJIQVBNULZ-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
ClCCCOc1ccc(CNCc2ccccc2N2CCCCC2)cc1	811486821	IOFBVPBACIZWMB-UHFFFAOYSA-N	372.940	4.974	50	20	FJGD	
Cc1c(C(=O)/C=C\c2ccc(OCCCCl)cc2)c(C#N)c2n1CCC2	811689835	NCIWDILTYRIMSB-YFHOEESVSA-N	368.864	4.518	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nc(-c2ccccc2F)oc1C	812765214	ZUGHYXVAXQDCCC-UHFFFAOYSA-N	367.424	4.978	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2cccc(Cl)c2Cl)c1C	839067727	ZMNYKNUCAFWMEZ-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H]2CC[C@@H](O)[C@H]2C1	887960432	UXSVBOBRGUYVNW-JIMOISOXSA-N	372.359	4.579	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1OC	921138468	MYHFLWRJNWXBBT-ACAGNQJTSA-N	362.212	4.800	50	20	FJGD	
C[C@H](NC[C@H](CBr)C1CC1)c1nc2ccccc2n1C(F)F	1329798482	PICOKUDBJGWYGO-JQWIXIFHSA-N	372.257	4.503	50	20	FJGD	
CN(C(=O)c1cccc(CCl)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	1338949559	JFFOIJPLLUOAPG-MOPGFXCFSA-N	361.844	4.557	50	20	FJGD	
N#C/C(=C\c1c(F)cc(C(=O)O)cc1F)c1nc(-c2ccccc2)cs1	1777565703	MYJAGHBWBZTNGX-AWNIVKPZSA-N	368.364	4.851	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1	20621054	JSHSVBPXYSZSQE-KPKJPENVSA-N	358.829	4.802	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1nc2ccccc2s1	41980520	RKNUFZRBPHRVSP-CYBMUJFWSA-N	366.577	4.669	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1	57395533	UBTYSTKNWGZCOF-IZZDOVSWSA-N	352.262	4.529	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CCC#N)c2ccccc2)c1C	178703184	OASNXVZSGMMMMT-VAZXNAHHSA-N	374.488	4.583	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](Oc2cccc(F)c2)C1	185200776	NQDMNGFYSGNZOZ-IAGOWNOFSA-N	369.527	4.520	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1	188127871	FTZOTXPXWZTTCS-SAPNQHFASA-N	355.397	4.681	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1OC	209261771	WGWKDPHOPHZMND-MHWRWJLKSA-N	363.442	4.677	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc2c1OCO2	212024283	JZXRCQLUBZKIAO-CHHVJCJISA-N	362.410	4.612	50	20	FJGD	
C/C(C=NNC(=O)CSc1nc2ccccc2s1)=C/c1ccccc1	252599925	DMWCZPNFMIFLEI-KYUMQKFESA-N	367.499	4.594	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)c1ccccc1OC(F)F	588384659	YYMAFJGSOVJOLN-WQLSENKSSA-N	365.282	4.679	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728782831	WAIOIHOOFHRUHA-NSHDSACASA-N	365.658	4.622	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]1CCO	752982269	MDCASBWMKNDVBG-LLVKDONJSA-N	360.348	4.723	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](c2ccc(F)cc2)C1	755551993	GZLDQXORHVLEMI-NVXWUHKLSA-N	353.528	4.856	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)C(=O)Nc1ccccc1F	761377880	WGOPKAQUGHNDIX-JXMROGBWSA-N	353.155	4.817	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc(COc2ccccc2)o1	774344748	VJKXLPGWAWHQFS-UHFFFAOYSA-N	368.355	4.697	50	20	FJGD	
C#C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCO1	775776507	GJAFNDRKFTVDBV-QWHCGFSZSA-N	370.343	4.646	50	20	FJGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	783788787	XUXXPCSFARKTAS-CVEARBPZSA-N	372.472	4.839	50	20	FJGD	
N#Cc1ccc(C(=O)NN=C2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1	799479341	NYPWLDGIVLNYKU-INIZCTEOSA-N	371.362	4.631	50	20	FJGD	
CO[C@@H](C)c1nc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)cs1	844346684	CHDDEQFVWUPEKA-HOCLYGCPSA-N	370.635	4.837	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)ccc2OC)cc1	915852768	LFLGAZXRNPDKFF-BRYHAGSVSA-N	364.445	4.763	50	20	FJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1cccc(Cl)c1	917005940	ILOFCXKGSYLPER-UHFFFAOYSA-N	358.850	4.834	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1	920298313	NIQDULKESXXTFW-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1nc(C(C)(C)C)cs1	1320475663	CSSHUMNAUORDLA-SECBINFHSA-N	370.881	4.620	50	20	FJGD	
Cc1ccc(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1Cl	1326288809	YBTPBKSSMXOCIQ-AWEZNQCLSA-N	356.775	4.828	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c(Cl)c1OC	107066641	MSXHXOGUPPWCSE-GDNBJRDFSA-N	370.836	4.520	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cnn(CCCl)c3)n2)cc1	116796598	AZWRSEXUWJNDBO-PXNMLYILSA-N	354.866	4.618	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc(C(F)(F)F)cn3)oc12	132262947	FLNSCTBQVKGSHM-UHFFFAOYSA-N	363.339	4.529	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnc2ccccc2n1	175637636	HVXMUVPJMGPSJD-UHFFFAOYSA-N	362.458	4.580	50	20	FJGD	
C[C@@H]1OCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H]1C	184421173	CRKZEVHKEIQXFZ-UWVGGRQHSA-N	360.348	4.985	50	20	FJGD	
CCCCN(CCO)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184433736	VZLNNTFGIOTPBJ-UHFFFAOYSA-N	362.364	4.970	50	20	FJGD	
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	193432067	UISJRWWJRHWKII-NXEZZACHSA-N	372.359	4.539	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2ccccc2)C2CC2)c1C	207016044	VFPDTQUYMZSHHN-BHJKQYKASA-N	361.489	4.689	50	20	FJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	213080342	GLMBYRPEWOAEML-KAMYIIQDSA-N	374.412	4.946	50	20	FJGD	
COc1cccc(OC)c1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	588386645	RGJASXFYIKKUNO-YBEGLDIGSA-N	373.437	4.763	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(Cl)ccc3Br)nc12	742435606	YZIAHAQXLGGVBR-IZZDOVSWSA-N	373.641	4.746	50	20	FJGD	
CSc1ccc(F)cc1CNC(=O)CCCC[C@H]1CCSS1	744685960	KTTJHSFKNAQKGG-AWEZNQCLSA-N	359.557	4.878	50	20	FJGD	
COc1ccc(Br)c(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	747690216	FGTLVJXUUJNEOH-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2cccc3c2CCCC3)s1	748577741	NNGJYRWPZQZJBW-UHFFFAOYSA-N	363.486	4.754	50	20	FJGD	
Cc1cc(NNC(=O)CCCSC(C)(C)C)ccc1Br	754083942	BIWWSTOMVNYHIC-UHFFFAOYSA-N	359.333	4.513	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2cc(F)ccc2s1	754152255	DJETVZBTLYYAAP-UHFFFAOYSA-N	372.318	4.955	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1scnc1-c1ccccc1	767942651	HRAQQDMXJNHAQI-LBPRGKRZSA-N	353.285	4.558	50	20	FJGD	
N#C/C(=C/c1ccc2ccc(Br)cc2n1)C(=O)c1ccccc1	771519053	CBYRSXFDWZONTQ-GDNBJRDFSA-N	363.214	4.787	50	20	FJGD	
CC(C)Cn1ccc2c(C(=O)NNc3cccc4cnccc34)cccc21	772427264	LKHRHRVXBHBXLU-UHFFFAOYSA-N	358.445	4.602	50	20	FJGD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCCC[C@@H]1CCSS1	780757353	WSAWAWAXVDVHPG-JHJVBQTASA-N	355.491	4.890	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1c(Cl)ccc2cccnc12	781123234	UBEWQVKKXIHSBV-UHFFFAOYSA-N	373.843	4.734	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccnn3-c3ccccc3C)n2)cc1	794872665	LHLPYTWIZXSGQI-QGOAFFKASA-N	367.412	4.603	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1OC	810217433	DDXONZXLYVWDOJ-YBEGLDIGSA-N	353.805	4.703	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cn1	812244840	JDKSTAQLHCIRPU-LCYFTJDESA-N	351.362	4.922	50	20	FJGD	
Cc1ccccc1COc1ccccc1C(=O)NNc1cccc(Cl)c1	912718157	JJGNEBKIJQSDNY-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)C(=O)Nc1ccc(F)cc1	915982484	FDQJAOXOBJTZIE-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccsc1	915990204	XEXGIDGVSUMOQZ-NTEUORMPSA-N	353.834	4.686	50	20	FJGD	
O=C(/C=C/c1cccnc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558889	KEQCONANZYJRAV-KIUWMYQTSA-N	372.799	4.953	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)cc1	920065101	IPBZNHGXTIUZHQ-OQLLNIDSSA-N	365.483	4.980	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1nccc(Cl)c1F	1324256804	TZSGFFMFXQCZCZ-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)OCCCO2	23184441	VMHSXVKNTIJFOM-AWEZNQCLSA-N	353.509	4.501	50	20	FJGD	
C[C@H](Cl)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)[nH]1	34937153	YICVGWRFHIWIIZ-ZETCQYMHSA-N	369.671	4.714	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1csc(-c2ccc(Cl)s2)n1	118510675	OKJOGFSXINQQOJ-UHFFFAOYSA-N	371.821	4.560	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccccc1OCc1ccc(Cl)cc1	748088319	ONKRYWHSVXMXFZ-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc2c(ccc3ccccc32)[nH]1	748769544	KCUUOGVHCJVKMD-UHFFFAOYSA-N	352.397	4.626	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=Cc2ccccc2C2CC2)cc1OC	751134655	NQBAJTLKXVLAIN-UHFFFAOYSA-N	366.461	4.515	50	20	FJGD	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(CCCCl)cc1	751259794	GIRLGUSDKAUGFV-UHFFFAOYSA-N	358.290	4.621	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)c(OC)cc1Cl)c1ccccc1	753922916	ZUWWEYZKOPFRIN-AWEZNQCLSA-N	365.260	4.646	50	20	FJGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1cccc2cnccc12	773495356	RDFAIJBSPGBTJA-KRWDZBQOSA-N	370.456	4.597	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1F	782326891	DTGBPWHJMVFTLH-DHDCSXOGSA-N	351.406	4.807	50	20	FJGD	
CC(C)O[C@H](C=NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	792942886	KHTMXAPSRFDNIM-QGZVFWFLSA-N	365.260	4.875	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	806566626	MDCPHFOOEARYSG-AWNIVKPZSA-N	364.836	4.699	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CCCCO2)c(C)n1C1CCCCC1	857828690	LXVDAXOHDSGULO-UBXANZILSA-N	370.493	4.629	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1c(Cl)cccc1Cl	915976934	SMOVBEKTTQVMDI-UHFFFAOYSA-N	357.240	4.839	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)C(=O)c1ccccc1F	915986914	IUXABANPGSPAMN-XFFZJAGNSA-N	351.711	4.870	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3ccc(Cl)cc3)c(Cl)nc12	916254234	PTBUCACFOGWAJX-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
N#C/C(=C1/COc2ccc(F)cc21)c1nc(-c2ccc(C#N)cc2)cs1	920066940	PGGXJZZKXSKROH-WUKNDPDISA-N	359.385	4.648	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OC)c1	921262184	RPUOCQNHVFSENP-MLPAPPSSSA-N	362.212	4.800	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(N4CCCC4)cc3)c[nH]c2c1	1337811616	HWZHOALKPWIRGE-QGOAFFKASA-N	355.441	4.866	50	20	FJGD	
OC[C@@H](CC(F)(F)F)NCc1cccc(S(F)(F)(F)(F)F)c1	1351933724	BCROTMHTAHQWFL-SECBINFHSA-N	359.282	4.747	50	20	FJGD	
COc1cccc(C2(NC(=O)CCCC[C@H]3CCSS3)CC2)c1	122657075	HJRNHIOTOIQMJG-INIZCTEOSA-N	351.537	4.515	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1Oc1ccccc1C#N	184328074	NOQSMYUQZXTOOP-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1[N+](=O)[O-]	206972579	MAFCSGXDWDULKQ-MLPAPPSSSA-N	365.776	4.828	50	20	FJGD	
Cc1ccc(CN(C)CCP(=O)(c2ccccc2)c2ccccc2)s1	728055660	CRKUNJXWCLOLIG-UHFFFAOYSA-N	369.470	4.502	50	20	FJGD	
COc1cc(C(=O)NN=C(C)CCC2CCCCC2)ccc1OC(C)C	731924823	KXKWNQSPBVXINF-UHFFFAOYSA-N	360.498	4.949	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(COC)c2)c1C	733074081	JIEAFKIHMYTCCR-MOSHPQCFSA-N	366.461	4.564	50	20	FJGD	
Cc1ccccc1Sc1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	748116718	MNGZOSRDDOHRIY-UHFFFAOYSA-N	359.454	4.775	50	20	FJGD	
C[C@](CO)(NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	753926264	WZVWTAJBDXHRNI-CYBMUJFWSA-N	360.348	4.627	50	20	FJGD	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCC[C@H]1CCSS1	767081035	MYKOHFODZVBEOD-BBRMVZONSA-N	369.527	4.617	50	20	FJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3ccc(F)cc3)cc2)c1	770030535	IDCAVDONFGSPBD-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc(C)c1O	773143969	HBZRKRLIHVXALV-AUWJEWJLSA-N	363.310	4.957	50	20	FJGD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCCC[C@H]2CCSS2)c1	786590389	OUYFRHLMYFKEOL-ZBFHGGJFSA-N	367.536	4.579	50	20	FJGD	
C[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1CN	841178135	APWQZWBDNNAONF-GWCFXTLKSA-N	373.391	4.935	50	20	FJGD	
CC[C@H](C)N(CC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	850501071	JQNDVDGXSPPJPW-JTQLQIEISA-N	374.375	4.930	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(COC)cs1	857574559	VKXPPKHYZRWBGY-UHFFFAOYSA-N	360.504	4.845	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CCSc3ccc(F)cc32)c(C)c1	916222331	ZHBPOQNNUNOECX-MRXNPFEDSA-N	359.470	4.614	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1OCCC	916551432	FQUGUNNXWMAFOE-UHFFFAOYSA-N	362.857	4.675	50	20	FJGD	
CC(CCc1ccco1)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	917030194	WJISZZOQIJIJIA-UHFFFAOYSA-N	356.422	4.886	50	20	FJGD	
CCCn1cccc1C=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	918153236	XDXPFLMUAQQXFI-UHFFFAOYSA-N	355.438	4.530	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)c1	918714445	VTNGLHQOIPVMEE-DEDYPNTBSA-N	355.441	4.896	50	20	FJGD	
O=C(NN=C1CCCC[C@H]1C1=CCCCC1)Nc1ccc(C(=O)O)cc1	1776045599	YJYUZQWVUVXLPL-KRWDZBQOSA-N	355.438	4.553	50	20	FJGD	
CC(CCCCCCC(=O)O)=NNC(=O)Nc1ccc(Cl)cc1Cl	1776077477	WKZBSMDVLYHGTF-UHFFFAOYSA-N	374.268	4.916	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H](C(=O)O)C2CCCC2)c1	1776270389	UWLJIQBNCHMVSM-SFHVURJKSA-N	363.574	4.804	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1F	6209407	UBGJEGAYFGHAOK-CPNJWEJPSA-N	372.399	4.950	50	20	FJGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)c1	45076071	VOWPYOHOHCNMMQ-CXAGYDPISA-N	366.552	4.536	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1C1CC1	89865581	GHMJAAIYVZIHIP-LLVKDONJSA-N	366.387	4.507	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(-c2ccccc2)s1	176833735	OUERHASRVOTTFR-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1F	179171918	XMFFKKRFZPJTDS-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
O=C(NNc1ccncc1)c1sc(-c2ccccc2)nc1-c1ccccc1	180467858	KDABAQFOSBNPFU-UHFFFAOYSA-N	372.453	4.629	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc(OC)c1O	255192264	BPYRHHHUXGQMLB-ZSOIEALJSA-N	371.795	4.712	50	20	FJGD	
O=C(Cc1cccc(OCc2ccccc2Cl)c1)NNc1ccccc1	732265485	FVVIXYAXLGMJJM-UHFFFAOYSA-N	366.848	4.605	50	20	FJGD	
O=C(NCCC1CC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	743087765	RGRPTPONUGQTFC-GFCCVEGCSA-N	352.809	4.828	50	20	FJGD	
CCSc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	751998302	UYVBRZOIYYNYKY-RFRKOGIWSA-N	354.450	4.722	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cncc(-c2ccc(Cl)cc2)c1	758161440	FMSXGIRJPBKYCF-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
CC[C@H]1CCCC1=NNC(=O)c1ccc(NN=C2CCC[C@H]2CC)cc1	758362431	TUJXBVWJMYFMHP-CVEARBPZSA-N	354.498	4.961	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nc(Cl)ccc1F	759781367	HAGCZYOJAPIFAX-UHFFFAOYSA-N	363.845	4.824	50	20	FJGD	
Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NNc2ccccn2)c1	760024478	MBQFAKXOKBZPGE-UHFFFAOYSA-N	369.877	4.952	50	20	FJGD	
CCc1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	762978818	RORDDCNANQPZLR-UHFFFAOYSA-N	370.347	4.951	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1	764412729	UQNFOBBRHQQMFV-DTQAZKPQSA-N	374.396	4.764	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	764892279	VAVKPVXMHSHQAY-SFQUDFHCSA-N	358.353	4.953	50	20	FJGD	
COc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	767054984	FILWPHVXOZWDKG-ODLFYWEKSA-N	365.477	4.624	50	20	FJGD	
CCn1nc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	769741761	DYNIERPZGHRCKH-PTNGSMBKSA-N	357.442	4.639	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)c1ccc(F)c(Cl)c1	773145778	UMIIWUVTCWCABU-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c2c(c1)C[C@H](C)O2	773161125	AUYGQCKQMPMDHD-REPOHMLUSA-N	371.795	4.601	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1	780806063	SWIWYWGRMRCICI-UHFFFAOYSA-N	368.868	4.580	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(Cl)nc3cc(Cl)ccn23)cc1	794715645	ZDMBLOJCKKZSQR-MDWZMJQESA-N	356.212	4.739	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c(OCCC)c1	812245442	RSFXZYBMYWSWFK-WJDWOHSUSA-N	367.405	4.632	50	20	FJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3c(C)n[nH]c3C)c2C)cc1C	915985435	UQOWFQQWXJANEX-YBFXNURJSA-N	372.472	4.841	50	20	FJGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	916265004	FRCHKVFDLBZQOW-UHFFFAOYSA-N	374.227	4.600	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)c(C)n1CC1CC1	1340482404	YVWVQPOLANAZGK-UHFFFAOYSA-N	352.265	4.579	50	20	FJGD	
O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccc(Cl)cc1	5773772	LLGPSQQLUZQSDT-UHFFFAOYSA-N	364.832	4.683	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	7164487	SGAKFWAAUHJGRM-HMMYKYKNSA-N	354.409	4.908	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)c1nc2ccccc2[nH]1	7675628	LVMXDQNMNLPQKF-RVDMUPIBSA-N	357.392	4.569	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1OCc1ccccc1	16882435	GUJCVTKJHDOLED-LDADJPATSA-N	359.381	4.657	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1OC	63412953	CYYHZERMZQUZHK-YBEGLDIGSA-N	360.413	4.674	50	20	FJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccccc3)cc2)cs1	73434936	OHDLFEDNEFAEMV-UHFFFAOYSA-N	355.488	4.501	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccccc1COc1ccccc1	120759551	DDDZIQADJGVOKQ-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
COCc1c(C(=O)NNc2cc(C)ccc2C)sc2cccc(F)c12	125063398	ZYMQSJGJPVITJF-UHFFFAOYSA-N	358.438	4.561	50	20	FJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccccc3Cl)c2)cc1	158549477	CYYQVRYJOHJWLM-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)c1	160755179	RGIXJQSMADMJMJ-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1c(Cl)cccc1Cl	175324495	KAPHJNVNSXROBP-RUDMXATFSA-N	354.139	4.767	50	20	FJGD	
C=CC[C@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	187056772	NYBYCQDNLVXFMW-VIFPVBQESA-N	351.362	4.587	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F	206253380	BJPQIGVCDVUPAU-UVTDQMKNSA-N	360.335	4.568	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccccc1	209884912	MFCDOCNRSNWMAU-ATVHPVEESA-N	362.429	4.778	50	20	FJGD	
CC1(C)Cc2cc(/C=C(\C#N)C(=O)c3c[nH]c4cc(F)ccc34)ccc2O1	729149532	JETNMTJKUDTOJP-OVCLIPMQSA-N	360.388	4.810	50	20	FJGD	
CCCCn1nc(C)c(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1Cl	735616927	MZOKHOSRBPGJOH-GXDHUFHOSA-N	353.857	4.894	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(OCC(F)F)cc3)c[nH]c2c1	741845093	VRTFJVZTVZFWMA-DHDCSXOGSA-N	366.367	4.910	50	20	FJGD	
O=C(C[C@H]1C=CCC1)NNc1c(Cl)cc(Br)cc1Cl	742006793	YUUDYHOFDMAVOA-QMMMGPOBSA-N	364.070	4.555	50	20	FJGD	
Cc1c(NNC(=O)c2sc3ccccc3c2Cl)cccc1[N+](=O)[O-]	748683808	XBOJBDBXLWZJGZ-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc2ccccc2c1	748751323	UEYVWIAEHRGGOC-UHFFFAOYSA-N	355.235	4.668	50	20	FJGD	
O=C(NNc1cccc2cnccc12)C1(c2c(Cl)cccc2Cl)CC1	748773488	RDHVITIWHWNPGH-UHFFFAOYSA-N	372.255	4.717	50	20	FJGD	
CCCc1c(C(=O)NNc2cccc3c2CCCC3)cnn1C1CCCC1	752634341	MPDMADOJRMGAAQ-UHFFFAOYSA-N	366.509	4.586	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc(F)c(Cl)c1	761384901	JNNZYKKXRCRJTH-VZUCSPMQSA-N	363.150	4.933	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)Nc1cc(Cl)cc(Cl)c1	772806156	KJZVWIQAVVWFCJ-UUILKARUSA-N	360.175	4.550	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)NCc2coc(-c3cccs3)n2)cc1	780818550	YQGIEXKZCDRDKM-UHFFFAOYSA-N	370.478	4.527	50	20	FJGD	
CC(C)Oc1ncccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	790086003	WPAQNQDEBQEMPQ-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1	794872998	ATNZUEQAKSBWPS-IUYQLWOBSA-N	361.869	4.810	50	20	FJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(Cl)cc2)cc1Cl	807120590	LUYGRHDUUCAAKM-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(-c2ccccn2)cc1	810330364	DBWDEHNNZFKIOP-UHFFFAOYSA-N	374.231	4.599	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Br)ccc1F	812763368	QBGIRXRAHDHWJK-UHFFFAOYSA-N	365.246	4.777	50	20	FJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=C3CCC[C@H](C#N)C3)cc2C1	814758815	IPYBBLKFOJKRFM-ZFWWWQNUSA-N	357.523	4.699	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	815903884	KEFFBYUCZKSJRN-UHFFFAOYSA-N	370.255	4.970	50	20	FJGD	
COc1ccc(-c2cc(C(=O)N(C)CC(Cl)Cl)sc2C)cc1	816629529	QAKWDSYKCYZDSR-UHFFFAOYSA-N	358.290	4.608	50	20	FJGD	
CCOc1ccc(NNC(=O)c2sc(C3CCCCC3)nc2C)cc1	817912097	ZJPOEVSELUENPU-UHFFFAOYSA-N	359.495	4.655	50	20	FJGD	
CN(C(C)(C)C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	828204250	ZDBDIFDXPOIHQR-UHFFFAOYSA-N	353.378	4.763	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCc2ccccc2O1	841024359	IAEISBHDKNQBJN-LJQANCHMSA-N	366.486	4.717	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@H]1N	841190454	PBNPOWMNWKDCAS-JOYOIKCWSA-N	359.364	4.545	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)c1ccccc1	917143507	HKRLTFBVZHFHCR-ATVHPVEESA-N	361.832	4.932	50	20	FJGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	921138400	JAUBJAAMDQEBNL-MKMNVTDBSA-N	360.196	4.570	50	20	FJGD	
CCCN(N=Cc1csc2ccc(C(=O)O)cc12)C(=O)OC(C)(C)C	1776059194	PZLYVKPEFFOMGX-UHFFFAOYSA-N	362.451	4.581	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccsc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776130807	XHLPZEGTRDUCKD-WOJGMQOQSA-N	374.421	4.659	50	20	FJGD	
Cn1cc(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	186085849	WRVOBIDJIJCIOX-UHFFFAOYSA-N	355.332	4.649	50	20	FJGD	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CCCC[C@H]2CCSS2)C1	248590441	KTVXPPYYQFIIGT-PVAVHDDUSA-N	350.553	4.705	50	20	FJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)Nc1ccccc1Cl	588577275	HKDSVDILFFLVBO-LFIBNONCSA-N	352.821	4.674	50	20	FJGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)C(=O)c1ccc(Cl)cc1F	588599359	YZZSQFLJCVVJHI-MDWZMJQESA-N	351.768	4.659	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cccc4c3OC(C)(C)C4)n2)cc1	738288750	KZPUQWRHOBHVMK-WQRHYEAKSA-N	357.413	4.823	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccccc2-n2cncn2)CC1	741468818	HUZALFXNNBPTFI-MOSHPQCFSA-N	362.477	4.740	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2Cl)sc1C	741475183	VYGRQSCDUMKDNZ-ZROIWOOFSA-N	354.866	4.972	50	20	FJGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccnc2cc(Cl)ccc12	743297510	NXBHULULDPVEPO-CYBMUJFWSA-N	371.843	4.739	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1	743763625	AZWPXIZJRTXQHL-UHFFFAOYSA-N	360.457	4.948	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ncc(-c2ccccc2)o1	746769752	PKPQHINOOKOVMF-LLVKDONJSA-N	374.803	4.521	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1sccc1C1CC1	753175676	DCFWCHVXIPRXAF-UHFFFAOYSA-N	365.296	4.707	50	20	FJGD	
Cc1ccc(C=NNC(=O)c2ccc3ccccc3c2)c(Br)c1	753697288	MAZVXFJZXWGFAE-UHFFFAOYSA-N	367.246	4.675	50	20	FJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)Nc1ccc(Cl)cc1	761377024	PRPXRUCOFKHUHK-YFHOEESVSA-N	357.797	4.634	50	20	FJGD	
CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762969082	SGNGJCSTNSAGBN-GFCCVEGCSA-N	360.348	4.579	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c(OC(F)F)c1	774558121	JVSXAMWKCXDMEM-RIYZIHGNSA-N	360.316	4.577	50	20	FJGD	
CN(CCC1CC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778007621	BQPAMQOAHIDKAZ-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
C=C1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782983091	ONPIIFFJQDSMSU-UHFFFAOYSA-N	363.373	4.685	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(F)c(C(F)(F)F)c1	791727088	LZWOIMXVZMTPGN-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C1CCCc2c(cccc2OC(=O)CCCC[C@H]2CCSS2)N1	803084907	RCDDHNQXPOAQCM-ZDUSSCGKSA-N	365.520	4.581	50	20	FJGD	
Cc1ccc(NCc2ccc(OCCCCl)cc2)cc1N1CCOC1=O	811469141	DNMAFDHZBRJVAA-UHFFFAOYSA-N	374.868	4.571	50	20	FJGD	
CN1CC[C@H]2CN(C(=O)c3ccc(S(F)(F)(F)(F)F)cc3)CC[C@H]21	827276559	CVIFSKHZZVEWPF-GXTWGEPZSA-N	370.387	4.510	50	20	FJGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1cc2ccccc2cc1O	917531361	LTAKDFIITKUIMM-UHFFFAOYSA-N	360.457	4.920	50	20	FJGD	
Cc1cc(NCc2ccc(OCCCCl)cc2)ccc1N1CCCC1=O	1117641935	PGARTOXGXLKVDN-UHFFFAOYSA-N	372.896	4.742	50	20	FJGD	
COc1ccc(C[C@H](C)N(C)C(=O)CCCC[C@H]2CCSS2)cc1	1251420872	UHPNNTVPBIWIDE-YJBOKZPZSA-N	367.580	4.799	50	20	FJGD	
CCCCCc1ccc(C(CC)=NNC(=O)c2ccc(C(=O)O)cc2)cc1	1776099315	ZZIVTABVCMPXLN-UHFFFAOYSA-N	366.461	4.662	50	20	FJGD	
COc1ccc(CCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	15434475	UABSBZXWAPTFOX-UHFFFAOYSA-N	373.667	4.731	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2cccc(C(F)(F)F)c2)c1C1CC1	89687613	SNNIQKPUTABICJ-NSHDSACASA-N	366.387	4.507	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)Nc1ccccc1Br	195228096	DGJFVQLINBPWMW-WEVVVXLNSA-N	367.655	4.710	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	206121865	JLLKIRYRDCJHKL-ZROIWOOFSA-N	360.335	4.650	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1OCc1ccccc1	213023867	IHUKWURMBRQMCK-UNOMPAQXSA-N	373.408	4.966	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(OC[C@@H]3CCCO3)cc2)n1	255030354	HYTMPTSMRGLBAC-BXBHGGAKSA-N	354.475	4.888	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc1	746060769	YSTIZUAQAANFHT-UWCCDQBKSA-N	373.412	4.565	50	20	FJGD	
COc1ccc(NNC(=O)c2cccnc2SCC2CCCCC2)cc1	746886123	JABJHZZKSDFZCW-UHFFFAOYSA-N	371.506	4.520	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1	746887805	XYSHMRGXBGMBRW-UHFFFAOYSA-N	350.393	4.567	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)c1O	747946574	HLNFWLLOKHEWIE-VXLYETTFSA-N	365.477	4.629	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1occc1Br	751207939	JUHMFDKTFONLOY-UHFFFAOYSA-N	357.207	4.525	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)c3nc4ccccc4n3C)cs2)cc1	767888849	YDXOVUSQMMERFN-PTNGSMBKSA-N	372.453	4.770	50	20	FJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1ccccc1OC(F)F	776194121	XZWDCRIGHTWFFO-RVDMUPIBSA-N	350.324	4.626	50	20	FJGD	
O=C(CCCCCc1ccc(F)cc1)NNc1ccc(OC(F)F)cc1	779011406	HZJTVXDWTWEXFN-UHFFFAOYSA-N	366.383	4.673	50	20	FJGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)c1cccc(C(F)(F)F)c1	780526080	BRNKWLKKWJDIQK-FLIBITNWSA-N	370.252	4.909	50	20	FJGD	
CN1C(=O)CCc2cc(/C=C(/C#N)C(=O)c3cc4ccccc4s3)ccc21	788326054	BNYDWUGZDFHAQO-BOPFTXTBSA-N	372.449	4.600	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)Cc1ccc2ccccc2c1	788712604	WFFMGYIDABGXFN-UHFFFAOYSA-N	350.849	4.748	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cnc(-c2ccco2)s1	789128762	BIHAAFIHXCMNEA-LCYFTJDESA-N	359.410	4.983	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ncc(C(C)(C)C)s3)n2)cc1	790603882	PHLMPLYCXWBIPZ-NTEUORMPSA-N	350.447	4.863	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Oc2ccccc2)nc1	791727628	YTCKTUDTTSHMFM-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cccc(C(F)(F)F)n1	792358678	ARIHQSVGPGAGJQ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)Nc1cccc(Cl)c1Cl	811686725	ZXHGGVYMDJUZFJ-YRNVUSSQSA-N	360.175	4.550	50	20	FJGD	
COc1cc(C(=O)NNc2ccc(C)cc2Cl)cc(OC)c1C(C)C	836937768	MFEAUHDNKQSSJR-UHFFFAOYSA-N	362.857	4.546	50	20	FJGD	
O=C(O)CCCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841841660	TUSFMPIUJAOELA-UHFFFAOYSA-N	362.320	4.720	50	20	FJGD	
CCOc1ccc(NNC(=O)C2(c3cccc(C)c3)CCCCC2)cc1	857513052	VWUNSFACQDDWDU-UHFFFAOYSA-N	352.478	4.739	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2sccc2C#N)c(C)n1CCC(C)C	908105306	YIOSOAJUCUURMM-ZDLGFXPLSA-N	366.490	4.630	50	20	FJGD	
COc1cccc2cc(C=NNC(=O)c3ccc(Cl)cc3Cl)oc12	916359153	MCVZYKXVKYYMPE-UHFFFAOYSA-N	363.200	4.512	50	20	FJGD	
CC(C)Oc1ccccc1CNC(=O)CCCC[C@@H]1CCSS1	918378180	NFNGWNOWJZEMGS-MRXNPFEDSA-N	353.553	4.804	50	20	FJGD	
COc1ccc(CCC(=O)NN=Cc2sc3ccccc3c2Cl)cc1	920380551	VUSBYKRUNDLXCZ-UHFFFAOYSA-N	372.877	4.646	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(OCCC(C)C)cc2)n1	920387590	NEDOASMCVDPPKN-LFIBNONCSA-N	370.474	4.809	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1cc2c(s1)CCCCC2	932519815	DEIKNJGNVAATRH-UHFFFAOYSA-N	365.296	4.536	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccco2)cc1OCC	16882635	RBDLNKQCPYBPTI-NTEUORMPSA-N	359.809	4.910	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	33510392	FNQFBYFIYNSUIV-LGMDPLHJSA-N	365.864	4.794	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(C2CC2)nc2ccc(F)cc12	158358233	WMVLZIRSQNETIJ-UHFFFAOYSA-N	355.800	4.662	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)c(C)n1C1CCCCC1	178484942	LVVRVPXTSJWOIV-UHFFFAOYSA-N	362.477	4.915	50	20	FJGD	
CN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCCC1	194021827	OIFZYXGHVQKCOK-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	206267730	IRVWQUOXUMIUKE-KAMYIIQDSA-N	360.335	4.650	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1O	274065046	QSXRURXJSVEWGB-SKDRFNHKSA-N	360.348	4.579	50	20	FJGD	
Cc1cccc2ncc(/C=C(\C#N)c3nc(-c4ccc(C#N)cc4)cs3)n12	748998803	SQDGUUNJEMCXQD-RQZCQDPDSA-N	367.437	4.702	50	20	FJGD	
O=C(CCn1cccc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	749131292	BZUVPOAMMONFAA-CQSZACIVSA-N	362.804	4.736	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753373831	OHHDHYWSIYPZOO-BKAYVGFPSA-N	373.412	4.565	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccc(Cl)cc1	754679602	JPRKYBFVIHXRNI-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	771342632	CSYSPKQBBFFPQL-CQSZACIVSA-N	373.325	4.593	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1	771522348	ZMHMYSMACPNJER-ZROIWOOFSA-N	357.251	4.910	50	20	FJGD	
CC[C@H](C(=O)NNc1c(C)cccc1F)c1cccc(C(F)(F)F)c1	771707340	QCYJSVGTXJYYDU-AWEZNQCLSA-N	354.347	4.790	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)ncn1	773177332	VIGWECZNSRZDIF-WOJGMQOQSA-N	359.454	4.842	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)cc1	778392370	WIOXBGWAQKPQHS-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
COc1cc(NNC(=O)c2cc3c(Cl)cccc3s2)ccc1Cl	790167622	CEORVIIYNKGKBZ-UHFFFAOYSA-N	367.257	4.974	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(F)c1Cl	790497192	LMXXQRKXRZMDIM-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
C=C(C)COc1cc(C=NN(CCC)C(=O)OC(C)(C)C)ccc1OC	794996803	LORGJPJXFVAAAA-UHFFFAOYSA-N	362.470	4.631	50	20	FJGD	
O=C(O)C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	841840824	KNHXDAGIEJRCSD-UHFFFAOYSA-N	374.331	4.673	50	20	FJGD	
CC[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	849463754	LPGQIWAMGHKQFM-GFCCVEGCSA-N	365.389	4.811	50	20	FJGD	
CC(C)[C@H]1CNCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	859677563	KLILGORKPPRJGX-CYBMUJFWSA-N	373.391	4.806	50	20	FJGD	
Cc1nn(CCO)c(C)c1CNc1cccc(S(F)(F)(F)(F)F)c1	1320220977	KQXUFJZCHBEOBH-UHFFFAOYSA-N	371.375	4.762	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	33347191	HPSYCOSNTNGOIG-ATVHPVEESA-N	352.390	4.846	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(Cl)ccc1Cl	72085920	UZQGUHUWIMKEHR-UHFFFAOYSA-N	353.234	4.752	50	20	FJGD	
N#C/C(=C\c1ccccc1C#N)C(=O)Nc1ccccc1Oc1ccccc1	120711778	FKAXOKWIJKMDEX-XMHGGMMESA-N	365.392	4.896	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)c2nc3ccccc3n2C)c1Cl	172213686	KAHUFHTWWYIZJI-NTCAYCPXSA-N	373.847	4.691	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	173015341	ZFVZQOXVXMSDMM-RIYZIHGNSA-N	361.228	4.685	50	20	FJGD	
CSc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	207993593	ODSHXJVMYZRIGO-RAXLEYEMSA-N	362.376	4.973	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1	255050108	WJTRWBBYYRFRNX-LCYFTJDESA-N	351.456	4.726	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccc(C)cc2)n1	263697460	SSIORUJVIAZTEM-KNGSKEOJSA-N	367.474	4.658	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@H]1CCSS1)Oc1ccccc1Cl	742140902	JUXOADUHRQILFK-KGLIPLIRSA-N	373.971	4.938	50	20	FJGD	
COc1ccc(NNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	746883384	PJWVZIIOKQARCF-UHFFFAOYSA-N	367.257	4.974	50	20	FJGD	
CC[C@H](CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	746889654	OOFKAVQSYWVCAP-CYBMUJFWSA-N	361.367	4.604	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(OC)c(F)c1	747007045	PEVAUIZJYCAGQV-BOPFTXTBSA-N	352.409	4.505	50	20	FJGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1cccc(-c2ccncc2)c1	749817179	BHRROUQBVQQLAM-UHFFFAOYSA-N	355.397	4.649	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(C(F)(F)F)ccc1F	761573029	QKONGTVRUUQSOP-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1Cc2ccccc2C(F)(F)C1	771284664	CTNSJSFBSWKMIC-AWEZNQCLSA-N	357.491	4.835	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1F)C(=O)c1cc(F)cc(F)c1	772175171	GBIFNAXGCSPJAW-QDEBKDIKSA-N	366.136	4.656	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1C	772175231	DXIJLPIZIKSMGD-ZROIWOOFSA-N	374.412	4.864	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)n(-c3ccccc3Cl)n2)c(C)c1	776478938	NSADOZKUEHVHAJ-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
Cc1ccc(S[C@H](C(=O)NNc2ccccn2)c2ccccc2)c(C)c1	777472671	WOOJBZISPAYEDK-FQEVSTJZSA-N	363.486	4.675	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(F)cc(C(F)(F)F)c1	791739504	QYKKYXOCZUBJIW-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccc(Cl)cc2Cl)c1C	792475750	JNLROAPQWHYNKM-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-c2ccccc2Cl)o1	805372443	BXQPLQGLCGESBJ-UHFFFAOYSA-N	371.780	4.574	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccccc1Br	914324065	LUIGFXLWSJMHFP-CYBMUJFWSA-N	374.369	4.779	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)oc2ccccc23)cc1Cl	1261085910	KNPYFTGKKKEOQO-UHFFFAOYSA-N	361.788	4.868	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(-c2ccoc2)c1	89852387	AYOOGPNPHOSRKN-UHFFFAOYSA-N	362.307	4.602	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N2Cc3ccccc3C2)c(C)n1CCC(C)C	729954220	HTOJDGMZTXYJJV-WSDLNYQXSA-N	361.489	4.600	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccc4c3OC(C)(C)C4)c[nH]c2c1	737444436	RMKUDYLTMMCAHL-YVLHZVERSA-N	356.425	4.980	50	20	FJGD	
CC(=NNC(=O)c1cccc2ccccc12)c1[nH]c(-c2ccccc2)nc1C	741465359	HCWQOSJVVAWVPY-UHFFFAOYSA-N	368.440	4.692	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(Br)cn2C(C)C)c(C)c1	743765576	WDQXUTWIPOFRMC-UHFFFAOYSA-N	364.287	4.514	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(-c2cccc(F)c2)no1	748018045	FXRBQTBXZBHPBY-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(OC(F)F)c(F)c3)n2)cc1	754679688	JUMICEXQMCGOQV-RIYZIHGNSA-N	371.318	4.850	50	20	FJGD	
Cc1cc(CN(C)C)cc(NC(=O)CCCC[C@@H]2CCSS2)c1	759743894	BPMPHYSHWZDJEF-QGZVFWFLSA-N	352.569	4.709	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@@H](C)[C@@H](C)C3)s2)cc1	767362748	ZBWIUDCLJHIOQB-OLZOCXBDSA-N	371.506	4.548	50	20	FJGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)c1ccccc1OC(F)F	775639745	SQOCWRPICVFUCL-FLIBITNWSA-N	351.711	4.870	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1	780147405	MESILMDXQUVQGN-ZSOIEALJSA-N	353.834	4.931	50	20	FJGD	
CC1(C)CCC(=NNC(=O)c2cccc(NN=C3CCC(C)(C)C3)c2)C1	783790043	UCJGFRXXLIXLMH-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	785037134	HEHMNLCAAHLZPI-ZENNRRHLSA-N	362.326	4.629	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1C[C@H](c2ccccc2F)C1	798022366	KAERDDOFOFTIQF-KKUMJFAQSA-N	353.528	4.902	50	20	FJGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2cc(Cl)ccn2)c1	799717355	MHMVLXJAEZXESM-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
Cc1cnc(C2CCN(Cc3ccc(OCCCCl)cc3)CC2)s1	811496261	UHOITMFQAZVIGS-UHFFFAOYSA-N	364.942	4.839	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811626406	HOSJCIRLHVKRHB-YRNVUSSQSA-N	366.364	4.711	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2cccs2)c1C	914743038	UAJVEAFNNQGAJQ-DQPIFXJKSA-N	369.534	4.621	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(COCC)cc2)c1C	1318792880	YIEIGALEYHZJFH-DEDYPNTBSA-N	365.477	4.597	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)ccc1F	1319468151	OMURZRWERXGUKW-YRNVUSSQSA-N	350.176	4.931	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1nc(-c2ccccc2)oc1C1CC1	1324065408	ZKHIPAMDNJBALA-UHFFFAOYSA-N	371.799	4.768	50	20	FJGD	
O=C(/C=C/c1cccc(F)c1)NNc1c(Cl)cc(Cl)cc1Cl	14824347	JRTYQSMWVPOBRL-SNAWJCMRSA-N	359.615	4.942	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)cc1	33414429	ABQSJLZUHSOXDE-VBKFSLOCSA-N	369.380	4.674	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccc(F)nc1	114230441	RUARJDCWZONZDG-CYBMUJFWSA-N	364.751	4.692	50	20	FJGD	
Cc1csc(-c2cccc(C(=O)NNc3nc4ccccc4cc3C)c2)n1	181273929	YWQWLDJGSFJFTQ-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
Cc1cccc(NNC(=O)CSCc2ccc(Cl)cc2Cl)c1	195640733	XQWJONSUUYTOGM-UHFFFAOYSA-N	355.290	4.678	50	20	FJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2ccccc2C(F)(F)F)s1	255288493	DBMZPJWPSLLFNN-HJWRWDBZSA-N	369.412	4.616	50	20	FJGD	
COc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c(C)c1	727222961	FYRBQGIGRRMLPR-UHFFFAOYSA-N	361.445	4.747	50	20	FJGD	
CC1(c2ccccc2)CCC(=NNC(=O)c2cccc3ncccc23)CC1	766699625	IUPRRRDAMORTQO-UHFFFAOYSA-N	357.457	4.853	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(Br)cc1)c1ccccc1Cl	768934801	RCAXJBRLMHYIAX-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	769979691	ZUXSDXGPNMDCTL-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
CC[C@H](C(=O)NNc1c(Cl)cccc1Cl)c1ccc(OC)cc1	775777875	OFGSIKJAXVTXOU-ZDUSSCGKSA-N	353.249	4.639	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ncsc1-c1ccccc1	783686211	UEEPEZCOPNHFNM-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)C(=O)Nc1ccccc1	790100569	FRXYJOJODXMDDK-RMKNXTFCSA-N	367.655	4.710	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)c1cnc2ccccc2n1	790227858	MXHOBEPETFBWJY-XDHOZWIPSA-N	365.440	4.556	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(OC(F)F)ccc2ccccc12	792635610	HMXUSXCDCPWYQV-SDNWHVSQSA-N	365.401	4.521	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ncccc1Oc1ccccc1	799705510	XWYSOLNNBUGLQG-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3ccc(OC(F)F)cc3)c2c1	804467471	CTRKJBJEAGFCGK-UHFFFAOYSA-N	360.360	4.915	50	20	FJGD	
C=CCc1cc(C(=O)NNc2c(C)cccc2C(C)C)cc(OC)c1OC	812765367	FZTAYUYXTBHYPS-UHFFFAOYSA-N	368.477	4.621	50	20	FJGD	
CNC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	912777384	BNRRCRATQUWKHO-WOJGMQOQSA-N	359.454	4.542	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccco2)c(C)n1CCC(C)C	914495578	BLGBWSRCVUYXLJ-ACRNLXFHSA-N	367.493	4.871	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nccn1Cc1ccccc1	918337993	IQTSCUKFVBDAJC-INIZCTEOSA-N	361.536	4.584	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2csc(-c3ccc(Cl)s3)n2)c1	920031389	BVCFIVQRCLUDGM-UHFFFAOYSA-N	363.895	4.899	50	20	FJGD	
CC(C)[C@H](C(=O)O)[C@@H](C)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776301246	WJFPWBULIZHJOW-QAPCUYQASA-N	365.590	4.906	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1F	7907619	NXPVZUGCHKWCDX-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1	121768986	BRIDNKWHYRURRC-TWGQIWQCSA-N	353.230	4.609	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc(-c4ccccc4)nn3)oc12	128036956	PGRYVZBXMUHDCH-UHFFFAOYSA-N	372.428	4.572	50	20	FJGD	
O=C(NO[C@H]1CCCCO1)Nc1cccc(S(F)(F)(F)(F)F)c1	185565450	ZHOYDMLOVPHHDX-NSHDSACASA-N	362.320	4.924	50	20	FJGD	
N#C/C(=C\c1ccc(Br)s1)C(=O)c1cc(F)cc(F)c1	194540271	PJZLUALDZRBKSK-WEVVVXLNSA-N	354.175	4.579	50	20	FJGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	212174931	AIVVWYFPOPDVGW-QPEQYQDCSA-N	352.381	4.827	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	588424760	KFHGCRLCOFRRRS-UVTDQMKNSA-N	356.834	4.874	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)nc12	741472405	HWPIDNPQUPANPM-CPNJWEJPSA-N	366.424	4.910	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)c2ccc(Br)s2)c(C)c1	743764817	RQGPTCDAMNNPEJ-LBPRGKRZSA-N	367.312	4.683	50	20	FJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)c1nc(-c2ccccc2)no1	747689997	CMJQDVOLZPPMFS-RGEXLXHISA-N	350.381	4.863	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1csc(-c2ccc(Cl)s2)n1	748319938	ZEDWQUYXUNYLFH-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)noc2C)c1C	748637070	SPLASQQPBMAVGJ-YBFXNURJSA-N	374.444	4.553	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	749454164	ZBHKMEVIGMAXCK-SWEABUAFSA-N	352.390	4.845	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1OCC(F)(F)F	750902104	VIMKUEMSJVIZMO-RIYZIHGNSA-N	369.383	4.939	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1csc(Cl)c1Cl	761782785	ZTGSUZYXLJTIOD-UHFFFAOYSA-N	363.269	4.901	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cccc(-c2cc[nH]n2)c1	767921175	VPQKOMSAZSKKFY-UHFFFAOYSA-N	362.220	4.532	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3c(C)cccc3F)sc2C)cc1	771697041	IBHQVOIPIQRMNF-UHFFFAOYSA-N	370.449	4.937	50	20	FJGD	
C=CCCCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773577247	IZAPCEFCTPQPCH-UHFFFAOYSA-N	372.359	4.755	50	20	FJGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	779208826	NJIAMDBYUJNURL-LBPRGKRZSA-N	368.355	4.519	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(Oc2ccncc2)cc1	781084135	KFZPPELDKYTIIM-OAHLLOKOSA-N	363.255	4.622	50	20	FJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)c1ccccc1F	786035720	FQVGCKAMSLNVJO-UHFFFAOYSA-N	350.846	4.744	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)cc(F)c2Br)c1	786427315	OBUVUDWKQQGSSF-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccs1)c1ccc(Cl)cc1Cl	787146090	VKPJJHPWLKXVJW-PAKSIRSJSA-N	351.258	4.839	50	20	FJGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1	790215625	MRWXDYTXEYMYAI-UVTDQMKNSA-N	368.223	4.969	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1ccc2ncccc2c1	794884176	HAQRGQLJEVYRDS-YVLHZVERSA-N	364.351	4.669	50	20	FJGD	
C[C@@H](CN(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	841840463	YZCFYQBVZFKBEV-QMMMGPOBSA-N	362.320	4.528	50	20	FJGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(OCCCCl)cc1	841894840	XFVLQLYGTMOGOS-NRFANRHFSA-N	354.881	4.733	50	20	FJGD	
O=C1CCCN1[C@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	893984635	XEECSYUTMCDKRF-ZDUSSCGKSA-N	370.387	4.541	50	20	FJGD	
CCc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1CC	1319813216	XABCSGFKKNONGX-UHFFFAOYSA-N	366.383	4.509	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	6935889	KPGGJHBEZHCZDR-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)c3nnc4n3CCCCC4)s2)cc1	114991095	NEAPEANWBQFVHE-WJDWOHSUSA-N	361.474	4.501	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	119143388	UOZLTHZWLAZPCG-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	120003500	OUOBCJSCWYQPMF-CABZTGNLSA-N	365.808	4.672	50	20	FJGD	
C#CCSCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184423931	VJAWKMLUMVOYLA-UHFFFAOYSA-N	360.373	4.832	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(OC[C@H]3CCCO3)cc2)c1C	727655112	NJUGMNSJRJVVQH-UBXANZILSA-N	361.441	4.651	50	20	FJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1cc(C)ccc1C	748416779	IODXVICPLZHCEG-UHFFFAOYSA-N	352.459	4.797	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	748551282	FXMYACBYAMZWME-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C(CC)C2CCCCC2)cc1OC	750931619	QYBFJAAGQXRVAX-UHFFFAOYSA-N	360.498	4.950	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(-c2ccccc2F)on1	752811385	MCVLYUPEKKXXOG-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(F)c1Cl	753177484	ZONXBTVEWCTWNU-UHFFFAOYSA-N	371.637	4.561	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)cc(Cl)n1	762471094	VZDJJNGJNMXGSS-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1C(C)(C)C	763289219	GXBBTHSAHUUEDI-PDGQHHTCSA-N	373.456	4.920	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1ccc(OC(F)F)cc1	776259333	IDIHLIMSBSLXDY-LCYFTJDESA-N	365.282	4.679	50	20	FJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C)cc(C)c1	777417965	BXYCMUPVSGZBLY-UHFFFAOYSA-N	373.478	4.861	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1c[nH]c2cc(Cl)ccc12	777872436	USSYSVUIVKVYHA-WZUFQYTHSA-N	369.739	4.658	50	20	FJGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1ccc(C(C)(C)C)cc1	780803181	ADYOBKCVYANFIA-UHFFFAOYSA-N	351.425	4.737	50	20	FJGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1cccc(C(F)(F)F)c1	782370083	RYFOTIZNBHKZQM-NTCAYCPXSA-N	367.330	4.681	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1)c1ccccc1	787142091	RNNHHNPVHXLHOC-QIPHDZALSA-N	354.837	4.523	50	20	FJGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1cc(Cl)cc(Cl)c1	791733448	LXUBMJMIEOFKOX-BQYQJAHWSA-N	358.228	4.698	50	20	FJGD	
CCCN(N=Cc1sc2nc(C)nc(C)c2c1C)C(=O)OC(C)(C)C	794998524	QMGPYCHXGFVWDF-UHFFFAOYSA-N	362.499	4.598	50	20	FJGD	
OC1(c2ccccc2)CCC(NCc2ccc(OCCCCl)cc2)CC1	811489699	GCVPTIVKZBPTRM-UHFFFAOYSA-N	373.924	4.614	50	20	FJGD	
C[C@](CN)(NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	841179103	JSHZIZGCJPCKTN-CYBMUJFWSA-N	359.364	4.593	50	20	FJGD	
CC(C)(C)n1nnc(CNc2cccc(S(F)(F)(F)(F)F)c2)n1	848662371	SHMQUWHKPJOOTQ-UHFFFAOYSA-N	357.352	4.698	50	20	FJGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(OC)cc1	849187463	SAYJEPVFTDJZSY-SJORKVTESA-N	353.553	4.977	50	20	FJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3c(C)n[nH]c3C)c2C)cc1	915985554	VCTJBOHSOBFYHR-XDHOZWIPSA-N	372.472	4.786	50	20	FJGD	
CC(C)Oc1ccccc1C=NNC(=O)c1ccc(Cl)cc1Cl	916359859	DCLOIPLFITWTEX-UHFFFAOYSA-N	351.233	4.545	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	6427393	RZDKMBLGZCEWST-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cccc1OCC	7156251	SEYJCBJYXHTEAQ-DTQAZKPQSA-N	368.408	4.559	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	23723739	ZIZAUGCQVQYKRO-LICLKQGHSA-N	363.417	4.881	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2c(Cl)cccc2Cl)cc1	33406494	PYYIXAWFXIMSPB-LCYFTJDESA-N	362.212	4.652	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)s1	47075254	LVLORQBRFOKFHS-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)c3ccoc3C)cs2)cc1	66406888	ULXLFZFGLSIIRI-OQLLNIDSSA-N	364.426	4.722	50	20	FJGD	
COCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	173017678	NIOVECZXHABKIU-VXLYETTFSA-N	357.438	4.892	50	20	FJGD	
CCSc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	751998299	UYVBRZOIYYNYKY-IQGJIOQQSA-N	354.450	4.722	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(SC)c2C)cc1	775587521	CTCXSGARZNIPKL-FOWTUZBSSA-N	352.459	4.661	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1sccc1Cl	779751136	GCUMDYIDPJLHJQ-UXBLZVDNSA-N	367.257	4.918	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1	808779731	ZMWDZRQLFVXVOJ-MAYQHFBPSA-N	374.362	4.523	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H]1c2ccccc2CC12CCOCC2	810079141	IVJUDASBXRRDRI-LJQANCHMSA-N	361.602	4.692	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	814187739	RGVDCTCXOQTQSK-VPCIMLDVSA-N	360.457	4.942	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1c[nH]c(C(F)(F)F)c1	834400186	AWTPFIVDVPANOM-NVNXTCNLSA-N	361.367	4.704	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(CSC(F)F)o1	839424444	KOTYLWJMLOIFGC-UHFFFAOYSA-N	374.412	4.581	50	20	FJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3cc(C)ccc3C)c(C)c2c1	857830601	PRCPPKKMPLHFAY-UHFFFAOYSA-N	364.445	4.637	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]2NCC[C@H]21	868147686	MEIXQJOOPRLPHX-CHWSQXEVSA-N	371.375	4.702	50	20	FJGD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)CCCC[C@H]2CCSS2)C1	915634723	KZCOGEUVCZZSOK-KURKYZTESA-N	372.644	4.575	50	20	FJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)c2nc(C)cs2)cs1	96843877	QSFOBMJJBYBLSZ-ZSOIEALJSA-N	366.471	4.657	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCc2ccccn2)cc1	154303710	HLVGUBJBRABERB-XSFVSMFZSA-N	354.409	4.759	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1	157555932	CXKNMJSCGWODRT-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](Nc2ccccc2)C1	163976656	VUZOBMYRTJSJBZ-ROUUACIJSA-N	364.580	4.804	50	20	FJGD	
Nc1c(Cl)cc(C(=O)NNc2ccc(Cl)cc2Cl)cc1Cl	179187202	VKIGVOKIZUUYDS-UHFFFAOYSA-N	365.047	4.639	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](CO)C1	184407480	SEHZXIDCTCEFFU-JTQLQIEISA-N	360.348	4.580	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccnc1	726430221	QKLMZZNODXBCMZ-XNHPLOEXSA-N	370.456	4.516	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CCC(C)(C)O3)c1C	731562407	BGPNXBIXFYATPE-UYRXBGFRSA-N	360.457	4.953	50	20	FJGD	
C[C@H]1CN(C)c2ccccc2N(C(=O)CCCC[C@@H]2CCSS2)C1	742093125	YZRVEQBICOPSQS-JKSUJKDBSA-N	364.580	4.820	50	20	FJGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1	749832833	XVGFAZPTEKTTEC-UHFFFAOYSA-N	354.409	4.981	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1ccc(F)c(F)c1F	753657458	ZUVOWHJKWABVKN-UHFFFAOYSA-N	370.330	4.689	50	20	FJGD	
COC1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762978814	GGOPZHZRRABFEJ-UHFFFAOYSA-N	360.348	4.987	50	20	FJGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccc(C)cc1	764892370	WLTJNTYKSCVRPF-DHDCSXOGSA-N	356.219	4.556	50	20	FJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NNc1ccc(F)cc1	770078027	YSPKSNJCPDWEPT-UHFFFAOYSA-N	374.416	4.630	50	20	FJGD	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)CCCC[C@@H]1CCSS1	779085467	MDBZSDRNPODHNK-ZWKOTPCHSA-N	367.580	4.500	50	20	FJGD	
CCCN(C1CC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981652	DHTICNSXQOSEGD-UHFFFAOYSA-N	365.389	4.907	50	20	FJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1	794869859	OFASLYMHQXLASV-GHXNOFRVSA-N	350.727	4.962	50	20	FJGD	
Cc1c(NCc2ccc(OCCCCl)cc2)cccc1N1CCOC1=O	811471065	BTRIYKUVLOPECW-UHFFFAOYSA-N	374.868	4.571	50	20	FJGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1cc2ccccc2o1	814867220	VFTJNIJDXSTUGJ-OXJNMPFZSA-N	362.429	4.501	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)c1coc(C(C)C)n1	814995545	CINQFLHSYQGKJD-UHFFFAOYSA-N	355.225	4.651	50	20	FJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3ccccc3)cs2)cc1	868107142	QHPNJLTZKDPJMN-UHFFFAOYSA-N	351.475	4.619	50	20	FJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	873838663	BFIRWSBKQZZHTD-FNWMBBJUSA-N	361.850	4.554	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cnn(-c3ccc(Cl)cc3)c2)c1	918713988	PUTFIMGGKBQRAU-ZDLGFXPLSA-N	361.832	4.932	50	20	FJGD	
COc1cc(O)ccc1/C=C(\C#N)c1ncc(C(F)(F)F)cc1Cl	1248492543	ZWMGDYIYYXIQCI-ONNFQVAWSA-N	354.715	4.532	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(F)c(C(=O)O)c2)CC1	1776779106	RXYVLPQQSJJRSF-BOPFTXTBSA-N	357.425	4.997	50	20	FJGD	
O=C(O)c1ccc2oc(/C=C/c3ccc(OCCCCl)cc3)nc2c1	1777685438	NTFCEPCKRMIXFP-RUDMXATFSA-N	357.793	4.704	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1scnc1C1CCCC1	184019252	NELAMJGIHBWWND-UHFFFAOYSA-N	355.385	4.576	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Oc1ccc2oc3ccccc3c2c1	733909599	WBWGVXISAQXJGA-UHFFFAOYSA-N	368.820	4.857	50	20	FJGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1c(Cl)cccc1Cl	734246869	LMYZOIDEZQNGJK-SECBINFHSA-N	366.273	4.850	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC)c(OC)c2)cc1	746340899	WIBYHHYHTRHEJL-LFIBNONCSA-N	352.459	4.525	50	20	FJGD	
COCc1c(C(=O)NNc2ccc(Cl)cc2Cl)oc2ccccc12	748017658	JKWWHXBDHFSLMJ-UHFFFAOYSA-N	365.216	4.643	50	20	FJGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNc1ccc(Cl)cc1Cl	756035448	MMSWKLUCGINEAZ-QMMMGPOBSA-N	358.191	4.741	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CCCC(F)(F)F)c1C	756794449	RTOOGQGILCAKOG-MFVBVHDHSA-N	369.431	4.659	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1Br	765612879	FXGPUVMYILMPMN-BJMVGYQFSA-N	365.133	4.700	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(Cl)c2ncccc12	769942213	WBJTYXSJCSGINX-UHFFFAOYSA-N	369.837	4.647	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2c(F)cccc2F)c(Cl)c1	771422424	RICWGKXXROEPMS-UHFFFAOYSA-N	354.784	4.554	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1	772805010	DSGDYKXTENZRKS-MLPAPPSSSA-N	359.282	4.959	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Oc2ccccc2)c1	786623213	XSPBFOSBCZGDHN-GHRIWEEISA-N	356.381	4.730	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1cc(Cl)cc(Cl)c1	794935729	SYFGYZILTPVWMK-WEVVVXLNSA-N	354.139	4.767	50	20	FJGD	
O=C(NNc1ccc2c(=O)[nH]ccc2c1)C1(C2CCCCC2)CCCCC1	803431593	ARXWJHCKFXWRNG-UHFFFAOYSA-N	367.493	4.502	50	20	FJGD	
NC[C@@H]1CC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179555	PZBWKNWMOUXGAM-KOLCDFICSA-N	359.364	4.593	50	20	FJGD	
Cc1ccc(-c2nn(C)cc2/C=C(\C#N)c2ncc(C(C)(C)C)s2)o1	843264253	HFNNBCQZBVZQAJ-MDWZMJQESA-N	352.463	4.807	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1Cl	913187831	CNXWJPWFPWZELY-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccc(F)cc1Br	917550110	VOHFMZPLXUXGKD-CIRFYHHZSA-N	367.262	4.997	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccsc2)c1C	918666468	WIVPCYORZCFJDP-SLDJAQPHSA-N	369.534	4.621	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@@H]2CCc3c[nH]nc3C2)c1	921837306	KMQHTTPGJKLJOS-GFCCVEGCSA-N	353.360	4.714	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)c3nc(N)c4ccccc4n3)s2)cc1	1318527606	BMPKHRCVHMRVOE-XNTDXEJSSA-N	369.453	4.708	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3ccncc3)o2)c(C)n1CCC(C)C	1345636564	MDGHUOWHEASRFS-XDHOZWIPSA-N	361.449	4.660	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)cc1	1776271601	BUQVJIRAAAKTHC-WJDWOHSUSA-N	351.377	4.611	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)O)c2F)cc1	1776697488	FYJJBFSFYYOYLI-KWWJGWKXSA-N	366.392	4.583	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1ccco1)C[C@@H]1CCCO1	130228056	BGIOJTYKGRELHM-DLBZAZTESA-N	369.552	4.501	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	159863315	NOVACJGKYLZSQA-UHFFFAOYSA-N	354.397	4.963	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1Oc1cccnc1	171981271	IPEOYPBWDSUPLJ-QGOAFFKASA-N	371.444	4.564	50	20	FJGD	
CC(C)N(C)CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184414117	HFQQUVDDUFZESC-UHFFFAOYSA-N	361.380	4.806	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	255463296	CPVAMORXLLLSNU-WJDWOHSUSA-N	367.811	4.619	50	20	FJGD	
O=C(CCl)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1	309661396	YCVOPGSYHGXWET-UHFFFAOYSA-N	351.258	4.722	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F	726429221	GJVFLPXQOABAQD-ISAHRAOESA-N	358.182	4.573	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc2[nH]ccc2c1	730769134	YEQRKFBSMRFJHC-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1)C1CCCCC1	732716388	PHBRNUHFRWSCLL-RVDMUPIBSA-N	369.465	4.647	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1OCCCC#N	735619715	PQOOSPVRZPRBOP-ATVHPVEESA-N	372.428	4.627	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1	743764083	JSWBENWNAIJHKE-UHFFFAOYSA-N	358.441	4.600	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)Oc1ccccc1F	748670817	WUCKGXPXZSFMDA-CYBMUJFWSA-N	372.465	4.930	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3coc(-c4ccccc4)n3)c[nH]c2c1	749891996	QEORRRYVBYTHAY-MHWRWJLKSA-N	353.381	4.921	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	750606304	DFFBKHYREKDEFC-JMIUGGIZSA-N	350.849	4.799	50	20	FJGD	
CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)O1	757353078	XGYCEZRCBWWMBF-UDZFHETQSA-N	367.820	4.802	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(-c3cccs3)n2)cc1	760138120	BGGGPPBKNUTIJD-OQLLNIDSSA-N	366.467	4.830	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2nc3ccc(F)cc3s2)c(C)c1	761391244	HMXKBQBBDSXDIK-RIYZIHGNSA-N	365.433	4.906	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	766777906	HNRJUTOQSBPHGD-NVNXTCNLSA-N	367.361	4.699	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2c[nH]nc2-c2c(F)cccc2F)c1C	768489997	LQBCCNYMFCAMEU-NTEUORMPSA-N	363.367	4.762	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2c[nH]nc2-c2c(F)cccc2F)c1	768490075	MGZJZZUROISLBG-DHDCSXOGSA-N	363.367	4.762	50	20	FJGD	
CC(CCC1CC1)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	768763804	MIIDADDVRZPSHQ-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	770567405	SAHSKEGRDNQSFC-UUILKARUSA-N	360.175	4.550	50	20	FJGD	
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777845894	XAVIPNZZBCXVJE-SNVBAGLBSA-N	365.389	4.907	50	20	FJGD	
COc1cc(NNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)ccc1Cl	790168501	MCLGMLPGBMEEMY-QZTJIDSGSA-N	366.848	4.749	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)csc2c1	795190893	BJPMNIZUFAHGIB-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1	797054761	LKRFQJIDXXKWPB-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1	799632435	MVGHKKFKGKAXHQ-JOCHJYFZSA-N	374.488	4.677	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(Cl)cc(Cl)c3[N+](=O)[O-])nc12	811691650	PGLSVLMUYZMKGG-ONNFQVAWSA-N	374.187	4.546	50	20	FJGD	
O=C1CCCCC[C@@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	813361795	BVXKLLOTSFQYER-SECBINFHSA-N	363.672	4.629	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2ccccc2OC(F)F)c(C)c1	916410684	HWJFKNVBOPQHCK-CQSZACIVSA-N	363.408	4.601	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1Cl	134288356	NOJZKIYBNXAPGX-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
C[C@@H](C(=O)NNc1nc(C(F)(F)F)cs1)c1ccc2ccccc2c1	152863239	XLONDAIYDRKGPL-SNVBAGLBSA-N	365.380	4.562	50	20	FJGD	
C[C@]1(O)CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184415607	LNLJQLOIXNELPG-ZDUSSCGKSA-N	360.348	4.723	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2nnc(C3CC3)s2)c1	184496355	UVMIDCYKPRCPCQ-UHFFFAOYSA-N	374.535	4.516	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnc2ccccc2n1	191356698	RTRFFCKWMVRLGP-RVDMUPIBSA-N	368.352	4.862	50	20	FJGD	
CC(C)[C@@](C)(O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259596	VYIADKVVEGGPEH-ZDUSSCGKSA-N	362.364	4.873	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1c(-c2ccccc2)nc2sccn12	193767005	BOTVJUGLFJQFSZ-PTNGSMBKSA-N	359.410	4.754	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1	303940529	XGIDSRZRQFWQHI-QNGOZBTKSA-N	368.436	4.586	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Br)cc1	653739753	KYGWGHMUXSLARM-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@H]2C)o1	733779693	GQKXZLWAEGQEGU-UHZMKECTSA-N	370.836	4.919	50	20	FJGD	
CC/C=C(\C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742006665	USSHGLYAHABUDU-QPJJXVBHSA-N	352.059	4.555	50	20	FJGD	
COc1ccc(CC[C@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1	742412058	XFZCZJPFGOPSLE-YJBOKZPZSA-N	367.580	4.847	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@H]1CCSS1)Sc1ccccc1	742786025	QTZWHXPIBPOAAX-HOCLYGCPSA-N	355.594	4.998	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cc2ccccc2s1	752086029	ZAWUPMJHDRITCX-RKPNYOAGSA-N	350.418	4.825	50	20	FJGD	
CCc1ncncc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518917	TUZTZVUBQIKUPJ-UHFFFAOYSA-N	353.316	4.949	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@H](N3CCCC3)C2)cc1	788014842	CIDVFDHZYHQTTL-NRFANRHFSA-N	374.645	4.879	50	20	FJGD	
COc1cccc(Cl)c1CNC(=O)CCCC[C@H]1CCSS1	791009227	BKQJPWANVIBLNN-LBPRGKRZSA-N	359.944	4.679	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813561416	WJTLOLZMDLKKDZ-UHFFFAOYSA-N	368.220	4.529	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@H]1C(C)(C)C#N	814754413	SELCAHDZVPXDAH-OAHLLOKOSA-N	366.490	4.554	50	20	FJGD	
Cc1noc(C2CC2)c1NC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	844626403	ZYLZZYGQJNDODI-UHFFFAOYSA-N	374.750	4.681	50	20	FJGD	
C[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)c2ccccc21	917115880	FQKIDWZQIRHEQN-LJQANCHMSA-N	361.425	4.624	50	20	FJGD	
CCOCc1nnc(/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)o1	1322611403	PBLUDUKPINOUPD-BOPFTXTBSA-N	354.454	4.594	50	20	FJGD	
CO[C@]1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCSC1	1338202586	LUWHFROFKUOSHL-GFCCVEGCSA-N	363.373	4.805	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cnc(Cl)cc2C(F)(F)F)cc1	1521653116	OZHHPFGOCXWXRB-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
C[C@H]1CC[C@](NCc2cccc(O[Si](C)(C)C(C)(C)C)c2)(C(=O)O)C1	1776630163	OYKIUBKSSOPYDK-MGPUTAFESA-N	363.574	4.804	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(Cl)c1OC	6210069	JXBSPLSOJUUPAJ-NTEUORMPSA-N	367.836	4.698	50	20	FJGD	
N#C/C(=C/c1cc(Br)ccc1OC(F)F)c1ccccn1	58601520	SJSIUYNJYYJTLK-XFFZJAGNSA-N	351.150	4.510	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(OC3CCCC3)c2)cc1	97513325	YSPJKEINKGJARF-STZFKDTASA-N	367.470	4.655	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc(COc3ccccc3)n2)s1	105570591	RJIIVTWAHRYWGT-ZROIWOOFSA-N	366.467	4.882	50	20	FJGD	
CC(C)N1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	181780537	QXZMRCHRUUASOF-UHFFFAOYSA-N	373.391	4.902	50	20	FJGD	
CC1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCC1	187560245	AGUFEBKTTODTJX-UHFFFAOYSA-N	351.362	4.565	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@](O)(C2CC2)C1	365817590	BVXCJGXORNNGDN-AWEZNQCLSA-N	372.359	4.723	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cnc(-c2ccccc2)s1	727255660	RGUNEONEINZWFZ-UHFFFAOYSA-N	371.465	4.656	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CCC[C@@H](C(F)(F)F)C1	729514495	GOBBRILBHSGVHB-GHMZBOCLSA-N	371.790	4.700	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(-c2ccc(F)cc2)s1	734249143	LLDNJAOWQIUHOI-UHFFFAOYSA-N	369.446	4.921	50	20	FJGD	
Cc1ccc2c(CCC(=O)NNc3ccccc3C(F)(F)F)c[nH]c2c1	744464615	WJPDZLFXECZRQN-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	748549912	UAYWGWIYBLTFKT-UHFFFAOYSA-N	360.392	4.506	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1c(C)noc1C(F)F	748669602	KCZZPPRAYVWJNT-UHFFFAOYSA-N	365.405	4.871	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1cc(Cl)ccc1Cl	752813412	VTRSVURPPSUOCI-UHFFFAOYSA-N	358.294	4.813	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1CCSc2ccccc21	754146662	CDRCCAGNPQODHO-LBPRGKRZSA-N	370.371	4.567	50	20	FJGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNc1c(Cl)cc(F)cc1Cl	767407718	YMAKILGBXUQQHC-DUXPYHPUSA-N	364.207	4.770	50	20	FJGD	
CC(C)n1c([C@H]2CCCN2C[C@@H](C)CBr)nc2ccccc21	770665904	ICBBQYVNTKQDFJ-WMLDXEAASA-N	364.331	4.785	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ncc(Cl)cc3Cl)oc12	775275212	CMYPUXJVBDJNAT-UHFFFAOYSA-N	364.232	4.817	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	787170086	VIMHAWUSRKGYMU-ODXRKRKHSA-N	361.401	4.704	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cn1	790100689	HDGGLCDLVURUCC-CPNJWEJPSA-N	370.456	4.625	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc2ncccc2c1	794965002	NDBJIWJDLGQVGC-WJDWOHSUSA-N	368.371	4.554	50	20	FJGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)Nc1ccccc1C(F)(F)F	799890625	SAGUQTOZXQCUNT-ZROIWOOFSA-N	364.754	4.990	50	20	FJGD	
O=C(NNc1ncccc1F)Nc1ccccc1SCc1ccccc1	806171189	BTWRFZASHABUMM-UHFFFAOYSA-N	368.437	4.662	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)ccc1OC(=O)CC	843270332	YJLLHDQXASJNAP-DHDCSXOGSA-N	368.458	4.799	50	20	FJGD	
COc1ccc2c(c1)CCCN2C(=O)CCCC[C@@H]1CCSS1	913193125	ZJIDMZDNWIODIW-MRXNPFEDSA-N	351.537	4.689	50	20	FJGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1cc(-c2ccccc2)on1	915957966	FSZMPMHFVNFVHL-UHFFFAOYSA-N	361.445	4.815	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cc1	917516647	BXVUAJNURHIMLO-PDGQHHTCSA-N	369.829	4.938	50	20	FJGD	
Cc1ccccc1-c1cccc(C=NNC(=O)Nc2ccc(C(=O)O)cc2)c1	1776044888	IXFVZDCJUBMDPZ-UHFFFAOYSA-N	373.412	4.516	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(CSc2ccccc2)cc1	45971130	WPHGPRBZWYEQLA-UHFFFAOYSA-N	352.434	4.875	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc(Cl)c1OC	105570758	YZHYUPQJFGUFLR-QPEQYQDCSA-N	361.850	4.907	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(Cl)cc2Cl)ccc1Br	114889732	ZOWLFFWOHFXZJC-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
C[C@H]1CCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	187258265	QMUYWRFDUQKLMH-VIFPVBQESA-N	351.362	4.517	50	20	FJGD	
Cc1ccsc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	212116191	JCRDMRJYYFIGCY-FLIBITNWSA-N	350.415	4.917	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1	731931380	GMWRNDRJXDKWKC-LJQANCHMSA-N	350.393	4.730	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)N(C)C1CCCCC1	732716212	KVLIRMHXZDOVPW-MDWZMJQESA-N	367.276	4.700	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2cccc(C#N)c2)c1C	764611313	AYSJIVZKVPTHID-RHLNUJDMSA-N	361.445	4.598	50	20	FJGD	
COc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1C1CC1	768278632	GERJUQBKKIRJRV-UHFFFAOYSA-N	351.233	4.636	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3nccnc3C(C)C)c(Cl)c12	772875947	RGXKVBZLOUZRDK-UHFFFAOYSA-N	360.870	4.533	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1OC	783686859	AVASCCIUSKJOIZ-UKTHLTGXSA-N	361.850	4.989	50	20	FJGD	
Cc1nc2ccccc2nc1COC(=O)CCCC[C@@H]1CCSS1	786590918	YBFWSMHNAAMWGB-CQSZACIVSA-N	362.520	4.696	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)Nc1ccccc1Cl	787167901	GXLKQLCJILYSSG-VIYDEIPASA-N	367.792	4.740	50	20	FJGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788428188	MFTKPPSEYFQNDY-WDEREUQCSA-N	369.273	4.670	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccnc(Cl)c1Cl	791435362	SSZJFWSRHJQDDM-YRNVUSSQSA-N	366.635	4.896	50	20	FJGD	
CCCOc1cc(OC)ccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791732873	NJVOMYMCWHDYDG-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	791734921	SKOUFACZBSKZIT-RKDXNWHRSA-N	355.187	4.805	50	20	FJGD	
CCOC(=O)c1scnc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	794937662	HXENETPUADMSBG-MDWZMJQESA-N	367.455	4.507	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1cccnc1	797787301	KLICXRFNRHXZBO-CQSZACIVSA-N	372.683	4.925	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3cccc(Br)c3)cc2c1	810042366	RCMOTVNLMLFQNM-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cn1	812241761	IWIWFFDYEYDRBD-KPKJPENVSA-N	368.805	4.831	50	20	FJGD	
CCOc1ccc(NNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1	817879833	QKRIHYGLJUFEOS-CYBMUJFWSA-N	366.383	4.741	50	20	FJGD	
C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	839321096	IYIRYFMEMHBGSW-JTQLQIEISA-N	369.359	4.895	50	20	FJGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841189959	KOYXWQZTOZQVJV-GWCFXTLKSA-N	373.391	4.983	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1	901000492	PAAJMGMBERBGKX-UHFFFAOYSA-N	357.816	4.644	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccccc2F)c1C	914480717	IHYNJWZAZLRTNH-HNMKQIAWSA-N	367.468	4.781	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(OC)ccc3ccccc23)n1	920398924	PIZBRMGREGLZDZ-GXDHUFHOSA-N	364.426	4.546	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)cc1	6957028	ZBDFBVNRJDPBTB-PDGQHHTCSA-N	364.445	4.590	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	7156226	PXAUKHYREDNJDE-FOWTUZBSSA-N	368.408	4.559	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)OCCO2)c1nc2cc(Cl)ccc2s1	13003741	DRCFSTBRIOIMTA-KPKJPENVSA-N	354.818	4.785	50	20	FJGD	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nnc2n1CCCCC2	33775713	ZJTDKJWXJIYDRW-JXAWBTAJSA-N	356.429	4.861	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1F	96948628	NXPVZUGCHKWCDX-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1cccc(Br)c1	161059244	KREAWUYBMMGHOW-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNc1ccc(F)c(F)c1F	728716058	PCDSTFRTGCBBSA-KRWDZBQOSA-N	368.424	4.505	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CSc2ccccc21	735631482	ODYHNFRHNLPFDL-SNVBAGLBSA-N	373.692	4.979	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	741473119	GDXWWJVJUQOLKL-HNMKQIAWSA-N	370.456	4.847	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)C1(c2cccs2)CCCCC1	748217389	NXELFIASLPKGAL-UHFFFAOYSA-N	354.397	4.511	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	748401896	BYIIAXYAWQDVND-MYMYQCDVSA-N	366.427	4.895	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(Cl)ccc2Cl)n1	753682112	BEOKXXOZOPLESK-YHYXMXQVSA-N	353.230	4.691	50	20	FJGD	
CC(C)(C)c1cc(CCC(=O)N2CC=C(C#N)CC2)cc(C(C)(C)C)c1O	767159148	AYMBGQHUHJZMTP-UHFFFAOYSA-N	368.521	4.602	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(CCC(F)(F)F)cc1	771177050	XWDXXZYHHTXQLW-UHFFFAOYSA-N	355.335	4.778	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)s1	773143225	BKUXZXZPBBWECC-UXBLZVDNSA-N	355.312	4.704	50	20	FJGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)c1ccc(C)cc1	773916211	VKJCHACTZMFLSC-GDNBJRDFSA-N	356.219	4.556	50	20	FJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(C(C)C)cc2)cc(C#N)n1C	783454245	BAAPJLDUSWYOFZ-HSGPEQJXSA-N	361.445	4.540	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1csc(CCc2ccccc2)n1	785351658	OJAMJWUJCICLBZ-UYRXBGFRSA-N	374.465	4.579	50	20	FJGD	
CC(C)(C)[C@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	796576513	UHTYMIPAHZHZHK-FQEVSTJZSA-N	369.489	4.759	50	20	FJGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C(\C#N)C(=O)c1ccoc1	806556550	DCFCOKUJEKWFGA-WOJGMQOQSA-N	359.429	4.612	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(F)cccc1Br	812765811	WAGUYIOJUNQTRO-UHFFFAOYSA-N	365.246	4.777	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2cccc(Cl)n2)cc1)c1ccccc1	817010003	HZMBJVDVFKTULX-CQSZACIVSA-N	367.836	4.632	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)cc1	817889288	CWZRSFIIAYFGEE-UHFFFAOYSA-N	351.450	4.621	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)no1	915985106	ILNRGEOLKGRLAI-YBEGLDIGSA-N	373.803	4.640	50	20	FJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1	917097215	HFSBSQYBJMRXSI-UHFFFAOYSA-N	355.462	4.655	50	20	FJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2ccccc2)s1	1252769705	WVTGMWYHWNDKKE-UHFFFAOYSA-N	372.453	4.629	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1	8237345	CEPUMWLNWSMCRO-NISQSXRWSA-N	359.429	4.648	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1cnc2ccccc2n1	191355821	RRQJTXLNRUHZRU-NTEUORMPSA-N	358.401	4.957	50	20	FJGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1	191773078	FPGKAVUMJXYANL-NTEUORMPSA-N	371.405	4.733	50	20	FJGD	
CN(C)C[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192259029	LJRQDRSZKGSJKN-LLVKDONJSA-N	373.391	4.759	50	20	FJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)Nc1ccccc1Br	254926409	JLIFGRPCDIHJNJ-XFXZXTDPSA-N	367.202	4.741	50	20	FJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	588607245	DINZLPPOIKNIFR-GYZOOYGHSA-N	366.486	4.677	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)CC(C)C	726119755	CNUVOTCKWGOWKV-YVLHZVERSA-N	355.869	4.724	50	20	FJGD	
C=CC[C@H](C)C(C)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	727776609	CINJCNUEBYCFBL-HNNXBMFYSA-N	358.445	4.615	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	727975755	HRHRMGKOXCONMQ-OQFOIZHKSA-N	371.145	4.956	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC)cn2)c1C	734827395	AHQAJPRKOFIDMV-GZTJUZNOSA-N	368.506	4.568	50	20	FJGD	
O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1ncccc1Cl	743412295	DXSYKAONZZXBIP-GOSISDBHSA-N	365.864	4.595	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CC#N)cc2)c1C	744236372	OMCPXNUULHNHSO-ZHZULCJRSA-N	360.461	4.517	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2)c(Sc2ccccc2)n1	749284315	QWWUWBKJTXATNY-UHFFFAOYSA-N	369.877	4.952	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)ccc1OC	749674284	MAPJWNTUEFPRPI-ZKMNFCBKSA-N	357.450	4.655	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	750606315	DFFBKHYREKDEFC-KEBDBYFISA-N	350.849	4.799	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1C(F)(F)F	751454330	BJVHWOVLZLKUKI-GVIGZQTCSA-N	362.326	4.629	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cccc(-c2cccnc2)c1	768482801	JDDJQLFTFVFCQH-UHFFFAOYSA-N	365.436	4.595	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccccc3C(F)(F)F)c2)c1	768930651	XYYKVWKTVGYUKW-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(C(F)(F)F)nc1	770080695	TXFFRLDJYDNIGP-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)c1cccc(F)c1	773171602	NWHNBCDINASYKP-PTNGSMBKSA-N	365.795	4.763	50	20	FJGD	
C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773235533	GFEFCYHVPFOGED-CABZTGNLSA-N	372.359	4.587	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(Cl)ccc1OC(C)C	777476982	WGOLCKYAFZCZOE-UHFFFAOYSA-N	369.852	4.741	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781547676	QQRIQYBKRZNHEM-SDNWHVSQSA-N	374.412	4.946	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(F)ccc(Br)c1F	799892244	YZJDZXIPGAYFGB-TWGQIWQCSA-N	368.202	4.887	50	20	FJGD	
N#C/C(=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc([N+](=O)[O-])cn1	812245241	OQYJYACJOPTYCJ-XFXZXTDPSA-N	374.381	4.924	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cn1	812245293	QABZYRJLHGPFQR-WOJGMQOQSA-N	357.369	4.633	50	20	FJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3cccc(Cl)n3)o2)c1	817005937	PNXUFAJILWTNDA-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
C[C@H](c1nc(C2CC2)no1)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844346714	PDKOKSAVGLTHHG-CQSZACIVSA-N	365.594	4.742	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2c(F)cccc2Cl)c1C	914477847	CITYAHADAXZCJB-MHWRWJLKSA-N	373.859	4.531	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)c1c[nH]c2ccccc12	916287754	MMXCXNZQHVTIQO-UHFFFAOYSA-N	363.804	4.845	50	20	FJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2c(Cl)cccc2Cl)c1C	916336800	PBNXCHJVBOEJMW-CYBMUJFWSA-N	365.260	4.528	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3nc(-c4ccncc4)cs3)cc2)cn1	1326879821	PHIAYZRVXRCTML-ZDLGFXPLSA-N	369.453	4.670	50	20	FJGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1	55040710	OXHRJXBHYTUPEN-RAXLEYEMSA-N	357.196	4.686	50	20	FJGD	
C[C@@H]1OCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	184421158	CRKZEVHKEIQXFZ-ZJUUUORDSA-N	360.348	4.985	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	212130465	JQFWWXKJPMCGFW-RAXLEYEMSA-N	361.228	4.938	50	20	FJGD	
COC[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	277382010	IPBCHXLPVOZEBW-JTQLQIEISA-N	360.348	4.844	50	20	FJGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cn1	588577942	LVCAZEABVGXUDM-LCYFTJDESA-N	360.244	4.634	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl	727263727	GTBIKVMPZHGKRT-BRYHAGSVSA-N	366.848	4.689	50	20	FJGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	731835421	CLKRTDPANYCCBL-SDNWHVSQSA-N	367.330	4.799	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Oc1cccnc1	732714332	XVGYXJYWTJKDRR-QGOAFFKASA-N	355.397	4.728	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3cnnc4ccccc34)c(Cl)c12	733809678	COYLWIADTJGKEP-UHFFFAOYSA-N	368.849	4.563	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)s2)cc1	734303733	YDUKMCSFLPXIII-JJBLJPBOSA-N	373.481	4.903	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccc(Oc2ccccc2)c1	734551671	NHNSIEZCZVHJNJ-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc(Cl)ccc1[N+](=O)[O-]	739426522	MVTJRERWCMNFAJ-JYRVWZFOSA-N	365.776	4.828	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccccc3OCc3ccccc3)nc12	741474211	WAZKZFXKRPFQDZ-CPNJWEJPSA-N	366.424	4.910	50	20	FJGD	
CN(C)c1ccc(NC(=O)NN=CC(c2ccccc2)c2ccccc2)cc1	741767597	VNVXOGZSQILJMP-UHFFFAOYSA-N	372.472	4.692	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	748362021	FQZJZVCYMYEHDF-UHFFFAOYSA-N	371.440	4.919	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)o1	751514564	ZLUYCYCICZQHAD-QINSGFPZSA-N	351.402	4.544	50	20	FJGD	
O=C(CCn1ccccc1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753627262	YVUBAWGNIAKACU-UHFFFAOYSA-N	368.327	4.535	50	20	FJGD	
C[C@@H]1COCCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762976350	UCMMNSASTOBGPI-SNVBAGLBSA-N	360.348	4.987	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2sccc2Br)c1C	764889150	WTGUDUUWTHGBJJ-WQLSENKSSA-N	361.264	4.673	50	20	FJGD	
CC(C)n1c([C@@H]2CCCN2C[C@@H](C)CBr)nc2ccccc21	770665910	ICBBQYVNTKQDFJ-YOEHRIQHSA-N	364.331	4.785	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	780374210	KZEFBVVAJSNUAF-VGOFMYFVSA-N	360.291	4.712	50	20	FJGD	
Cc1cccnc1NNC(=O)c1cc(C)c(-c2cccc(Cl)c2)s1	791211117	FFESKHWRONXOCB-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(Cl)cc2-n2cncn2)n1	794941803	YTFRTZGTIQEGAK-ACAGNQJTSA-N	355.854	4.565	50	20	FJGD	
ClCCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1	811464316	CRQLHBLMDBSXKY-UHFFFAOYSA-N	371.908	4.716	50	20	FJGD	
O=C(NN=C1CC(c2cc(F)cc(F)c2)C1)c1cccc2ccccc12	814855948	WOBRRTWVXOAIAB-UHFFFAOYSA-N	350.368	4.781	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc3c(F)ccc(F)c3c2)cc1	816018915	UGYOXJWRPZTUOT-UHFFFAOYSA-N	355.388	4.567	50	20	FJGD	
CC/C=C/CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	832058792	DPBZYBDMSUGMFQ-ONEGZZNKSA-N	351.362	4.589	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1OCC	865985897	KJYWFNIPOZEQSI-UHFFFAOYSA-N	362.857	4.675	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2c(F)cccc2F)c1C	914485400	TXIGIDKCXNZFSO-SWEABUAFSA-N	371.431	4.578	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCO2)c1ncc(C(F)(F)F)cc1Cl	915986906	IGSZJQXSPAHGPV-WMZJFQQLSA-N	352.699	4.547	50	20	FJGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	921189670	OEHZQIYSJUNRPD-MKMNVTDBSA-N	357.196	4.686	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC)c(OCC(C)C)c2)c1	7211422	UTESMWZCIQHYAO-VCHYOVAHSA-N	365.429	4.528	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccc(F)cc1	16978284	FHOWMGNNGQRXIS-SDNWHVSQSA-N	362.316	4.784	50	20	FJGD	
CN(CC(F)F)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	119255936	QJQPYICRCJSJDJ-JTQLQIEISA-N	362.751	4.635	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1OCC(F)(F)F	125435014	ULTNUVUSXGSKCK-MLPAPPSSSA-N	368.380	4.774	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1c(Cl)cccc1Cl	128713581	FQRRJWWZMYSZIK-WTKPLQERSA-N	371.145	4.956	50	20	FJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1ccc(Cl)c(F)c1	130450613	KUQTUCULHXAJGZ-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ncc(Cl)cc1Cl	132631696	WYGFMKZGCIEVBP-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
CC[C@@H](NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1F	160680768	FCGFTICLWFPRMG-OAHLLOKOSA-N	359.203	4.657	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)Nc1ccccc1C(F)(F)F	172816242	BVQVFBAYPXEGNI-WJDWOHSUSA-N	356.347	4.740	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1ccccc1C(F)(F)F	209886628	YDJBIYODJVVZKF-CLFYSBASSA-N	356.756	4.966	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccccc1F	212678825	FHSOQQQYSVYJPY-KAMYIIQDSA-N	362.316	4.784	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1ccc(F)c(F)c1F	727759682	PZCIIZOAINTRGV-UHFFFAOYSA-N	370.330	4.689	50	20	FJGD	
C=CC[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	735170609	NPEQJHLQDHHRCO-BXKDBHETSA-N	352.809	4.992	50	20	FJGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)c1ncc(-c2ccccc2)o1	766749759	PDTWNYMHHSFKHS-BXUZGUMPSA-N	366.255	4.755	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccc(Cl)cc1Cl)c1ccc(OC)cc1	775781312	IZGFZTFTZBMQRD-CQSZACIVSA-N	353.249	4.639	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)c1ccc(OC(F)F)cc1	776256085	AUBGJAASBLJQGP-DHZHZOJOSA-N	351.711	4.870	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1Oc1ccccc1	777460748	WEASPSUXBXOJSL-UHFFFAOYSA-N	355.397	4.784	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCN1C1CC1	787523723	CCSBGRNZBNAKQR-ZDUSSCGKSA-N	356.360	4.909	50	20	FJGD	
O=C(O)CCCOc1ccc(C(=O)/C=C\c2cccc(CCl)c2)cc1	799889310	MJQKLGXPIOARSR-WDZFZDKYSA-N	358.821	4.565	50	20	FJGD	
Cc1cnc(COCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	803109835	VDHCITXSRWJMJC-UHFFFAOYSA-N	372.315	4.796	50	20	FJGD	
COc1ccc2cc(NC(=O)NNc3ccc(Cl)c(OC)c3)ccc2c1	806619179	MNKLSMIJUWEOFK-UHFFFAOYSA-N	371.824	4.659	50	20	FJGD	
COC(=O)N1CCC(NCc2cccc(S(F)(F)(F)(F)F)c2)CC1	840892013	HGNOAYXIAVTNNR-UHFFFAOYSA-N	374.375	4.664	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3nc(C4CC4)cs3)c2C)no1	843266772	ZIGYWIXIPFYGGY-PXNMLYILSA-N	350.447	4.789	50	20	FJGD	
CC(C)n1ccc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)n1	844347342	XFCQMUHTPLLAHC-UHFFFAOYSA-N	351.611	4.698	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2oc3ccc(Br)cc3c2C)c1	857830607	QEFFUXBGNACLHF-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCOC2(CCC2)C1	887901472	DYPCNYIXIQOJSH-MRXNPFEDSA-N	358.507	4.672	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@]12CCNC2	904412837	ZZFMFZAUPFSECZ-CQSZACIVSA-N	371.375	4.704	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C\c1c(C(C)C)nn(-c2ccccc2)c1Cl	914557539	IDTASBJSIGCHQS-UVTDQMKNSA-N	357.841	4.508	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3nc(C)oc3c2)c1C	933546335	QCUKMTXERDNCJY-YVLHZVERSA-N	362.433	4.510	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3cc4ccccc4o3)cc2)cn1	1116875759	LNQHTAPDWVPPAA-ZDLGFXPLSA-N	353.381	4.623	50	20	FJGD	
CC(C)n1ncc2c1[C@@H](NCc1ccc(OCCCCl)cc1)CCC2	1118321128	IUAZNNIRTWNZBE-IBGZPJMESA-N	361.917	4.639	50	20	FJGD	
COc1ccc(C(=O)NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1	1317671216	HPXVCTHTPZBOCV-UHFFFAOYSA-N	369.424	4.607	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(F)c2cccnc12	164624787	PGVAIDDBXXHJLV-RVDMUPIBSA-N	355.372	4.954	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCOc2ccccc21	175638831	LMZURZUQDJEWNW-SFHVURJKSA-N	366.486	4.889	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)c2)oc1C	182298828	MARRGFDDVDKVHC-YVLHZVERSA-N	361.376	4.643	50	20	FJGD	
CC(C)N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCCCl	228326797	AWVKYXCOZSGQBG-UHFFFAOYSA-N	372.745	4.553	50	20	FJGD	
CSCc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1	727360429	AWXOYRXYYCXECS-UHFFFAOYSA-N	369.939	4.522	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCO[C@H](c2ccccc2)C1	729846752	DQYQDDATHUOUMY-MSOLQXFVSA-N	365.564	4.691	50	20	FJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)c1nc(-c2ccncc2)cs1	737444058	NLUQIYRPRVSJPN-QPEQYQDCSA-N	363.833	4.570	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c(OC(F)F)cc1C	742349621	PGIRAVLEFDIVDP-LFIBNONCSA-N	362.420	4.603	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	747041021	DLNVDOQTEINPIY-UKTHLTGXSA-N	361.228	4.856	50	20	FJGD	
C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1	754125760	YNYCMXYPAMIJQQ-IBGZPJMESA-N	355.462	4.559	50	20	FJGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccccc1SCc1ccccc1	755534771	NKYHEDWELVMEDV-UHFFFAOYSA-N	371.506	4.568	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1Br	767877562	HGBPLLLGEVUYSD-NTEUORMPSA-N	352.235	4.708	50	20	FJGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	779758592	VTAILSYKBGNZLL-MRXNPFEDSA-N	372.472	4.983	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)cc1	798344376	DREKLJLSGQJAFW-CLXYIWAZSA-N	350.466	4.832	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cnc3ccccc3c2C(F)(F)F)c1	879681034	JZSLJOOJJQLXDU-UHFFFAOYSA-N	359.351	4.627	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccccn2)c(C)n1C1CCCCC1	912651061	UPUJQTWCEIQFRU-UYRXBGFRSA-N	363.461	4.656	50	20	FJGD	
COc1ccc(C)cc1NC(=O)NN(Cc1ccccc1)c1ccccc1	915307323	USDKTNOYSJBEJM-UHFFFAOYSA-N	361.445	4.747	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccc(C)o2)C2CC2)c1C	916443587	OYGMAZVEILOUNN-UNOMPAQXSA-N	365.477	4.515	50	20	FJGD	
Cc1ccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	918560413	YWRAKLRBXWBDLY-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)cc1	1116348829	AJZHPFNFXNKZJM-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)c(C)n1CC(F)(F)F	1323206410	PVGWRIRLGGQGNP-VCHYOVAHSA-N	372.390	4.946	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3ccc(Cl)nc3)o2)c1C	1324151158	JSAHWHBPKSDGHR-SXGWCWSVSA-N	367.840	4.678	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC(F)F	8202142	BXDVRXOJPXNGGZ-UKTHLTGXSA-N	361.319	4.616	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1C	11291643	XZINJIKIXNNTJA-OQLLNIDSSA-N	370.836	4.520	50	20	FJGD	
CCSCc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	134273781	UZYKQNZTKRSYIC-UHFFFAOYSA-N	370.396	4.595	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2Oc2ccccc2C#N)c1	182363125	IHIUAPIZRMZTIK-UHFFFAOYSA-N	357.413	4.724	50	20	FJGD	
C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183467344	IHQGKLDHPYOWAL-JTQLQIEISA-N	372.359	4.684	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1C	211558601	XDJWFUREDZGLGO-MOSHPQCFSA-N	363.461	4.653	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(C)cc2)c1Cl	726430569	UOQAWHZWLDIZSQ-AYCSXLNKSA-N	355.869	4.724	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)C12CC3CC(CC(C3)C1)C2	733201655	NNOQMZVELDTQBO-UHFFFAOYSA-N	368.374	4.511	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c(C)c1	743762738	JJXQNAGZVSDELU-IAGOWNOFSA-N	373.294	4.621	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	748764154	WQIINDRDCAETHY-HOTGVXAUSA-N	372.255	4.788	50	20	FJGD	
CO[C@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1Cl	763814542	NVWQVWWDKSQVJU-XJKSGUPXSA-N	373.971	4.858	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cnc(-c3cccs3)s2)ccc1[N+](=O)[O-]	774561450	PNVZNKSRFABSHQ-GHXNOFRVSA-N	369.427	4.853	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	780372598	ABHPTSBSUKVFOB-SXGWCWSVSA-N	373.378	4.735	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3ccccc3)ns2)cc1	780804049	ZRKRNWAHXOWGTA-UHFFFAOYSA-N	351.475	4.865	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)cs2)cc1	782199863	JWVKFTPFOXBWDJ-ACLQVGRQSA-N	354.431	4.505	50	20	FJGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1cc2ccccc2s1	788361049	SEOLLNXOQDWNBT-FOWTUZBSSA-N	355.422	4.877	50	20	FJGD	
C[C@H](C=NNC(=O)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1	788952582	ZEXMFSMXJSVMPJ-GFCCVEGCSA-N	359.351	4.706	50	20	FJGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791733123	HTTUFBFFDCWHJL-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
N#C/C(=C/c1cscc1Br)c1nc(-c2ccccc2)no1	794686314	NPKBIBNGBPBCBE-WDZFZDKYSA-N	358.220	4.625	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)n1	794873207	QRIIPZRCTHWUDW-MDWZMJQESA-N	361.417	4.924	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1	798988880	DIPSGKHGBFFIMG-ZDUSSCGKSA-N	373.378	4.809	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(COc2ccc(F)cc2)o1	799757402	VHZZFBSPEQXAPE-UHFFFAOYSA-N	368.408	4.625	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1	817925858	UGZCFNPSABQKAC-UHFFFAOYSA-N	356.422	4.710	50	20	FJGD	
CC(C)C(=O)Nc1cccc(NC(=O)NNc2ccc(C(C)C)cc2)c1	836257841	GPROXAXPVKJZRU-UHFFFAOYSA-N	354.454	4.553	50	20	FJGD	
C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	920807720	APRACNJWPNIRGT-XMTFNYHQSA-N	370.628	4.564	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3ccccc3Cl)c(Cl)nc12	1115812899	FFVNZLSHEZLSBL-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
Cc1cc([C@@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)c(C)o1	1320993612	MARCYHZBJJFICZ-GOSISDBHSA-N	367.429	4.561	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1cccc2ccccc12	6410863	PQAJVYSEFNPEAR-FOWTUZBSSA-N	364.351	4.987	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2c(C(C)C)nn(C)c2Cl)c(C)c1	44022964	ZJVFQONIUKJXBD-DHDCSXOGSA-N	370.884	4.668	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCO[C@@H](c2ccccc2)C1	152966882	KFOAQRFNDNSTQV-RCCFBDPRSA-N	365.564	4.737	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@@H]1c1cccc2ccccc12	178488613	OUHIKDGAXNRDOY-RTWAWAEBSA-N	353.425	4.635	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1C	209648888	YCCUEZHCHXEKEI-UVTDQMKNSA-N	360.335	4.568	50	20	FJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1nc2ccccc2n1C(F)F	255873155	RIBQZZPJOHEUGM-YRNVUSSQSA-N	369.762	4.797	50	20	FJGD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	377224818	VSDCGORPGUTKKH-CVEARBPZSA-N	367.584	4.671	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3c(F)cccc3F)c(Cl)c12	735692909	RXZNPGSKLCONCV-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Oc2ccccc2)cc1	740140319	WBSWRVKEOOGITQ-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1[nH]c2ccccc2c1Cl	747589824	QPNZOSGEUHYRGX-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
Cc1ccccc1COc1ccccc1C(=O)NNc1c(F)cccc1F	748171309	MYABGIXKPXMNCX-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1ccccc1F	757918232	ANFBTHFQYIGBDM-GHXNOFRVSA-N	367.273	4.696	50	20	FJGD	
CSCc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767395884	LIHQCVMFYZXVCQ-UHFFFAOYSA-N	359.253	4.752	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC=CCC1	779013373	LHKZMZMAADSJLS-LBPRGKRZSA-N	350.793	4.700	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H]1c1ccccc1Cl	781079407	JBKCMJFXXPMNOF-KBPBESRZSA-N	358.707	4.813	50	20	FJGD	
CC[C@@H]1C[C@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	781549258	CLKKJWJJQCLVFV-MWLCHTKSSA-N	365.688	4.685	50	20	FJGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1cc(Cl)cc(Cl)c1	791731535	CNEDRFWTKVKNAD-WAYWQWQTSA-N	364.257	4.760	50	20	FJGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2ncccc2Cl)c1	799836319	HCZGFJDSEIDWMN-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1F	799891486	FEDNRQMANLKYSN-KPKJPENVSA-N	367.273	4.782	50	20	FJGD	
O=C(NCC(Cl)Cl)c1ccccc1-c1ccc(C(F)(F)F)cc1	808131614	PSFSVWJFGGZXCX-UHFFFAOYSA-N	362.178	4.906	50	20	FJGD	
N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc([N+](=O)[O-])cn1	812245837	ZAXPXLOKLYMTLQ-QCDXTXTGSA-N	374.183	4.680	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812246121	DNXBIXHYEWXCPB-IZZDOVSWSA-N	370.277	4.775	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)F)ccc1OCc1ccccc1	834446918	GGFLIHRKKRYUGO-PDGQHHTCSA-N	367.420	4.888	50	20	FJGD	
N#C[C@@H](C(=O)CCCC[C@@H]1CCSS1)c1nc(C2CC2)cs1	842937673	GCSYRPOGJWWXEM-OLZOCXBDSA-N	352.550	4.911	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2cccc(Cl)c2)c1C	912718164	LXVFTKVWOAXCNR-BOPFTXTBSA-N	370.884	4.609	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)c1cccc(Cl)c1	917538994	RKFVHOITQIQEMU-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc2cnn(C(C)C)c2nc1Cl	1317825937	NXGWJXCPDTXYBP-NVNXTCNLSA-N	364.836	4.764	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1	7157784	WHWTYMKRSKUZBA-OQLLNIDSSA-N	355.235	4.612	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1Oc1cccnc1	52026428	LZZJLGFFOSDWOL-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCO2)c1nc(-c2ccc(C#N)cc2)cs1	63279210	GBINMCLLZDBTFK-YVLHZVERSA-N	371.421	4.517	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3ccccc3Cl)o2)c1	156512004	RQIQIJXKYFCKQW-UHFFFAOYSA-N	360.772	4.505	50	20	FJGD	
CC[C@@H](CC#N)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	157022022	ALMCCCATGUIFSX-CABZTGNLSA-N	365.808	4.720	50	20	FJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1sc2ccccc2c1Cl	729638496	OJTNLILZZMETMX-UHFFFAOYSA-N	367.861	4.660	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)cc(Cl)c1OC)c1ccccc1	731933517	ZAVHWZJXPYCLBY-HNNXBMFYSA-N	365.260	4.646	50	20	FJGD	
Cc1cc(C)c(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c(C)c1	743764598	ODNNVRXBZUQIPK-UHFFFAOYSA-N	362.395	4.806	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1Nc1ccccc1	748638206	VLLISVBNSRWCGI-UHFFFAOYSA-N	369.371	4.789	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccncn1	758915555	ZOOIUIUYXLBRRI-GHXNOFRVSA-N	358.348	4.683	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1(C2CC2)CC1	761616639	BFLCQAVQXBFAQB-LBPRGKRZSA-N	364.820	4.970	50	20	FJGD	
C[C@H]1[C@@H](C)N(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1C	762975529	NUVOUHHMQGKWFM-WDEREUQCSA-N	373.391	4.900	50	20	FJGD	
COc1ccc(Br)c(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1	764883619	AQCBGQKWQOZYOQ-DHDCSXOGSA-N	356.219	4.556	50	20	FJGD	
O=C(NCCC1CCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773391944	PCQDRAMRQAULEX-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
Cc1ncc(-c2ccccc2)cc1NC(=O)NNc1ccc2ccccc2n1	775691190	RQOCLLFUMALEMR-UHFFFAOYSA-N	369.428	4.754	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c(C)oc3ccccc23)cc1	787155584	TWQBFIQXEBNQOB-VMOJBDSFSA-N	360.413	4.534	50	20	FJGD	
CSSCCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl	790880936	ZUJAUEOEUSGELG-VIFPVBQESA-N	353.340	4.707	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Br)cc1Cl	799757328	RERGQPNKQFRWCD-UHFFFAOYSA-N	367.674	4.730	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cscc2C(F)(F)F)cc1	811626428	IHJOMOYFEINJNB-YRNVUSSQSA-N	366.364	4.711	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cc1	831631649	LVOXMYFCGNNOCK-XRXFAXGQSA-N	371.597	4.594	50	20	FJGD	
CCn1cc(C=NNC(=O)Cc2cccc3ccccc23)c2ccccc21	915048588	HXZGHAOXAUUMHH-UHFFFAOYSA-N	355.441	4.507	50	20	FJGD	
Cc1cc(C)c(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)c1	916349106	JYVVUXUPULVFCL-UHFFFAOYSA-N	363.486	4.808	50	20	FJGD	
CCC[C@@](C)(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776750900	WTUZXMSEFYQHNR-LJQANCHMSA-N	351.563	4.804	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1	1967095	ZDVLHZONMCDKPZ-XSFVSMFZSA-N	355.459	4.512	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F	7740820	KSQWBFUCLLQYNH-NTEUORMPSA-N	360.316	4.659	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)n1	155186763	UMIZWJMOEQFLPA-KPKJPENVSA-N	372.519	4.710	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC	212681128	MMRUGBMNDMVHNF-VBKFSLOCSA-N	353.393	4.803	50	20	FJGD	
CC1(C)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@H]1O	277418196	MGFHQYUCOIDLQN-GFCCVEGCSA-N	374.375	4.969	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	726594153	HOOASDIIHQHAND-NWRYFCBHSA-N	351.406	4.525	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c(OC(F)F)cc1C	742349622	PGIRAVLEFDIVDP-WJDWOHSUSA-N	362.420	4.603	50	20	FJGD	
CCC(CC)c1cc(CNC(=O)NNc2ccc(Cl)cc2Cl)on1	745866411	XPWBCIXILOYQCS-UHFFFAOYSA-N	371.268	4.711	50	20	FJGD	
Cc1nc2ccccc2c(C)c1C(=O)NNc1ccccc1C(F)(F)F	747406117	ULKPCIJWEFCENM-UHFFFAOYSA-N	359.351	4.627	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Br)c(Br)c1	757528027	SAVQJMMNSFRBST-NJQKBMNKSA-N	371.072	4.734	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1/C=C/c1ccccc1	768417756	RQPAENOJXGJQQX-HMUVLFPJSA-N	350.300	4.500	50	20	FJGD	
CC[C@@]1(O)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	779452551	OOOPLOJWWBCLQF-CYBMUJFWSA-N	360.348	4.723	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1cccc(C(F)(F)F)c1	782303365	XGWLUTZTWGVRLA-WDZFZDKYSA-N	363.364	4.585	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3)c2Cl)s1	789141142	AYTLXRMWLCRGRL-DHDCSXOGSA-N	367.861	4.745	50	20	FJGD	
CC(C)(C)[C@H](CO)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792881735	OBBPKNKLWWGRDS-SFHVURJKSA-N	351.607	4.705	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1-c1ccccc1C#N	799757454	XMOBUYGIMHPGLN-UHFFFAOYSA-N	355.441	4.853	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c(-c2cnn(C)c2)c1	801648079	NIKORVISPATPEO-VCHYOVAHSA-N	367.408	4.932	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cscc1Br	812768291	NODODBGRPIPTOD-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	813139491	GYAYCJDHFRWNCP-UYAOXDASSA-N	367.493	4.665	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Cl)c(F)cc1Cl	815853994	JVGFRENZKCJOQM-UHFFFAOYSA-N	353.224	4.768	50	20	FJGD	
NC[C@H]1CCCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190852	UCKBAQFLMYKTHJ-LLVKDONJSA-N	359.364	4.689	50	20	FJGD	
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCCC[C@H]1CCSS1	841465490	GRXLMCHGPOSKGK-FUHWJXTLSA-N	360.548	4.766	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)c1C	875107833	AROUUCGACLDIRD-VXIUPONVSA-N	373.541	4.550	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1csc(-c2cccs2)n1	899892658	FPNHYWZUYACSBI-UHFFFAOYSA-N	360.416	4.616	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	6051204	ZSKZUQAZPFQPSV-AQTBWJFISA-N	364.445	4.728	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(F)c(Cl)cc1Cl	61038070	YAIYSLBPIRCOIA-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	65999260	ROXYPCXSQHIDTD-UVTDQMKNSA-N	371.223	4.551	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)c3c[nH]c4ccccc34)c2C)no1	84080248	PIGYYFCQWDDSQY-YVLHZVERSA-N	370.412	4.662	50	20	FJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNc1ccccc1Cl	92761066	ZQONKTCJILPKBL-LBPRGKRZSA-N	360.870	4.883	50	20	FJGD	
COc1cc(C)sc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	303516709	CFFLFFDXKVTYLW-UHFFFAOYSA-N	365.669	4.782	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)C(=O)OC1CCCCC1	731494998	JHBMGARAJSQOBW-XYOKQWHBSA-N	355.768	4.724	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc2c(c1)-c1ccccc1C2	734249351	VACBNUNPGHADCN-UHFFFAOYSA-N	357.438	4.624	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)s2)cc1	734303145	FFEAUIJTWDCHOH-GDNBJRDFSA-N	363.417	4.803	50	20	FJGD	
CCn1nc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c2ccccc21	769741793	DYNIERPZGHRCKH-RVDMUPIBSA-N	357.442	4.639	50	20	FJGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2	771872453	VVEBAXHUNSVTMM-UHFFFAOYSA-N	368.374	4.511	50	20	FJGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)c1ccc2ccccc2c1	771877698	WNEDPBBPWVAHSJ-UHFFFAOYSA-N	360.310	4.762	50	20	FJGD	
CCCCCOc1cc(/C=C(/C#N)c2cc(SC)ncn2)ccc1OC	773175537	FPPJRBXKLJYISV-YBEGLDIGSA-N	369.490	4.840	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(SC(C)C)cc1	777478329	AYUJPGOCAGLSBE-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
C[C@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CC1	777909714	DDJCBOFCDDAVFT-SECBINFHSA-N	365.389	4.668	50	20	FJGD	
C[C@H]1CCc2c(C(=O)NNc3ccccc3OC(F)(F)F)csc2C1	779200571	BIRBMCITBJEPBP-JTQLQIEISA-N	370.396	4.528	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1coc(-c2ccc(Cl)cc2)n1	785350912	KIIUYIXXLXJCPQ-MHWRWJLKSA-N	364.788	4.645	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	786039687	GCXDCPNPQVKEPM-UKTHLTGXSA-N	370.257	4.943	50	20	FJGD	
CN(Cc1ccccc1-c1ccccc1)C(=O)/C(C#N)=C\c1ccc(O)cc1	787292171	ZPFVJOCESOJJOG-QNGOZBTKSA-N	368.436	4.625	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)c1nc(-c2ccncc2)cs1	788097085	GOURYDXZXSHCSI-JYRVWZFOSA-N	362.439	4.986	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)s1)C(=O)[C@H]1CCCOC1	794884328	OSTARHZRMUHLBC-ODUNQGDFSA-N	357.862	4.971	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)ccc1SC	794885699	VRDKJSJNRRMPJY-LICLKQGHSA-N	360.438	4.755	50	20	FJGD	
Cc1ccc(NNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)cc1	812459011	RJHGPYBHCVRQAB-GFCCVEGCSA-N	365.246	4.534	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(SC)c(Cl)cc2Cl)cc1	817879133	CUGBTOVDTPAHIA-UHFFFAOYSA-N	371.289	4.871	50	20	FJGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1cccc(Cl)c1	834733566	NZNMVJAGKQRRCM-ZZODWALSSA-N	367.832	4.688	50	20	FJGD	
Cc1cccnc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	843072709	FTUJTYXPETWVGQ-CPNJWEJPSA-N	362.477	4.859	50	20	FJGD	
N#C/C(=C/c1cc(Br)cnc1Cl)C(=O)C1CCCCC1	843269579	PTEPHKBPHYRPRW-SDQBBNPISA-N	353.647	4.554	50	20	FJGD	
CC(C)c1noc([C@H](C)N2CCC(CO[Si](C)(C)C(C)(C)C)CC2)n1	844347313	VONZGGLSVPUUKW-HNNXBMFYSA-N	367.610	4.988	50	20	FJGD	
CC[C@@H](C)N(CC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	850501072	JQNDVDGXSPPJPW-SNVBAGLBSA-N	374.375	4.930	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1cc(Cl)sc1Cl	932522737	HQEGXLXZBOFRGL-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
Cc1ccc(OCc2nnc([C@H](Br)C(C)(C)C)o2)cc1C	1331896564	ZUASSXMIAMBOPP-AWEZNQCLSA-N	353.260	4.748	50	20	FJGD	
Cc1cc(C)c2cc(C(=O)NNc3cccc(C(F)(F)F)c3)sc2n1	1349598013	DRLRWBGZURORKD-UHFFFAOYSA-N	365.380	4.689	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Cl)sc1Cl	60741839	NIBQNYIGGPRGMQ-UHFFFAOYSA-N	355.168	4.831	50	20	FJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	205666325	UKUCBWGNAHQYGH-ZROIWOOFSA-N	369.808	4.917	50	20	FJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	254973037	WKQYQWUYXOMNAN-XFXZXTDPSA-N	356.303	4.997	50	20	FJGD	
COc1ccccc1-c1ccc(C(=O)/C=C\c2cnn(CCCl)c2)cc1	255555271	WGFNBIOKVQVLOP-WDZFZDKYSA-N	366.848	4.694	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2csc(-c3cccs3)n2)cc1	728440043	RZSHYITXACBLDY-DHDCSXOGSA-N	372.496	4.518	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)ccc1OC	729820459	RWRSEJIPGJJGOJ-CXUHLZMHSA-N	353.443	4.810	50	20	FJGD	
CCCCOCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	735632369	ONCDXKBTKQYFFP-ZDUSSCGKSA-N	355.809	4.661	50	20	FJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ccc(F)c(F)c2F)cc1	738526784	PCASEAITQOHFKJ-GFCCVEGCSA-N	350.384	4.864	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1C#N	741844758	SHPYYWNPYGXMEF-RZNTYIFUSA-N	357.196	4.664	50	20	FJGD	
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)c2ccc(F)cc2O1	742091958	KJNVOXHESTVMJZ-GXTWGEPZSA-N	355.500	4.654	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(OC(F)F)cc1C	742345831	CIJHFQDFGDGTAD-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c(C)c1	743762739	JJXQNAGZVSDELU-IRXDYDNUSA-N	373.294	4.621	50	20	FJGD	
Cc1cc(F)ccc1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	750923253	VDXFTAUSIKKQHA-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCC2)c(C)n1C1CCCCC1	758775105	RDKVTTPRFJMCNU-XMHGGMMESA-N	353.510	4.918	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cc2n(n1)CCCO2	762261330	CBFQLBWHDCURHC-UHFFFAOYSA-N	369.315	4.575	50	20	FJGD	
CC(C)(C)c1ncc(C(=O)NNc2c(Cl)cc(F)cc2Cl)s1	767402978	SOQIEDXSKRWNEP-UHFFFAOYSA-N	362.257	4.643	50	20	FJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1c(F)cccc1Cl	770203878	WGCUGQPRXJMADP-NSHDSACASA-N	360.738	4.658	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)c1ccc(OC(F)F)cc1	776720240	JRVPUQCKAVDFKU-XGICHPGQSA-N	351.711	4.870	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	779752036	NBJVODHKWSAANL-LFIBNONCSA-N	354.837	4.901	50	20	FJGD	
Cc1ncccc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782934806	UHVKPYLBVTYZMA-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3c[nH]c4cc(C)ccc34)sc2c1	788691636	ZPFIRXRQJVTEIB-JYRVWZFOSA-N	373.437	4.885	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc2ncccc2c1	794885616	UJSUXOXTEBHCBQ-OQLLNIDSSA-N	363.760	4.586	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)C(F)(F)F)c(C)n1C1CCCCC1	807896957	FIRJOAZKRJEGHS-KNGSKEOJSA-N	367.415	4.584	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1	808247313	WARFYNIWTCGTCZ-UHFFFAOYSA-N	360.187	4.633	50	20	FJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1OC	809146570	QRHUDROHKGVFOD-ZDLGFXPLSA-N	365.429	4.509	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2cccc(F)c2Cl)c1C1CC1	860841230	ZXPNQOHLZZJDOJ-JTQLQIEISA-N	365.840	4.673	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C	914484132	ALWLDZWQFRNPAT-RIWZNOJBSA-N	374.488	4.561	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)cc1	921262766	YVGDWSHWDYWBKJ-LFIBNONCSA-N	374.362	4.736	50	20	FJGD	
C[C@@H](CCCC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776410904	FGADZFYNLWVHHE-HNNXBMFYSA-N	351.563	4.804	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)cc1	1776697730	OVFMZAXOEZQOSS-VVBXCHJUSA-N	366.392	4.583	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccccc3)o2)c([N+](=O)[O-])c1	14150401	PJBJMCFIUGSMCW-RVDMUPIBSA-N	374.352	4.653	50	20	FJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1cccc2cnccc12	178498947	SNXSHAZAXPBPCW-LBPRGKRZSA-N	357.866	4.512	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(C(F)(F)F)ccc2Br)c1	178506505	QUIIXEVHUVSCKP-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CC(C)(O)CN(Cc1ccccc1)C(=O)CCCC[C@H]1CCSS1	182831436	GMKIVUKNQZJGIH-KRWDZBQOSA-N	367.580	4.500	50	20	FJGD	
Cc1cccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)n1	188028481	MGTYWLULMVTCLX-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CC1(C)[C@H](O)C[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	189378469	OXHHEOFSAOPALW-GHMZBOCLSA-N	360.348	4.625	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1OCCCC#N	194769638	FOBWAALCKHSUBK-LFIBNONCSA-N	366.442	4.538	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(C2CC2)cnc1Cl	281346952	WNYJSYAUZFNPLW-UHFFFAOYSA-N	373.737	4.527	50	20	FJGD	
C=CCOc1ccccc1CNC(=O)CCCC[C@H]1CCSS1	303521233	QCYWBQWPYQFHMZ-INIZCTEOSA-N	351.537	4.582	50	20	FJGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1	730574960	HUWBEXDNWDJSOQ-KAMYIIQDSA-N	373.250	4.532	50	20	FJGD	
O=C(CCCCCc1cccs1)NNc1ccc(Br)cc1	731454904	UHIKSSKXVSHIQR-UHFFFAOYSA-N	367.312	4.757	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccc1Br	734252922	LUGHOZPRBSZUIA-UHFFFAOYSA-N	372.266	4.613	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@@H]1CCSS1)Oc1cccc(Cl)c1	742140619	DVTGLLPTHQNNMQ-CZUORRHYSA-N	373.971	4.938	50	20	FJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1nc(-c2ccncc2)cs1	744857191	IJCNKHZTYJCYQP-BRRADNGLSA-N	372.453	4.697	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(F)c2)cc1	747086833	CLFOYJQZXVEEGH-RQNDZEIBSA-N	352.409	4.893	50	20	FJGD	
CC[C@H](C(=O)NNc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1	748562573	UJEQKDBPBUHHBP-HNNXBMFYSA-N	354.347	4.790	50	20	FJGD	
CCN(C[C@H](C)C#N)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	751336657	KHTJZBVVPSPWMH-DDLUMYACSA-N	366.509	4.525	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccccc1)[C@H](C)c1ccccc1C(F)(F)F	766834180	LFUCHONHWNSQRV-QWHCGFSZSA-N	351.372	4.524	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1Cl)c1cn(C)c2ccccc12	773459178	PCMNYDUGFJXHPE-LLVKDONJSA-N	362.260	4.732	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(-c2ncco2)cc1	777608364	GFCKTUNNHLBGTP-UHFFFAOYSA-N	363.204	4.797	50	20	FJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1cccc2c1CCCC2	793711117	DDJPEIRUDXLKQS-UHFFFAOYSA-N	361.445	4.594	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c(-c2cnn(C)c2)c1	801648482	SBJGQNZPSSPQRQ-ODLFYWEKSA-N	355.441	4.802	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1	812248087	CSJVLMJWHJWSHM-KMKOMSMNSA-N	358.241	4.889	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCNC1(Cc2ccc(F)cc2)CCOCC1	815130534	LEHLHLJSDGBTDH-UHFFFAOYSA-N	367.581	4.529	50	20	FJGD	
COc1ccc(NNC(=O)CC/C=C/c2ccccc2)c(C(F)(F)F)c1	816702824	DBDUXGHADBERLY-WEVVVXLNSA-N	364.367	4.651	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C(=O)NC1CC1	817913791	SPDFIRRGOZPUMM-FMIVXFBMSA-N	362.376	4.619	50	20	FJGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccccc1Oc1ccccc1	846462816	XMNUZAQFDKMEPF-ZDUSSCGKSA-N	352.356	4.901	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cnc(-c2ccccc2)nc1	858800836	VTSFDFZFGUENOT-MRXNPFEDSA-N	359.520	4.796	50	20	FJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)C(C)C)cc1	915990490	MDHVXSPYQSLQIE-CPNJWEJPSA-N	355.441	4.980	50	20	FJGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-c2ccc(Cl)cc2)s1	917551476	VDAQWYHWSHUMIW-UHFFFAOYSA-N	360.788	4.861	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(O[C@@H](C)CC)c2)cc1	919998348	XIUUJOUJPAZPOW-CQUHBBLWSA-N	364.445	4.808	50	20	FJGD	
Cc1cc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)no1	921266714	FHVRQFZALXCKGF-WOJGMQOQSA-N	367.449	4.557	50	20	FJGD	
O=C(CCOc1cc(Cl)ccc1Cl)NNc1cccc(Cl)c1	1319270490	UNMRTDKDRRPOHW-UHFFFAOYSA-N	359.640	4.559	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OC	5068496	HYKUBDZXAUSSKH-MDWZMJQESA-N	353.809	4.688	50	20	FJGD	
Cc1c(C(=O)NNc2ncccc2Cl)oc2c1ccc1ccccc12	114883771	JTMKXJADTNQQSV-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1sccc1-c1ccccc1	125353060	LFBXNMIWDIYHLA-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3cc(F)c(F)cc3F)c2c1	176150671	DDDKJOSWNRAVQU-UHFFFAOYSA-N	371.362	4.595	50	20	FJGD	
O=C(NNc1ccccc1Br)c1cc2cc(F)ccc2s1	178909007	HVDMUNPIRPQYJE-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(F)cccc1Br	195166775	BQPYMIHQGZUQKM-UKTHLTGXSA-N	373.225	4.751	50	20	FJGD	
N#C/C(=C/c1ccc(CSC(F)F)o1)C(=O)Nc1ccccc1Cl	211506363	HKVWQLQIUQPKOR-YFHOEESVSA-N	368.792	4.934	50	20	FJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)Nc1ccccc1Cl	255290873	XEOHBKPSMIVZHB-PDGQHHTCSA-N	359.816	4.948	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(F)cccc1Br	588615014	BQPYMIHQGZUQKM-LCYFTJDESA-N	373.225	4.751	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	729149560	JSGDVDKMKDPYGQ-MHWRWJLKSA-N	366.848	4.908	50	20	FJGD	
CSCCCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	736956423	WSJJCQCRXXLTBP-NSHDSACASA-N	372.865	4.781	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)c1ccccc1	743058076	DVLOGPRAQWROOH-OXRZLYTFSA-N	367.832	4.688	50	20	FJGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)NNc2ccccc2)cc1	745857059	PCYZJUAHDQXGIZ-INIZCTEOSA-N	361.445	4.750	50	20	FJGD	
Cc1cc(NC(=O)c2c(C)nn(CCCl)c2C)ccc1-c1ccccc1	762507543	DNKMRPUGCILSGP-UHFFFAOYSA-N	367.880	4.966	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1Cl	772179881	SMHVNXQFWBSCFE-LFYBBSHMSA-N	350.176	4.931	50	20	FJGD	
C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777936856	MEHAXZCQZKRWMA-JOYOIKCWSA-N	365.389	4.811	50	20	FJGD	
Cc1c(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)sc2ccccc12	785365767	LZFZFOKKPYSOAG-WJDWOHSUSA-N	361.422	4.543	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794691010	LVMSYXXEZOBVRT-NTEUORMPSA-N	361.367	4.803	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Br	811626362	GBDAVDSSSRMPDQ-UXBLZVDNSA-N	360.173	4.990	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(OC(F)F)c1	812246516	NHAKKPJXTQCOJZ-IZZDOVSWSA-N	370.277	4.775	50	20	FJGD	
C=C(C)CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	832130461	XZZIODJWSCPRHY-UHFFFAOYSA-N	351.362	4.589	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	855367679	YOWMYNFWLHLQKJ-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@H](CBr)C1CC1	859106850	QNBRUADXXNMOGY-GBESFXJTSA-N	366.343	4.507	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1sc(C)nc1C	887901297	BVSFZBKYSSHAFG-UHFFFAOYSA-N	359.520	4.639	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC(F)F)C(=O)Nc1ccc(F)cc1	915982485	FDQJAOXOBJTZIE-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccccc1Cl)c(C)n2C1CC1	1334937280	SIMXNSMMFXQREK-UHFFFAOYSA-N	369.852	4.704	50	20	FJGD	
O=C(c1cccc(CCl)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	1336301987	ADNHQPKKTKRPDX-TXEJJXNPSA-N	373.724	4.628	50	20	FJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1cc(Cl)ccn1	1341909104	IIUOLSKBVBFLGE-UHFFFAOYSA-N	365.820	4.506	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)c1nc2ccccc2[nH]1	44013483	LVJZETADHGDMAZ-PDGQHHTCSA-N	352.397	4.601	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(C(F)(F)F)cs1	97260873	IUHXNXIHXFSRAP-QMMMGPOBSA-N	356.460	4.815	50	20	FJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	153721309	AVLWIUGNSIWJCE-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
CC(C)N(C)CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192262671	IQXNYZUDXIHXRZ-UHFFFAOYSA-N	361.380	4.806	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccsc1	193346966	SZXIKTRGHATOND-NTEUORMPSA-N	350.355	4.706	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(Cc2ccco2)c1C	207832498	IEXJCXFRVKUXGY-NDENLUEZSA-N	373.456	4.909	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCCC1	727264650	XRGFUMLYBZFCFE-WQLSENKSSA-N	356.775	4.715	50	20	FJGD	
Cc1cccc(NNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1	732574980	JSCPYBZLYDUEKA-GOTSBHOMSA-N	372.468	4.821	50	20	FJGD	
CCN(CC1CC1)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	732642997	DCBRXSXLCUVQGL-MOSHPQCFSA-N	353.510	4.776	50	20	FJGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1cccc(C(F)(F)F)c1	732997041	QBUSDUJYWLFRIB-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C)c1	743763471	LFYFWTZPFYHGLE-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(Oc2cccc(Cl)c2)cc1	743815781	ISWLFHFFOJVMOL-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1Br	746394914	TWAWCQJGAJAKGW-MPMPPSQCSA-N	369.262	4.542	50	20	FJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)c1nc(-c2ccccc2)no1	768467496	PUTOUBIEOQIKJH-DEDYPNTBSA-N	350.381	4.863	50	20	FJGD	
CCC[C@@H]1C[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	779705224	BYGNSUVRCZGXEP-MWLCHTKSSA-N	365.688	4.685	50	20	FJGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2)n1	780804039	ZGMAICZFLBUGHH-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3ccc(C(C)(C)C)cc3)c(C)c2c1	780806191	BANHRFSDAYCYMI-UHFFFAOYSA-N	352.434	4.804	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2sccc2Cl)c(C)n1-c1ccccc1	782115105	YKGKRVKXTHVMQB-UHFFFAOYSA-N	357.866	4.573	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(Cl)cc(Cl)c1)c1cn(C)c2ccccc12	791717087	PKHPGZPYLWJCEM-LLVKDONJSA-N	362.260	4.732	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)C(F)(F)F)c(C)n1C1CCCCC1	807896956	FIRJOAZKRJEGHS-FBKCMUNRSA-N	367.415	4.584	50	20	FJGD	
O=C(/C=C\c1ccc(OCCCCl)cc1)c1cc([N+](=O)[O-])ccc1F	814192024	WSRFRBWTZYBENG-WTKPLQERSA-N	363.772	4.638	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3cccc(Cl)n3)c(Cl)c12	817009280	CGDRMQFUOPCMCE-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)NNc2ccc(C(C)C)cc2)c1	836289662	WZNXIXUFSQMXHC-UHFFFAOYSA-N	354.454	4.616	50	20	FJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCNCC1	841179133	JUSCZMOEQLIGTC-UHFFFAOYSA-N	359.364	4.560	50	20	FJGD	
C[C@H]1C[C@H](CN)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179741	RNCYOVXOFBLFAK-VHSXEESVSA-N	359.364	4.545	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2OC)cc1	915852770	LFLGAZXRNPDKFF-GYZOOYGHSA-N	364.445	4.763	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(Cl)cc1Cl	915975511	CFBXSJZSQPVKNZ-UHFFFAOYSA-N	357.240	4.839	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)C(C)C	915990969	UGEIGDNBMFKBBJ-QGOAFFKASA-N	355.441	4.980	50	20	FJGD	
COc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)c2ccsc2)c1C	1317946815	VEQFOQHDZFYUGE-WOJGMQOQSA-N	362.454	4.954	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]	14824330	VOOGEGYPYODRGB-UHFFFAOYSA-N	374.611	4.620	50	20	FJGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1	104758593	MNWKETKYPNKWQA-GDNBJRDFSA-N	367.330	4.799	50	20	FJGD	
CC(C)(C)[C@@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261135	KHOHWWJSVQLFSR-LLVKDONJSA-N	362.364	4.873	50	20	FJGD	
N#C/C(=C/c1sccc1Cl)C(=O)Nc1ccccc1C(F)(F)F	195225959	BHEJTIYJJJMECY-CLFYSBASSA-N	356.756	4.966	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	255142642	NALUCPHRRNJYFZ-VBKFSLOCSA-N	365.820	4.568	50	20	FJGD	
CCc1ccc([C@H](C)CC(=O)NNc2ccc(Br)cc2)cc1	738507710	UQIYNVVJMGPTBK-CYBMUJFWSA-N	361.283	4.648	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc1C	741472675	COESRGYAZUHPJK-NTEUORMPSA-N	351.387	4.992	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1OCCCC#N	741474901	UBMFARXXADOJOP-MHWRWJLKSA-N	353.447	4.515	50	20	FJGD	
O=C(Cc1cc(F)ccc1F)NNc1c(Cl)cc(Cl)cc1Cl	742466314	JMIKCSOBVPBPTR-UHFFFAOYSA-N	365.594	4.611	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1cccc(-c2c(F)cccc2F)c1	757143094	YKBRBKILUCTVMN-UHFFFAOYSA-N	360.310	4.667	50	20	FJGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1c(Cl)cccc1Cl	760209816	HHBNLKLEMKPVQI-GXDHUFHOSA-N	368.223	4.969	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3c[nH]c4cc(F)ccc34)cc2c1	763285584	SSNPGRFDRIVTHV-JYRVWZFOSA-N	360.344	4.852	50	20	FJGD	
CCCc1c(C(=O)NNc2c(F)cccc2Cl)cnn1C1CCCC1	770190172	BCGNJOYAKCAFKR-UHFFFAOYSA-N	364.852	4.500	50	20	FJGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	771436835	BAHVUIGLVLODRX-SECBINFHSA-N	373.671	4.738	50	20	FJGD	
C[C@H]1C(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)N1C1CC1	771859012	JXGKGNSBWJQDOZ-QMMMGPOBSA-N	356.316	4.664	50	20	FJGD	
CC(C)OCc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	775562253	LPSRCQYSWLEBDY-UHFFFAOYSA-N	367.371	4.779	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1	780952193	RARHAVMCRIBIFR-UHFFFAOYSA-N	366.358	4.636	50	20	FJGD	
CO[C@@H](C)c1nc(COC(=O)CCCC[C@H]2CCSS2)cs1	782341227	IHKQBANMWYFBID-AAEUAGOBSA-N	361.554	4.608	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c(C)oc3ccccc23)cc1	787155581	TWQBFIQXEBNQOB-IQGJIOQQSA-N	360.413	4.534	50	20	FJGD	
CN(N=CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OC(C)(C)C	799876488	QTLMCAMDRRRBAW-UHFFFAOYSA-N	360.404	4.949	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1	812245303	QILCGMQRIMFIHT-KMKOMSMNSA-N	353.687	4.726	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(-c2cccs2)n1	812246145	DWTCOSMMUNXGQD-XFFZJAGNSA-N	360.364	4.627	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)c1cc(C(F)(F)F)ccn1	812246204	GGBYJRJRBAMQNC-ZROIWOOFSA-N	368.318	4.747	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1c(C)ccc(Br)c1C	816569915	ATDHYYWHDGNBJQ-UHFFFAOYSA-N	361.283	4.694	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CSc2ccccc21	833093257	IEPJTIQSTWMWNU-KGLIPLIRSA-N	353.578	4.706	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1CN	841189784	JHCHNGHFQHLMRY-MNOVXSKESA-N	373.391	4.793	50	20	FJGD	
CC(C)(F)CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	849457002	HQSSSRATEMDLFB-UHFFFAOYSA-N	371.368	4.761	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]2NCC[C@@H]21	868145238	NFYUGXUXHKHCEF-STQMWFEESA-N	371.375	4.702	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1	912596463	KVXOLNAQDVVDBI-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCCC#N)c(C)n1C1CCCCC1	914622331	JSDUGAYZAOUBSB-XMHGGMMESA-N	353.466	4.754	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(Oc2cccnc2)cc1	920342351	QNNAHUQQMCCRRN-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1Cl	128807303	CUIKCJGFOCTKRQ-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1ccccc1OC	175630684	MJBSMEFXUDQKGH-UHFFFAOYSA-N	368.502	4.964	50	20	FJGD	
Cc1nscc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	183031754	LLQAVRWFQYPIEK-LBPRGKRZSA-N	366.817	4.923	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)cc1	255320960	YFGWYKIBACWOND-MDWZMJQESA-N	351.349	4.788	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ncc(-c2ccccc2)s1	726872818	XRPYUPLXAWUFQX-UHFFFAOYSA-N	367.459	4.568	50	20	FJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccc(F)cc3)c2c1	730522233	OQURHDUMXCBONY-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CC[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccc(Cl)cc1	734657016	URVLNFOAORKHSZ-AWEZNQCLSA-N	357.763	4.535	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1	743055925	NFQURCSSJSAPER-MYHJQVBBSA-N	361.869	4.810	50	20	FJGD	
Cc1ccc(NCC(=O)NN=Cc2sc3ccccc3c2Cl)c(C)c1	744742750	IWMRLUOYASYPOS-UHFFFAOYSA-N	371.893	4.734	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(Cl)ccc1Cl	748745016	YBLPNIOLYLBURM-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc2c(s1)CCCCCC2	748762866	DPZTZQHZXGZDFR-UHFFFAOYSA-N	351.475	4.712	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	750687640	XITXUOJHOQDEAB-SKDRFNHKSA-N	352.809	4.780	50	20	FJGD	
CC(C)CCn1ncc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1C(C)C	754756084	CZHPOXALSKXKLW-GZTJUZNOSA-N	368.456	4.737	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(\C#N)C(=O)Nc1ccccc1C	759116348	OQZPWUPSIJFYPU-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1c[nH]c2cc(Cl)ccc12	766777915	HUOXWNJDULMKTA-UVTDQMKNSA-N	372.815	4.797	50	20	FJGD	
C[C@H](CBr)COC(=O)c1csc(-c2ccc(Cl)cc2)n1	770331577	VQHXFHVYGAWZPD-SECBINFHSA-N	374.687	4.651	50	20	FJGD	
Cc1cc(C(=O)NNc2c(C)cccc2F)ccc1NC(=O)OC(C)(C)C	771698886	QBKAESVQZJELFS-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
N#C/C(=C\c1occc1Br)C(=O)c1ccc(F)c(Cl)c1	773153510	HDULXAKZTITESB-RMKNXTFCSA-N	354.562	4.624	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1Cl	773154026	JTMJERGQYHQEGB-SDQBBNPISA-N	350.176	4.931	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1SC1CCCC1	776623086	NKFPHDRKQUOTKL-DTQAZKPQSA-N	364.470	4.973	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)C1(c2c(Cl)cccc2Cl)CC1	777463395	RJIFITYGNIPLLK-UHFFFAOYSA-N	372.255	4.717	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	777912868	ZDRMFHROIDKWPD-SFQUDFHCSA-N	350.374	4.614	50	20	FJGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1nc2ccccc2n1C(F)F	785350154	FQUQCOOLTVVSET-JMRXEAOASA-N	367.355	4.643	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1c[nH]cc1-c1ccccc1F	786830868	WTUIZTFSFAYCDM-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c(C)cc1Cl	793710102	JBAVZQFXSKNMAD-UHFFFAOYSA-N	372.774	4.655	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794870562	VQIMJRBTEMFAOP-OQLLNIDSSA-N	372.371	4.536	50	20	FJGD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc(CCl)c1	799890663	UGEJZDWIHOGXIF-DHDCSXOGSA-N	356.878	4.758	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](CC)c2ccc(F)cn2)c1C	808947089	DAMIJRWKZKMMBX-KDMTZKAISA-N	369.440	4.651	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)c1cc(C(F)(F)F)ccn1	812248665	QKEOFPFWEKWUCE-WZUFQYTHSA-N	366.726	4.589	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2)sc2ccc(Br)cc12	815850074	XAFREBDSKOGLDS-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1ccccc1Nc1ccccc1	857513366	CKYPOUAURCYPEQ-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)c1c(Cl)cccc1Cl	915989730	LRWRPWPKNLCPAZ-SDNWHVSQSA-N	368.223	4.969	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccsc2)c1C	918666463	WIVPCYORZCFJDP-DKNZLLBESA-N	369.534	4.621	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)cc1	920157170	NJEYZORYHZCZKT-NWFCWYBLSA-N	357.356	4.575	50	20	FJGD	
NCC[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	926093040	LRIPPQHRGYLVNV-JTQLQIEISA-N	359.364	4.547	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc2ccc(C(F)(F)F)cc2[nH]1	1116636331	LTXKCINQWLTTHQ-UHFFFAOYSA-N	371.721	4.736	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1	8079561	XRYBHZCMULQLKY-VGOFMYFVSA-N	372.856	4.861	50	20	FJGD	
CCc1onc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	89396605	NPNWBZYNPIZUBK-WOJGMQOQSA-N	368.481	4.556	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)Nc3ccccc3F)s2)cc1	114991004	BJSQWJRAZKZXOK-GDNBJRDFSA-N	363.417	4.803	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1CSc1nc2ccccc2[nH]1	120464350	RHRJOQQAUZIGRN-UHFFFAOYSA-N	374.469	4.612	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C#N)cc1	171114717	HDQBUDBJZSZXJZ-MPMPPSQCSA-N	355.397	4.557	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c(C(C)(C)C)n1	180257511	CDZSFIRVRPPGFU-DHZHZOJOSA-N	362.260	4.814	50	20	FJGD	
O=S(=O)(NCc1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	181603202	CLNVNGSTYSOGMW-UHFFFAOYSA-N	373.368	4.823	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1OC	191349615	WGPISILZYABYHF-LICLKQGHSA-N	357.413	4.657	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)cc1	195382834	CEPUMWLNWSMCRO-UYPHOHSBSA-N	359.429	4.648	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccnc1	726430217	QKLMZZNODXBCMZ-RONKMWSCSA-N	370.456	4.516	50	20	FJGD	
CC1(C)CCc2cc(/C=C(\C#N)c3nc(-c4ccccc4)no3)ccc2O1	731563877	XJPMQWGYCKLISG-QGOAFFKASA-N	357.413	4.904	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Oc1cccnc1	732714205	UDMFZGFMVBHYBA-AQTBWJFISA-N	361.445	4.538	50	20	FJGD	
CCCCc1nc(COC(=O)/C(C#N)=C\c2ccc(OCC)cc2)cs1	733417379	VBSPXCPXFJRJIX-WJDWOHSUSA-N	370.474	4.535	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(C2SCCS2)cc1	734249721	FOTXDTNJHJCSDM-UHFFFAOYSA-N	373.528	4.532	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC1(c2nccs2)CCCC1	734824135	IRORNJFQLXVHKE-ZDUSSCGKSA-N	356.582	4.743	50	20	FJGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)c1cccc2ccccc12	741462343	CYCVTWFIAXHVOO-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	741468178	GFCHNNHQXFEKSB-XDJHFCHBSA-N	354.409	4.908	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1OCC(F)(F)F	741474943	ULTNUVUSXGSKCK-AWNIVKPZSA-N	368.380	4.774	50	20	FJGD	
Cc1csc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)n1	744312994	OYLMIXWWFJEDST-GIJQJNRQSA-N	371.506	4.566	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)[nH]c2ccccc12	753179165	ZBJQPJKRWHDFSZ-UHFFFAOYSA-N	372.266	4.558	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Cl	753887160	DEHGZVARIMSPNF-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(Br)n2)cc1	777910798	DHCXVYGPJYDQRL-PTNGSMBKSA-N	355.235	4.586	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1	782305318	HDOGIJSBLAHTHW-XCVCLJGOSA-N	364.257	4.873	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)c1nnc2n1CCCCC2	790101691	RAOWSDSSCFVZBA-QBFSEMIESA-N	366.371	4.607	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1)c1ccccc1	790609670	NRCQXMCFEDWFRM-SFKKXYGYSA-N	353.491	4.615	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc2ncccc2c1	794885175	OQABATKBQJYQFT-OQLLNIDSSA-N	361.763	4.689	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1ccc2ncccc2c1	794886070	YPDXHVXNANCAJS-LFIBNONCSA-N	368.421	4.543	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1OCCCC#N	809146722	TUHWSNNRIHKIRC-DEDYPNTBSA-N	374.440	4.785	50	20	FJGD	
Cc1nc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c(C)o1	839235425	HFXBORVVONDFLX-ZDUSSCGKSA-N	364.776	4.763	50	20	FJGD	
NCCCCCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	843041697	IJUMLPYTGXYSTA-UHFFFAOYSA-N	361.380	4.985	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H]2C[C@@H]2C1	854264970	FMJZVRBOOMYHCP-CWSCBRNRSA-N	364.820	4.780	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1	917621516	VBBPKIQQHBVAOD-LFIBNONCSA-N	361.420	4.943	50	20	FJGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	1332889546	UNRKTJKKSNQGLM-MKMNVTDBSA-N	360.196	4.570	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	7164641	ZZXBAPJYKWXYFP-SDNWHVSQSA-N	371.223	4.551	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)oc12	67189613	NMAPECNKPFKMHF-GZTJUZNOSA-N	360.413	4.912	50	20	FJGD	
N#C/C(=C/c1cc(Br)cc(C(F)(F)F)c1)c1ccccn1	133005789	WTKDWTUBAHOZBH-WZUFQYTHSA-N	353.141	4.927	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2NCc2cccnc2)cc1	181131728	AMFDBRBDUVRQLY-UHFFFAOYSA-N	374.488	4.748	50	20	FJGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c(Cl)nc2c1	211422185	IASVVZSPZZRJEQ-GDNBJRDFSA-N	365.795	4.881	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cnn(Cc3ccc(F)cc3)c2)n1	588534600	OUWYHHDLYVONCW-APSNUPSMSA-N	352.438	4.715	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc(C)c1OC(F)F	741471988	DFOMBTUHICKWOZ-RIYZIHGNSA-N	354.360	4.549	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc1	746883632	RUGLJQLXXMKZDK-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
Cc1cccc(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	751367517	NZOXJHHCHQMUPP-MWABVPJASA-N	352.400	4.587	50	20	FJGD	
CN1CCc2cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)ccc21	751523606	OHQNCZJZLWAMNW-ZROIWOOFSA-N	372.255	4.531	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1csc2c1CCCC2	754146957	GQGNFRFJKLDCJN-UHFFFAOYSA-N	358.360	4.542	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1	760148099	ZTGNPOKMAHMUEW-UHFFFAOYSA-N	374.419	4.538	50	20	FJGD	
C[C@@H]1CCc2c(sc3nc([C@@H]4CC[C@H](Br)C4)nc(O)c23)C1	765980791	FGEIJPARRRVPEA-BBBLOLIVSA-N	367.312	4.553	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)[C@@H](Sc1ccccc1)c1ccccc1	778451521	KRVHWTGAZQJECO-SFHVURJKSA-N	369.877	4.712	50	20	FJGD	
CC[C@@H]1CCc2c(sc3nc(CSCCCCl)nc(O)c23)C1	782890172	DLXGRDDLYISWIF-SNVBAGLBSA-N	356.944	4.774	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)c1cc2ccccc2s1	788361619	AVUQZKNGGHEGRE-SFQUDFHCSA-N	355.422	4.877	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)ccc1OC	794884602	JKTAPQNPMMZLNM-YBFXNURJSA-N	372.424	4.570	50	20	FJGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2cc3ccccc3cc2O)C1	799104181	MYRZUPVCPDAVSW-GOSISDBHSA-N	373.456	4.692	50	20	FJGD	
CCCCCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)ccc1OC	812242809	VSGSGVSZFAOTLD-LFIBNONCSA-N	367.405	4.632	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cn1	812245682	VVJHORQYISFFCJ-GHXNOFRVSA-N	368.805	4.831	50	20	FJGD	
ClCCCOc1ccc(CNC2CCC3(CCOCC3)CC2)cc1	1323935367	HSKPJOGQCQKAOP-UHFFFAOYSA-N	351.918	4.523	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)cc1	17700011	BLBDWTDOADJLQF-UKTHLTGXSA-N	367.380	4.634	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)cc1	17700128	RBPIGNHYMZZKPY-XNTDXEJSSA-N	363.417	4.803	50	20	FJGD	
Cc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1Br	152682679	FFUSYFJYMHNPCF-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
NC(=O)c1cccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)c1	158795920	XGMQMQUIPIJAFO-HNNXBMFYSA-N	374.815	4.617	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1cccc(C(F)(F)F)c1	206401150	YFRDTGKDOXSEGB-OQLLNIDSSA-N	370.330	4.570	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCc2nccn2C1	373738891	RZTZZULWNDFJRT-JTQLQIEISA-N	367.343	4.742	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(OC(F)F)c1	588424933	RPDGRFDRAVKJSG-UXBLZVDNSA-N	369.776	4.801	50	20	FJGD	
CCC1(C)CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	725803245	BBTNVXZBTSYQNQ-UHFFFAOYSA-N	355.462	4.513	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(C)c(C)s3)o2)cc1	741473332	GWENECNDLZOHDQ-YBEGLDIGSA-N	364.426	4.871	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(N(C)c3ccccc3)nc2)c(C)c1	743764954	CDAQSVNTYDISAU-UHFFFAOYSA-N	360.461	4.532	50	20	FJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2)s1	748005026	GDKBPUFNXQWXGX-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1OC	772178429	FSMXRWVDDKTGDA-AYCSXLNKSA-N	353.393	4.801	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1F	773148162	ITWFDMRPNRGGNK-SDQBBNPISA-N	367.273	4.782	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)n([C@H](C)CC)n2)c1C	775875314	LMWLFGADNBOUAB-ONDHQXCVSA-N	367.497	4.537	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	776595744	IKWHGJPWRCSOHG-YRNVUSSQSA-N	366.726	4.610	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1	778447990	XUWNKEQJSWJMLS-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1CCO[C@@H](CC)C1	781600761	LMQWMBLQOHHWOZ-PBHICJAKSA-N	360.523	4.918	50	20	FJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(C(C)C)cc2)cc(C#N)n1C	783454255	BAAPJLDUSWYOFZ-UWSDUSPXSA-N	361.445	4.540	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(C2CCCCC2)n1	783687344	BJKAKYSFFPZKJA-YBEGLDIGSA-N	353.853	4.911	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1OC(C)C	783688459	WMQUBHGBJFEDTG-UKTHLTGXSA-N	361.850	4.987	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1	783714465	JHKCFTPGSSLIIS-MDWZMJQESA-N	353.834	4.890	50	20	FJGD	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	786892204	XRSOZCQZBZQFOH-KWWJGWKXSA-N	374.362	4.538	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1)c1ccccc1	787145344	PWRCUXHAWYWPPF-VKIDYWOHSA-N	367.452	4.923	50	20	FJGD	
N#C/C(=C/c1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc2ccccc2s1	788326468	DOTTYJMCYLYYOO-BOPFTXTBSA-N	372.449	4.583	50	20	FJGD	
O=C(Nc1cccc(NCc2ccc(OCCCCl)cc2)c1)C1CC1	788844370	XJSYGPIVVFHELG-UHFFFAOYSA-N	358.869	4.655	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)ccc1C#N	799494492	GQISNWBEEJVVDZ-MLPAPPSSSA-N	351.818	4.894	50	20	FJGD	
CC(C)n1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1	806571353	HTGXYOAEZJXNLI-YHYXMXQVSA-N	363.368	4.552	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1ccc(F)c2ccccc12	807902518	JKDNJSPVKXJMJE-LBPRGKRZSA-N	373.859	4.522	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cn1	812245287	PYTBWTJGWMTAHA-LCYFTJDESA-N	351.749	4.967	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)c1cc(C(F)(F)F)ccn1	812248370	LATGDOSVQSOLOE-XGICHPGQSA-N	350.727	4.753	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CCCCO2)c(C)n1C1CCCCC1	857828688	LXVDAXOHDSGULO-FNGUVFISSA-N	370.493	4.629	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc2cc(Br)ccc2s1	861734975	LPVMQAXUYRIKJT-UHFFFAOYSA-N	367.095	4.540	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC(C)C)cc1Cl	915848763	VLTYUKHNNYJDHA-GDNBJRDFSA-N	370.836	4.681	50	20	FJGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1	915984578	AFUCGLCQAICUHO-XNTDXEJSSA-N	369.490	4.773	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1ccc(C(C)(C)C)cc1	916323394	FHAJYQWDZSRSFA-UHFFFAOYSA-N	374.488	4.551	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	920064578	GSPKLTSPQFNQHU-WMZJFQQLSA-N	363.248	4.560	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)cc2F)cc1	920157169	NJEYZORYHZCZKT-LERPTODRSA-N	357.356	4.575	50	20	FJGD	
CCN1CCN(C(=O)CCCC[C@H]2CCSS2)c2ccccc21	1318435035	VIYXNSOSCRNTAQ-HNNXBMFYSA-N	350.553	4.574	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F	1319467896	JTEJORUSROQGNG-LZYBPNLTSA-N	361.401	4.894	50	20	FJGD	
Cc1nc2ccccc2n1Cc1nnc(CCCC[C@H]2CCSS2)o1	1329060093	ABNNXVCIKZZJDA-AWEZNQCLSA-N	374.535	4.643	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(F)c(C(=O)O)c2)CC1	1776779107	RXYVLPQQSJJRSF-GZTJUZNOSA-N	357.425	4.997	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)Nc1ccc(C(=O)O)cc1	13066625	GAPFBUWJWYNNFV-FOWTUZBSSA-N	374.421	4.659	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3cc(Br)ccc3o2)c1	120970808	QLXLWLZBZDEUSZ-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1	125051569	NTYNGOGLOSSXJS-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1	125463512	RFSZUTVLHAKDLI-UHFFFAOYSA-N	374.444	4.704	50	20	FJGD	
Cc1cnc([C@H](NC(=O)CCCC[C@H]2CCSS2)C2CC2)s1	174033297	NHYMGLIFGJULHT-DZGCQCFKSA-N	356.582	4.733	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2OC)c1C	195029389	APMGLWKFNBRMPX-CPNJWEJPSA-N	365.477	4.768	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)c3cccc(F)c3)c(Cl)nc21	588597549	UMCMEIDLXHWYMB-NSIKDUERSA-N	368.799	4.595	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	728438907	BOXISZFGELJIEY-FMIVXFBMSA-N	362.260	4.814	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	734250368	WOAVMIJKSLSMHG-QZTJIDSGSA-N	359.454	4.696	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(C)ccc1F	734981397	RHKVTXGLXHOOIA-ZSOIEALJSA-N	358.800	4.650	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747690492	LLJGLDCDZICMON-CYVLTUHYSA-N	369.424	4.693	50	20	FJGD	
Cc1ccc(OCCCNC(=O)CCCC[C@H]2CCSS2)cc1	750768207	IFVRCSSQPZJEMW-KRWDZBQOSA-N	353.553	4.594	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc3sccc3c2)cc1	752948763	BAFHSRICXNNUMV-WQRHYEAKSA-N	362.454	4.523	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Cl)c(Br)c1	753818763	ZNEAFUVZVGBGSF-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(/C=C/c1ccc(Cl)s1)NNc1cc(C(F)(F)F)ccc1F	754142219	BPZLBMRFOAGRGF-ZZXKWVIFSA-N	364.751	4.716	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1)c1ccccc1	761392824	PTNPCDZRVLBPGT-NASPGAHYSA-N	350.365	4.551	50	20	FJGD	
C[C@@H](C(=O)NNc1c(F)cccc1Cl)c1ccccc1C(F)(F)F	770197755	UPRZHBLHLSMQLS-SECBINFHSA-N	360.738	4.745	50	20	FJGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773601155	FCLOZTJNSYKUFF-KOLCDFICSA-N	372.359	4.587	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1nc2ccsc2s1	775631426	IEBBDXDCOXUYGT-UHFFFAOYSA-N	358.370	4.525	50	20	FJGD	
CCc1ccc([C@@H]2CCCCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)o1	776661611	RBSVDPMHTVJAJT-PZSQYBTKSA-N	364.445	4.598	50	20	FJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(C)c1	777522863	ZHXOLZGHEDTNSU-UHFFFAOYSA-N	359.451	4.552	50	20	FJGD	
C[C@H]1[C@H](C)CCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782985708	TZZGSAOZQIFOJE-ZJUUUORDSA-N	365.389	4.763	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(C2=CCCC2)cc1	810042409	TZQQBJHCQJHONF-UHFFFAOYSA-N	357.251	4.773	50	20	FJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(Cl)cc3)cc2)n1	810683350	DEFBOKUARTYJNC-UHFFFAOYSA-N	358.854	4.605	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(OC(F)F)c1	812246517	NHAKKPJXTQCOJZ-WDZFZDKYSA-N	370.277	4.775	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	814187704	QYAGDFRBZNDZKI-UZDKELKTSA-N	360.457	4.564	50	20	FJGD	
CC(C)c1nc2ccc(NC(=O)NNc3cccc(Cl)n3)cc2s1	814623936	FWIUTAWKOUYDGS-UHFFFAOYSA-N	361.858	4.617	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1C	824107324	GJAFPOYNKHOQLJ-NEIHUHTASA-N	374.488	4.513	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H]2NCC[C@@H]2C1	841179504	OOQYYZJQCMCJHV-ZWNOBZJWSA-N	371.375	4.560	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c(-c2cc3ccccc3o2)n1	920065632	BKQKBAOKCAXIRS-MHWRWJLKSA-N	371.371	4.762	50	20	FJGD	
CCc1ccc(-c2nc(C(=O)NNc3cccc4cnccc34)cs2)cc1	1116740872	KLIBXPVXGPXBLB-UHFFFAOYSA-N	374.469	4.678	50	20	FJGD	
CCCOc1ccc(C=NNC(=O)c2ccccc2Cl)c(OCCC)c1	1317711423	AKELXOWOHVMKAO-UHFFFAOYSA-N	374.868	4.682	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)cc2)cc1	2632694	WIOTXNBZABIBOD-HMMYKYKNSA-N	354.409	4.908	50	20	FJGD	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	24024850	WQVYJXOXKXSWQB-YBFXNURJSA-N	363.461	4.509	50	20	FJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccc(F)cc1	51201533	ISCXYXFEWJEXOU-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccc(F)nc1	114230438	RUARJDCWZONZDG-ZDUSSCGKSA-N	364.751	4.692	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccccc2SCc2c(C)noc2C)cc1	120405850	ATPOTHAJTKSUTM-UHFFFAOYSA-N	367.474	4.649	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cs2)c1	192541569	OAAJOEHIPINTHR-OQLLNIDSSA-N	363.398	4.791	50	20	FJGD	
CCN(CC)c1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	195553417	UNPGIEDNDIULCT-GOSISDBHSA-N	366.596	4.863	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2nc(-c3ccccc3)cs2)cc1	726876038	CSTYXJVSGAYSAR-SFQUDFHCSA-N	359.454	4.918	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc(F)cc2)cc1F	735270698	XJFMBNJLYITXDC-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
Cc1c(C(=O)NNc2c(F)cccc2F)oc2c1ccc1ccccc12	735697917	RQTFIHWQOURTNQ-UHFFFAOYSA-N	352.340	4.930	50	20	FJGD	
COc1ccccc1C[C@H](C)N(C)C(=O)CCCC[C@@H]1CCSS1	742776312	ATRPTCIKOOGSGM-DOTOQJQBSA-N	367.580	4.799	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1O	747034521	VLFCRBGWMUQFSI-WQRHYEAKSA-N	373.412	4.552	50	20	FJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(c2cc3ccccc3[nH]2)CC1	750041440	PFJIVLCOOJZXTA-LSFURLLWSA-N	372.428	4.820	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)CCN4C)n2)cc1	751522123	BILBXWLHPIDUPF-LDADJPATSA-N	373.481	4.875	50	20	FJGD	
O=C(NNc1ccc(F)cc1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	780307212	FRHPELNBXUMZEA-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ncccc1C(F)(F)F	784973565	DDXGNIGLWSFHFP-LLVKDONJSA-N	365.442	4.858	50	20	FJGD	
CCOc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1OC	792209280	AEJJWHABYOVGIR-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc4c(c3)CCCC4)nc(O)c2c1C	792866134	KZEVTYLKVFULQC-LICLKQGHSA-N	361.470	4.957	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\C1=Cc2cc(Br)ccc2OC1	794955410	YGVMXUONIBCHPU-ZSOIEALJSA-N	360.251	4.680	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)Nc1ccc(Cl)cc1Cl	811686520	XNKGROHRBKEFIF-IZZDOVSWSA-N	360.175	4.550	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1sc2ccccc2c1Br	848083127	LGJBRQJJZNPKAS-UHFFFAOYSA-N	367.095	4.540	50	20	FJGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNc2ccc(OC(F)F)cc2)cc1	857474034	OYBGNOUBKQABGQ-AWEZNQCLSA-N	362.420	4.733	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c1	1317827212	GAYJWPDBFKAJNP-UHFFFAOYSA-N	371.893	4.761	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(CC(F)(F)F)o2)c(C)n1CCC(C)C	1341597223	CZDOMUBYOWPOFY-OVCLIPMQSA-N	366.387	4.703	50	20	FJGD	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CC)cc2)CCC1	1790484301	KDYFHQOJQFGVLV-YOEHRIQHSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)OC1CCCCC1	5771866	FIQZIHPTTVKYDD-WYMLVPIESA-N	366.373	4.638	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	45480897	YAXQSTGTOXRELK-UHFFFAOYSA-N	354.397	4.963	50	20	FJGD	
C[C@@H]1CCc2c(C(=O)NNc3ccccc3C(F)(F)F)csc2C1	68773429	NWSLZRULMFGYQS-SNVBAGLBSA-N	354.397	4.649	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc(C(=O)O)c3)n2)cc1	126388548	DFFMTCMWIKPINJ-MHWRWJLKSA-N	362.410	4.581	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	171045098	CTBGRAFVATYUOC-BJMVGYQFSA-N	370.252	4.668	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1F	179607496	MRPZUDXXMBGLIY-BJMVGYQFSA-N	365.147	4.831	50	20	FJGD	
CC(C)CCN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183482524	NHCJSYQIQFJNOP-UHFFFAOYSA-N	374.375	4.787	50	20	FJGD	
C/C=C/C[C@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261206	WLJHZNSSXANDQZ-KXMPLOMGSA-N	360.348	4.793	50	20	FJGD	
Cc1ccccc1S[C@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	213848120	FQAUODSURJFRAQ-DVDIPCOMSA-N	352.484	4.998	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)c1ccc(Cl)cc1F	255907054	GPSXQQHXIFNULY-YFHOEESVSA-N	360.175	4.570	50	20	FJGD	
COc1ccc2oc([C@@H](C)NC(=O)NNc3ccccc3Cl)c(C)c2c1	730133982	ZKSJECBRCURKPM-GFCCVEGCSA-N	373.840	4.791	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1	733362980	DBSKJNTWRHNFEU-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
Cc1ccncc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	741897682	UQWLMUHUOGGZNW-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccccc2Br)cc1	748068763	SJIBHALLMDTPMQ-UHFFFAOYSA-N	365.296	4.707	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1csc(C)n1	748674231	QSXZKIQCAFQZMO-UHFFFAOYSA-N	359.520	4.721	50	20	FJGD	
C=C[C@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	760123047	FFBJFWUHKHULKV-CQSZACIVSA-N	351.837	4.691	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc2c(F)cccc2[nH]1	768008366	BWMMDWCLQALWAR-UHFFFAOYSA-N	356.159	4.510	50	20	FJGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(N(C)C)cc1	773018347	VUWQQIWVAOOBAY-PBHICJAKSA-N	352.569	4.644	50	20	FJGD	
C=CCC[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779200591	JUILGCXEKDWUHV-OAHLLOKOSA-N	364.367	4.778	50	20	FJGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)[C@@H]1C[C@H]1c1ccc(Cl)s1	788416667	WSDDCXQMZZLONX-NWDGAFQWSA-N	364.923	4.861	50	20	FJGD	
O=C(NNC(=O)c1csc(Cl)c1)Nc1ccc(-c2ccccc2)cc1	802039600	OIMUMVVZKUXCJF-UHFFFAOYSA-N	371.849	4.535	50	20	FJGD	
Cc1csc([C@H](NC(=O)NNc2cccc(Cl)c2Cl)C2CC2)n1	838493321	XRVAZCAYEAKYAG-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C)n(C(C)C)n1	839236715	WPNRAHSLZRGBSG-UHFFFAOYSA-N	356.495	4.723	50	20	FJGD	
C[C@H](N)[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179734	RLAPYUUDSXKMBW-VHSXEESVSA-N	359.364	4.545	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2ccc(OCC#N)cc2)CC1	844346340	MHHCDVZDBLNIKE-UHFFFAOYSA-N	374.601	4.823	50	20	FJGD	
CC(C)c1nnc(CN2CCCC[C@@H]2CO[Si](C)(C)C(C)(C)C)o1	844349650	MXIACTIINJFXCO-OAHLLOKOSA-N	353.583	4.569	50	20	FJGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccccc2Oc2ccccc2)CCO1	846462227	SYZJTYFRZLQGIB-SJORKVTESA-N	354.450	4.517	50	20	FJGD	
Cc1nocc1COC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	849654601	ZNGMFLHMWKNFDV-ZDLGFXPLSA-N	367.449	4.557	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(OC)c3ccccc23)n1	920387977	QZHBXXAKPGKMSK-UVTDQMKNSA-N	364.426	4.546	50	20	FJGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)C(=O)Nc1cccc2ccccc12	1318394945	NKPLUGAJGRTVEP-QGOAFFKASA-N	364.408	4.776	50	20	FJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(C)c(Cl)c1	1326661232	RJJVFNBGSOTMMC-UHFFFAOYSA-N	370.836	4.591	50	20	FJGD	
CC(C)[C@H](CC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776302564	BHIKCVQOGQSGQS-KRWDZBQOSA-N	351.563	4.660	50	20	FJGD	
C[C@@H]1CCC[C@@]1(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776637554	XOBBMBLYCDKRJA-QRWLVFNGSA-N	363.574	4.804	50	20	FJGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1	63276417	REQLZLGISGBIJV-KMKOMSMNSA-N	364.257	4.873	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)cc(OC)c2)cc1	211685098	CDDBVBBUOMITSE-PACYTGELSA-N	364.445	4.763	50	20	FJGD	
CN(CCCCCO)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	278698277	HFZSRTJNIAWBMO-UHFFFAOYSA-N	362.364	4.970	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl	727263729	GTBIKVMPZHGKRT-PWDRBQJJSA-N	366.848	4.689	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2)c1Cl	741470895	WZKGBYMKLVCCII-SWEABUAFSA-N	355.869	4.806	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1OC(F)F	741473007	DTSCBURWXRJPEV-NTUHNPAUSA-N	350.390	4.824	50	20	FJGD	
CCc1ccc(-c2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)o2)cc1	746703854	JAPRVIDTKPNJNK-UHFFFAOYSA-N	360.335	4.683	50	20	FJGD	
O=C(CCCOc1cccc2ccccc12)NNc1cccc2cnccc12	748769194	GAVCZFMHFVHQSR-UHFFFAOYSA-N	371.440	4.690	50	20	FJGD	
Cc1cc(F)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1F	757528111	AICNFEPTIWFEDN-UHFFFAOYSA-N	365.594	4.990	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1	762002997	MGXMSHWRGWQZLW-SFHVURJKSA-N	372.468	4.781	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(Br)ccc3Cl)nc12	767728442	HCWFOXIHMQSXAM-IZZDOVSWSA-N	373.641	4.746	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(SC(F)F)c1	769997282	JJXPKCSNWJHIBW-UHFFFAOYSA-N	363.311	4.567	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	771689300	VUJQFPJIJJRAKP-NLKGSNSHSA-N	370.390	4.726	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)ncn1	773148826	HUCCAAHZVVFIOK-VCHYOVAHSA-N	359.454	4.842	50	20	FJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3cnnc4ccccc34)o2)c1	776475250	FEQIEEMXEXCGAQ-UHFFFAOYSA-N	372.428	4.770	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(C)c1)c1ccccc1	787180874	YIMLFXMXPOWCMM-CNSVBDKNSA-N	370.456	4.560	50	20	FJGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3cc(Cl)cc(Cl)c3)c2)cs1	791716681	YOZQNVCSKHNIAI-UHFFFAOYSA-N	367.261	4.510	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	794942836	QOGLKCJMFGRAJQ-KPKJPENVSA-N	372.808	4.940	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c2ccccn12	794964995	MYRQBALDSWPGMC-AQTBWJFISA-N	366.424	4.796	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cscc1Br	803189388	HSXRFPWMIWHKPI-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
CCC(=O)Nc1ccc(C)c(NCc2ccc(OCCCCl)cc2)c1	811468167	FWYTYCNHJPRSMR-UHFFFAOYSA-N	360.885	4.963	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NN=C2CCC(OC3CCCC3)CC2)cc1	834926724	BTYRMFWYMXYRKA-UHFFFAOYSA-N	356.510	4.972	50	20	FJGD	
N#C/C(=C/c1cnn(C2CCC2)c1)c1ncc(C(F)(F)F)cc1Cl	899346564	QACVPVXRHYBUPH-WCIBSUBMSA-N	352.747	4.739	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccccc2OCc2ccccc2Cl)cc1	912596606	NZTBQIQSOAIFJK-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc3cccc(OC)c3o2)c1C	915857183	MSEMSHRICMDWOZ-ATVHPVEESA-N	360.413	4.836	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1nc2ccccc2s1	1343635271	NYTZOVKFZWFJBB-UHFFFAOYSA-N	353.491	4.804	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1	66407921	IZWHDVZDGGMKIN-MFOYZWKCSA-N	373.437	4.763	50	20	FJGD	
CC(=O)Nc1cccc([C@H](C)OC(=O)CCCC[C@@H]2CCSS2)c1	67741216	RHHXGDOYNQTHLU-SUMWQHHRSA-N	367.536	4.963	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1	141616119	VMWYUAGBBFLSCS-REZTVBANSA-N	373.437	4.763	50	20	FJGD	
CC[C@@H](CC#N)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	157022330	ALMCCCATGUIFSX-JOYOIKCWSA-N	365.808	4.720	50	20	FJGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)CCO1	183430696	XUGHAKJAOKIHOU-BBWFWOEESA-N	359.601	4.801	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1OCc1ccccc1Cl	301241457	PWMUGFRSWPXRNI-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
C/C(=C\C(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1Cl	728717029	PLKJAUYDBBMRGZ-PKNBQFBNSA-N	354.759	4.905	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC	747033673	JWSGQTDTYLCHPH-LICLKQGHSA-N	372.424	4.921	50	20	FJGD	
CCn1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1-c1ccccc1	757594797	RLAUYIIPVCDBCD-UHFFFAOYSA-N	362.477	4.624	50	20	FJGD	
O=C(NNc1ccccc1)Nc1cccc(OCc2ccc(F)cc2)c1	762235509	PRLHGBKURGFGAU-UHFFFAOYSA-N	351.381	4.553	50	20	FJGD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762655035	KRTOHDZNQDMHTC-SKDRFNHKSA-N	372.359	4.587	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1CCC(C(F)(F)F)CC1	766857074	WTLFXRDNDXBOPQ-UHFFFAOYSA-N	373.177	4.944	50	20	FJGD	
COc1c(Br)cccc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	773916266	XCGDOXJOGDWACR-LCYFTJDESA-N	368.234	4.707	50	20	FJGD	
CC(C)(C)c1nsc(Oc2ccc(NC=C(C#N)C#N)cc2Cl)n1	780147182	KUYFBRGIXWISNT-UHFFFAOYSA-N	359.842	4.624	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246241	GZLNPLFGRMRSEW-UVTDQMKNSA-N	354.335	4.659	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	812248553	OWMFKOHDLXNJMI-JYRVWZFOSA-N	370.334	4.563	50	20	FJGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)c1ccc(Br)s1	814759540	GQMMMQXFGQESNW-GFCCVEGCSA-N	363.280	4.564	50	20	FJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccccc2Cl)cc1	912643213	JABILWKZSPIGID-UHFFFAOYSA-N	371.893	4.766	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(Cl)c(O)c(OC)c2)c1C	915860018	CYBPDFYQVMSPJD-NVNXTCNLSA-N	372.852	4.672	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)CNc1ccc(C)cc1	917207786	JBKLHAJEGWENMY-UHFFFAOYSA-N	363.461	4.646	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3)sc2C)cc1	66282011	VULNKOIPRUTGGL-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	122831257	XOFZWJHZJGTNEC-UHFFFAOYSA-N	352.406	4.545	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)Nc1ccccc1Cl	132464734	PBHFXOYKEFVCCS-LCYFTJDESA-N	362.763	4.530	50	20	FJGD	
N#C/C(=C\c1cc(Br)cc(C(F)(F)F)c1)c1ccccn1	179367578	WTKDWTUBAHOZBH-VZUCSPMQSA-N	353.141	4.927	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)C(=O)c1ccc(F)cc1	209908707	NZIQBMQONKSOJI-AQTBWJFISA-N	358.372	4.590	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@@H]1C[C@H]1c1ccc2ccccc2c1	734250370	WOAVMIJKSLSMHG-ZWKOTPCHSA-N	359.454	4.696	50	20	FJGD	
Cc1c(NNC(=O)c2ccc(-c3ccccc3Cl)o2)cccc1[N+](=O)[O-]	748670026	BOOQTZQAXPQZGO-UHFFFAOYSA-N	371.780	4.574	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC	749452597	PNCZQCIGHKJHHG-YAJBTMAUSA-N	364.445	4.727	50	20	FJGD	
CC(C)c1cccc(O[C@H](C(=O)N2CC=C(C#N)CC2)c2ccccc2)c1	760004371	ZEWHEWPRIHNPRS-QFIPXVFZSA-N	360.457	4.612	50	20	FJGD	
N#C/C=C\CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3	763300999	NDIDCYYVVQBQSR-WAYWQWQTSA-N	371.531	4.624	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cccc(-c2ncco2)c1	770077202	BOEAEKNSHBSSQY-UHFFFAOYSA-N	363.204	4.797	50	20	FJGD	
Cc1nc(-c2ccc([C@H](C)NC[C@@H](C)CBr)cc2)cs1	770664985	AVCVBLXZVPAHML-RYUDHWBXSA-N	353.329	4.800	50	20	FJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1C	775660972	BNJULQXCPQOXCZ-UHFFFAOYSA-N	366.465	4.721	50	20	FJGD	
CCC(CC)n1nc(C(=O)NNc2cc(Cl)ccc2Cl)cc1C	776481820	KKKQARMCFKDQHK-UHFFFAOYSA-N	355.269	4.616	50	20	FJGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1cccc2ncccc12	776768027	BYSITIVLTLUNDQ-UHFFFAOYSA-N	359.404	4.727	50	20	FJGD	
C[C@@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CCC1	782987462	LJIOHGZENZLTJI-SECBINFHSA-N	365.389	4.811	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1	785830068	CQFFJRALZZIZAG-PWDRBQJJSA-N	360.413	4.616	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)c1nnc2n1CCCCC2	790101690	RAOWSDSSCFVZBA-ACCUITESSA-N	366.371	4.607	50	20	FJGD	
CSSCCNC(=O)c1sc(-c2cccc(Cl)c2)nc1C	791096373	BCHPBWNMRKSFBV-UHFFFAOYSA-N	358.941	4.513	50	20	FJGD	
O=C(NNc1cccc(F)n1)c1cc(Cl)ccc1Sc1ccccc1	804772582	NNXCXRFZWVFCEK-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
COC[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(Cl)c1	809235233	VVKCDRMDBLYYQR-CVEARBPZSA-N	373.971	4.858	50	20	FJGD	
COc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)ccc1SC	812248204	GQJZTSNKTYYJML-GHXNOFRVSA-N	350.365	4.895	50	20	FJGD	
CSc1cc(C(=O)NNc2cccc(Cl)n2)c(Cl)cc1Cl	817004405	AHYHEUFEKDIVKC-UHFFFAOYSA-N	362.669	4.521	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1[C@H]2CC[C@H]1COC2	839013198	FBBMQFPKGNIYMC-QWRGUYRKSA-N	358.332	4.739	50	20	FJGD	
O=C(NN=C[C@@H]1CC=CCC1)c1cccc(NN=C[C@H]2CC=CCC2)c1	915904447	XOHBIMOQPQKOLM-ZWKOTPCHSA-N	350.466	4.513	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)c1nc(N)c2ccccc2n1	1322625345	HOSXHUPCKNCDSQ-YRNVUSSQSA-N	372.762	4.531	50	20	FJGD	
Cc1c(C#N)cccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	1325205571	WUIOLMMESLZRJS-UHFFFAOYSA-N	354.624	4.584	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC	59335564	IGKLXZOMMGLJAL-DHDCSXOGSA-N	370.836	4.601	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	60132495	VPXOWIIVXVWPEH-WDZFZDKYSA-N	366.726	4.610	50	20	FJGD	
CN(Cc1cnn(C)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259800	XLBWCCYJUFPZBJ-UHFFFAOYSA-N	370.347	4.741	50	20	FJGD	
COc1ccccc1-c1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	194595158	IBYQUBADRJJDOY-AQTBWJFISA-N	370.408	4.613	50	20	FJGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)Nc1cccc2ccccc12	207190480	GGVJYQCVJJJPGC-NBVRZTHBSA-N	370.408	4.547	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccco1	212649389	NHKMSHGWONFZCN-QINSGFPZSA-N	371.421	4.984	50	20	FJGD	
CCC(Cc1cccs1)=NNC(=O)c1ccc(COc2ccccc2)o1	730947417	QHUTYZCWTRWFEG-UHFFFAOYSA-N	368.458	4.659	50	20	FJGD	
Cc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1Oc1cccnc1	732710101	DWZIPYRIKNNWTB-UHFFFAOYSA-N	365.820	4.600	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1	743763204	AVSWNOLRABFJTR-UHFFFAOYSA-N	373.456	4.621	50	20	FJGD	
Cc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1Cl	745979167	ZTDXQKHRWXRYNK-UHFFFAOYSA-N	358.290	4.621	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc3cc(C)c(C)cc3o2)cc1	749810621	NRWMFLTYVKSPCQ-YBFXNURJSA-N	351.427	4.696	50	20	FJGD	
C[C@@H](CCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	750428122	ITTRHXZFBHTDNN-ZDUSSCGKSA-N	361.367	4.604	50	20	FJGD	
COC(=O)c1oc([C@H](C)OC(=O)CCCC[C@@H]2CCSS2)cc1C	767268524	PCEUWRMUYBDWJI-QWHCGFSZSA-N	372.508	4.693	50	20	FJGD	
CC(C)(C)C(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1	770055446	HYAOHJIMLVNETP-UHFFFAOYSA-N	368.462	4.674	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc2ccccc2c(Cl)n1	772766142	QUSMKXVNKQHNIP-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)C1CCCC1	781553893	DZLIRXKRZXJBBE-UVTDQMKNSA-N	357.816	4.640	50	20	FJGD	
Cc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)oc2c(F)cccc12	812019850	SGLVLUGPPGNATM-UHFFFAOYSA-N	369.783	4.839	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)Nc1c(C)cccc1C	814187373	HYHRFYDQPIRXNQ-JVAASGMSSA-N	360.457	4.942	50	20	FJGD	
O=C(NN=Cc1sc(Sc2ccccc2)nc1Cl)c1ccccc1	814685077	HUPFOEAIGNEZPG-UHFFFAOYSA-N	373.890	4.712	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(C2CC2)cs1	843265447	NCKFFGGJULINIS-BXBHGGAKSA-N	352.459	4.642	50	20	FJGD	
N#C/C(=C/c1csc(COc2ccccc2)n1)C(=O)OC1CCCCC1	918736312	XITRAXOVJCFKKK-PTNGSMBKSA-N	368.458	4.505	50	20	FJGD	
CC(C)(C)c1ncc(C=NNC(=O)c2cc3c(s2)CCCCC3)s1	920368048	FUMFZHTULVZVAI-UHFFFAOYSA-N	361.536	4.535	50	20	FJGD	
CCO/C=C(\C#N)c1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1	1118133410	DWCREUTVIQYSRM-JQIJEIRASA-N	368.396	4.853	50	20	FJGD	
CC(C)n1ncc2c(C(=O)O)cc(/C=C/c3cccc(CCl)c3)nc21	1776396225	VWNPSQVHCIMKQZ-VOTSOKGWSA-N	355.825	4.620	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)cc(OC)c2)cc1	7167615	CDDBVBBUOMITSE-ZNBBLSJYSA-N	364.445	4.763	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)c1ccccc1F	11295211	ZEWHXIOFOMICNE-RVDMUPIBSA-N	361.328	4.574	50	20	FJGD	
O=C(CCc1ccc2ccccc2c1)NNc1cccc(C(F)(F)F)c1	110962199	XZZYLUWYBCPDCT-UHFFFAOYSA-N	358.363	4.935	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc(Cl)c1OC	119815268	XOEXTLLUNVBFRO-AUWJEWJLSA-N	367.788	4.893	50	20	FJGD	
Cc1ccc(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1	121100314	FHTLOVANZOYBKT-UHFFFAOYSA-N	368.868	4.714	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(C)n1C(C)C	128697056	ZGSWQUDAHJXWKY-UHFFFAOYSA-N	357.351	4.601	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc(F)cc1	151957803	AHBKEXZUBOWQSM-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1cccnc1SCC1CCCCC1	734421962	LVIZAGZWSPKQRM-UHFFFAOYSA-N	359.470	4.650	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(C)n(Cc4ccco4)c3C)[nH]c12	735669453	PHAVSDLAJAGMBC-WOJGMQOQSA-N	356.429	4.995	50	20	FJGD	
O=C(NN=Cc1ccccc1OC(F)(F)F)c1cccc2ccccc12	741465722	TXHICVWWXZIQRP-UHFFFAOYSA-N	358.319	4.502	50	20	FJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cc3cc(F)ccc3o2)c1	741760055	HGFQKCNMKDUNCP-UHFFFAOYSA-N	368.408	4.533	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(c2cccc(Cl)c2)CC1	747589132	YYSUCFZTWSAKKX-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	747743883	IHKADXDRDXQEPA-QGZVFWFLSA-N	372.472	4.839	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cnc1Cl	760213139	WOSHNGGZZINLAP-IZZDOVSWSA-N	366.635	4.896	50	20	FJGD	
Cc1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)sn1	770060854	MPFVYWOYNALEOS-UHFFFAOYSA-N	351.646	4.560	50	20	FJGD	
O=C(NN=C1CC2(CCC2)C1)c1cn(-c2ccccc2)nc1-c1ccccc1	772832201	BNIIMODSASINDH-UHFFFAOYSA-N	370.456	4.589	50	20	FJGD	
CCOc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1OCC	780806199	BGUYTKRIEPZXML-UHFFFAOYSA-N	356.466	4.538	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(Cl)c1OC	783687818	OIUQRPNTMRHPSE-JXMROGBWSA-N	368.241	4.862	50	20	FJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)c1ncc(C(C)(C)C)s1	801647983	LDCJVYOJVLKVOY-XNTDXEJSSA-N	363.490	4.702	50	20	FJGD	
CC(C)CNC(=O)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811501006	CRYQLGQJMHZCBD-UHFFFAOYSA-N	374.912	4.692	50	20	FJGD	
COc1cccc([C@H]2C[C@H](NC(=O)CCCC[C@@H]3CCSS3)C2)c1	836996614	RHVLDJKFMKMKKZ-JFIYKMOQSA-N	365.564	4.772	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1scnc1C	841023902	BNFZGMKGUKBAGO-UHFFFAOYSA-N	359.520	4.721	50	20	FJGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1Cc1nnc(-c2ccccc2)o1	844346782	CMWQAHWDSGUEFO-QGZVFWFLSA-N	373.573	4.723	50	20	FJGD	
CC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(OC)cc1	849187461	SAYJEPVFTDJZSY-IAGOWNOFSA-N	353.553	4.977	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3cnccc23)c1C	875865631	PZSXSYMPPDGLGU-DEDYPNTBSA-N	372.472	4.999	50	20	FJGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)s1	914867363	UQCYTKWNFUUZLO-YRNVUSSQSA-N	358.271	4.631	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccccc3OC(F)F)c[nH]c2c1	920068229	MJAXCCISBLNXBC-ZROIWOOFSA-N	352.340	4.868	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(Cl)nc2cc(Cl)ccn12	1321860754	MBAGZZRCTUSNKS-WQLSENKSSA-N	356.212	4.739	50	20	FJGD	
O=C(c1cccc(CCl)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	1336301989	ADNHQPKKTKRPDX-VXGBXAGGSA-N	373.724	4.628	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1csc(-c2cccs2)n1)C1CCCCC1	112224674	UEJOCOMENNBMKX-JLHYYAGUSA-N	357.504	4.570	50	20	FJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2cc3cc(C)c(C)cc3o2)cc1	178548980	YFUATIVHPGJXSI-BOPFTXTBSA-N	373.412	4.554	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OC	195089613	ZRPFUGJCHNHKME-GZTJUZNOSA-N	374.440	4.811	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	212018926	YKWFIJNWWXLHDZ-YBEGLDIGSA-N	354.793	4.991	50	20	FJGD	
Cc1cccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1	215786587	WEBAGMYOTQDCMC-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C1CCCC1	733077812	NBWTZBMKRODZBJ-UHFFFAOYSA-N	366.490	4.691	50	20	FJGD	
Cc1ccc2oc(C(=O)NNc3ccc(Br)c(C)c3)cc2c1	734251179	DDFHRHBIBCLFBA-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
Cc1ccoc1C=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	743424331	JCWXYHPJYBBPHB-UHFFFAOYSA-N	368.820	4.584	50	20	FJGD	
Cc1c(C(=O)NNc2ncnc3ccsc23)oc2c1ccc1ccccc12	766675744	VNRMNGSHUUIIRN-UHFFFAOYSA-N	374.425	4.656	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)C1(c2cccc(C(F)(F)F)c2)CC1	770197162	MUTXZZYARCMOTM-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
C[C@H](CBr)CN1CCC(c2nc3ccccc3s2)CC1	770646772	SKIGVDCFGCXPFC-GFCCVEGCSA-N	353.329	4.507	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(Oc2ccccn2)cc1	771151636	DYMQLCZHMIUMKS-UHFFFAOYSA-N	372.787	4.815	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(F)cc1C(F)(F)F	771877559	SPKWDOSOYXCKBT-UHFFFAOYSA-N	374.337	4.691	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1OC	772177273	SMRQNWWMRXWOMD-CHHVJCJISA-N	357.356	4.552	50	20	FJGD	
COc1ccc2c(c1NC(=O)CCCC[C@@H]1CCSS1)CCC2	791125359	MCGOQTMZTJSQFW-CQSZACIVSA-N	351.537	4.837	50	20	FJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)c1ccc2ncccc2c1	794884766	RYHHMNYKGYBWOF-ZROIWOOFSA-N	359.385	4.773	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc2ccc(Cl)nc2s1	798129665	DMJIPRJRKANBFM-VIFPVBQESA-N	373.956	4.997	50	20	FJGD	
Cc1ccccc1-n1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)nn1	806570533	CFUOXBJXLDVNGB-GZTJUZNOSA-N	369.453	4.763	50	20	FJGD	
N#C/C(=C\c1cnccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1	809153534	WTJVXTYIMXIGGE-BJMVGYQFSA-N	359.241	4.971	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(O)cc(C(F)(F)F)c3)n2)cc1	811627541	ZOVDXFRIBZRSGK-MKMNVTDBSA-N	371.318	4.834	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)sc2ccc(C#N)cc12	815857714	QHBUYXZBQHBJMC-UHFFFAOYSA-N	359.813	4.631	50	20	FJGD	
C[C@]1(C(=O)O)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841841383	QHNKRSJEGXJUGU-ZDUSSCGKSA-N	374.331	4.673	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc2ccc(Br)cc2s1	848084109	VJHCVFGDCANUIH-UHFFFAOYSA-N	367.095	4.540	50	20	FJGD	
N#C/C(=C\c1csc(Br)c1)c1nc(-c2ccccc2)no1	913617453	BMXPQAMFXTWRTL-WUXMJOGZSA-N	358.220	4.625	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H](c1cccs1)C1CC1	916233469	ZUFQYZZPZXRDAJ-AWEZNQCLSA-N	356.278	4.832	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(-c2cnco2)cc1	918252891	KDHCXHFDPQVNIV-UHFFFAOYSA-N	355.397	4.825	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	920064864	LZTBRWVLYHXGDF-NBVRZTHBSA-N	354.409	4.668	50	20	FJGD	
Cn1c(/C(C#N)=C/c2csc3ccc(C(=O)O)cc23)nc2ccccc21	1776129374	GYOBIRDEWXEION-MDWZMJQESA-N	359.410	4.550	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1OC	7350300	WGIXZVUADIFTIB-SFQUDFHCSA-N	353.393	4.803	50	20	FJGD	
N#CC(=C/c1cccc(OCc2ccccc2)c1)/C(O)=N/c1nccs1	33779803	XMVGLFJDHXWPLB-BOPFTXTBSA-N	361.426	4.917	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1)c1ccccc1	63275842	PNIGGUVKMUOYSK-BPKVKKHESA-N	365.483	4.656	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NNc3ccccc3C(F)(F)F)cc2C1	68773247	UABRGIKVAAQHAD-JTQLQIEISA-N	354.397	4.649	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1)C1CCCCC1	112224608	IAUBDEIKBOFZJD-VBKFSLOCSA-N	351.475	4.508	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(F)cc2cccnc12	124236696	LUMVCVQHWPECLB-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)c3nc(C)c(C)s3)cs2)c1	125440982	FMGKKQLINWLFFJ-AUWJEWJLSA-N	353.472	4.956	50	20	FJGD	
Cc1ccc(NNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1	170817401	WVSZTJCVPUCLPU-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	174054189	AXCBCXKMQHPLPZ-RIYZIHGNSA-N	361.228	4.685	50	20	FJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1cccc2cnccc12	178477355	PAVJNLNNTSUBEJ-UHFFFAOYSA-N	364.408	4.530	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)c1cnc2ccccc2n1	588580039	AADQHZLODJEDQR-GHXNOFRVSA-N	357.747	4.949	50	20	FJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	588607243	DINZLPPOIKNIFR-BRFSQIRFSA-N	366.486	4.677	50	20	FJGD	
CC(C)(CNC(=O)CCCC[C@@H]1CCSS1)c1ccc(F)cc1	728538621	SEDRUCQMWKEWLM-MRXNPFEDSA-N	355.544	4.934	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1F	731490217	VHCQKJLIMFMKAY-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)s2)cc1	734303737	YDUKMCSFLPXIII-QUYZQLMHSA-N	373.481	4.903	50	20	FJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1cccc(F)c1	748091126	FLULQQPYVRZLHL-QPJJXVBHSA-N	358.722	4.654	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccc(Cl)cc3)s2)c(C)c1	749271055	QRDQDUDJQRNUTH-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCCOc2ccccc21	749864343	VXTYQGCGJUUBBN-ZBFHGGJFSA-N	351.537	4.731	50	20	FJGD	
O=C(NCCC1CC(O)C1)Nc1ccc(S(F)(F)(F)(F)F)cc1	763857026	RDHISMRQRIDHQP-UHFFFAOYSA-N	360.348	4.627	50	20	FJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)Nc1ccccc1C(F)(F)F	790098353	ADCRGRPQSBCLTD-YFHOEESVSA-N	356.756	4.966	50	20	FJGD	
CSc1cccc(F)c1CNC(=O)CCCC[C@H]1CCSS1	803381615	BUEZPENKZNHHNK-LBPRGKRZSA-N	359.557	4.878	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc3ccccc3c3cccnc23)cc1	817921006	FVAPSVUHAZRNJC-UHFFFAOYSA-N	357.413	4.544	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3cnccc23)c1C	875865637	PZSXSYMPPDGLGU-MOSHPQCFSA-N	372.472	4.999	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1Cl	915851797	UYGVIVTUGNDMPB-UVTDQMKNSA-N	366.852	4.916	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)s1	134288769	MVBKAJCIJODNPI-MRVPVSSYSA-N	364.776	4.547	50	20	FJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1ccccc1F	152900115	OHBONCZTAVVOQK-UHFFFAOYSA-N	367.858	4.729	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(Br)cc1	178915768	NWFYUYBKSJXNJP-UHFFFAOYSA-N	365.296	4.707	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	184214348	SFVYNEMVTNTGQY-UHFFFAOYSA-N	354.385	4.555	50	20	FJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/C#N)c2ccccn2)cs1	211376187	KEAVRDRGPWDAQB-BOPFTXTBSA-N	374.469	4.904	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(C)cs3)o2)cc1	211692370	RNXWBZFTKLSRSZ-YBEGLDIGSA-N	364.426	4.952	50	20	FJGD	
COc1ccccc1/C=C(\C(=O)NNc1cccc(F)c1)c1ccccc1	255224784	KQGDPEKHXDEMTR-ZHZULCJRSA-N	362.404	4.518	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1Cl	732716177	JNPDOXVBZVRGNS-VBKFSLOCSA-N	358.869	4.603	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cnc(N3CCCC3)nc2)CC1	741469484	LHEVPTASVDWQSR-MOSHPQCFSA-N	366.509	4.549	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1OC	741470397	QVMZOQXAUYFCIE-LFIBNONCSA-N	362.433	4.518	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743336218	FHRIQFBQBYZJJA-CHWSQXEVSA-N	357.187	4.518	50	20	FJGD	
O=C(NNc1ncccc1Cl)C1(c2ccc(Cl)c(Cl)c2)CCC1	749535925	IVZNMVMNSXVUPO-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1cccc(C(F)(F)F)n1	754247005	LQQHGXOHLNTESR-STQMWFEESA-N	363.383	4.533	50	20	FJGD	
CCS(=O)(=O)C[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	762785159	DKEFJPSALCNDBC-VIFPVBQESA-N	353.378	4.579	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccnn1C1CCCC1	764452261	MYJUOKRROIMHKG-UHFFFAOYSA-N	373.671	4.715	50	20	FJGD	
O=C(NN=CCc1ccc(F)cc1Cl)c1c(Cl)cccc1Cl	766447882	RQRIIBWPCLJSBL-UHFFFAOYSA-N	359.615	4.744	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)c1ccc(OC(F)F)cc1	776257404	KXCURNMMYYYPML-MDWZMJQESA-N	365.282	4.679	50	20	FJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2cc(F)c(F)cc2F)c1	790000602	GYSBUUHRXOZAQA-LBPRGKRZSA-N	366.383	4.530	50	20	FJGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc(Cl)c(OC)c1	790174250	GPBDMVBERIUCPZ-TZIYXEQSSA-N	374.868	4.682	50	20	FJGD	
Cc1c(C(=O)NNc2ncccc2C(F)(F)F)sc2cc(F)ccc12	806901501	JXUZNCWKRYLSMN-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC2(CCC2)[C@H]1C1CCOCC1	819755575	AXAUNXNYKCHYKP-SJLPKXTDSA-N	369.596	4.508	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1	857500083	JHBGXXOLYNVVCV-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
COc1cc2ccccc2cc1C(=O)NNc1ccccc1C(F)(F)F	912639343	KYVJCOJBISVHPK-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C\c1sc(Sc2ccccc2)nc1Cl	915355445	SGUASDKQVPYTKF-LUAWRHEFSA-N	362.863	4.584	50	20	FJGD	
C[C@@H]1CCCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	916284590	MXQKSAUSUZJKEZ-OAHLLOKOSA-N	358.445	4.593	50	20	FJGD	
CC(C)n1ncc2c1[C@H](NCc1ccc(OCCCCl)cc1)CCC2	1118321131	IUAZNNIRTWNZBE-LJQANCHMSA-N	361.917	4.639	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OCc1ccccc1	7208356	CWZZRMZBQUOHLP-XDHOZWIPSA-N	365.429	4.523	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(N4CCCCC4)o3)c[nH]c2c1	63454676	DRCBSXPKFYKUDX-VBKFSLOCSA-N	359.429	4.850	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccccc2F)c(-c2cc3ccccc3o2)n1	66407687	HSYQYTQDVVFZHB-GDNBJRDFSA-N	371.371	4.762	50	20	FJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccc(C)cc3)s2)cc1	126986397	ZKVIKSQMERWMNW-UHFFFAOYSA-N	367.474	4.583	50	20	FJGD	
Cc1c(NC(=O)CCCC[C@H]2CCSS2)cnn1-c1ccccc1	129059685	VVVDMIRORZHXBJ-INIZCTEOSA-N	361.536	4.833	50	20	FJGD	
COCCOc1ccccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	176675784	UKPRAXJIZBLCCK-QGOAFFKASA-N	362.454	4.899	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2C(F)(F)F)cccc1-c1ccccn1	178805456	KZMZPUALCIGBKL-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1cc2c(ccc3ccccc32)o1	728700469	PXQRZSIQFHMOJG-FNORWQNLSA-N	350.805	4.917	50	20	FJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)[C@@H](C)c1ccccc1	746369245	PLOCJJWJDSSLGV-OAHLLOKOSA-N	363.486	4.648	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2nc(C(C)C)n3ccccc23)c(C)c1	755625916	IBGVWOFKEFVIIT-PDGQHHTCSA-N	372.472	4.929	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c1	760463522	SINWEAMSHCYTKZ-UHFFFAOYSA-N	362.477	4.580	50	20	FJGD	
COC(=O)c1oc([C@@H](C)OC(=O)CCCC[C@H]2CCSS2)cc1C	767268523	PCEUWRMUYBDWJI-OLZOCXBDSA-N	372.508	4.693	50	20	FJGD	
CCC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772807103	IWCIJFYHCHREAH-SECBINFHSA-N	360.348	4.587	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(SC(F)(F)F)cc2)ncn1	773174912	BCERULYNAMYCCY-IZZDOVSWSA-N	353.394	4.875	50	20	FJGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1ccc2ccccc2n1	777532982	SCGMOUNYGYMOLW-UHFFFAOYSA-N	362.477	4.758	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1c1ccccc1Cl	781079408	JBKCMJFXXPMNOF-KGLIPLIRSA-N	358.707	4.813	50	20	FJGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@@H]1C	781114101	KTMAVGIRKRNUJN-JKSUJKDBSA-N	372.472	4.839	50	20	FJGD	
Cc1oc(C#N)cc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	798212080	WORWRGPGYCHUSG-CQSZACIVSA-N	374.771	4.931	50	20	FJGD	
Cc1cc(Br)c(C(=O)NNc2c(C)cccc2F)cc1Cl	804564744	LKJAMDNVJAURET-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
C[C@@H]1COCCN1c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811471004	ALYGXFMOHRNGTC-QGZVFWFLSA-N	374.912	4.532	50	20	FJGD	
COc1ccc(Oc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cn3)cc2)cc1	812242747	UTJRZJNOKTZQRI-FOWTUZBSSA-N	373.368	4.855	50	20	FJGD	
CO[C@@H](CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	836511740	IZRWTESRJSGNKW-LBPRGKRZSA-N	360.348	4.891	50	20	FJGD	
C[C@@H]1C[C@H](O)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	836512078	MIEJAPWZJQCJSK-KOLCDFICSA-N	360.348	4.579	50	20	FJGD	
O=C(NCCC[C@H]1CCCN1)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179466	NTLOYIRBPDFNJZ-LLVKDONJSA-N	373.391	4.998	50	20	FJGD	
C[C@](CN)(NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	841188869	AIFKVLPIJNEUCC-CYBMUJFWSA-N	359.364	4.593	50	20	FJGD	
CN(CC1(C)COC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	860898471	KBQTUFQQHPCOSX-UHFFFAOYSA-N	360.348	4.844	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc3ccccc3c2)c1C	915850731	UBROVYCLMSTHQM-XDHOZWIPSA-N	372.424	4.751	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	915992378	ZROJVFOSYYALAP-ZROIWOOFSA-N	354.337	4.658	50	20	FJGD	
O=C(CCCc1ccc(Cl)cc1)NNc1ccc(Br)cc1	918320093	PNTGOOLYFNZLDS-UHFFFAOYSA-N	367.674	4.569	50	20	FJGD	
Cc1cccc(Nc2ccccc2C(=O)NNc2ncccc2Cl)c1C	734247448	LVUPZGNRXVWTLH-UHFFFAOYSA-N	366.852	4.852	50	20	FJGD	
O=C(C[C@@H]1C=CCC1)NNc1c(Cl)cc(Br)cc1Cl	742006792	YUUDYHOFDMAVOA-MRVPVSSYSA-N	364.070	4.555	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2C)c1C	751448885	WXGJDEQUPVBCPE-WQRHYEAKSA-N	366.461	4.630	50	20	FJGD	
COc1cc(Cl)c(C=NNC(=O)c2cc3ccccc3o2)cc1Cl	753932506	QGEKCLCBCWNGQD-UHFFFAOYSA-N	363.200	4.512	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c2ccccc21	769724138	FTQWYMAJIIWLSL-VKAVYKQESA-N	366.424	4.755	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2coc(C(C)C)n2)c1C	802970820	JWQDWHFWOOVIKJ-VCHYOVAHSA-N	369.465	4.667	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cn1	812244841	JDKSTAQLHCIRPU-UKTHLTGXSA-N	351.362	4.922	50	20	FJGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)c1cc(C(F)(F)F)ccn1	812246405	KSFZMHBGMIENEV-UXBLZVDNSA-N	352.699	4.516	50	20	FJGD	
COC(=O)Nc1cccc(NC(=O)NNc2c(C)cccc2C(C)C)c1C	812976566	FNIMNDMERCUOKF-UHFFFAOYSA-N	370.453	4.754	50	20	FJGD	
N#C/C(=C/c1ccc2oncc2c1)C(=O)Nc1ccc(SC(F)F)cc1	821027914	NAQPVVWUCDDRAV-GHXNOFRVSA-N	371.368	4.688	50	20	FJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccccc23)CC1	822079839	BQSLICDXELBRKN-UYOCIXKTSA-N	372.428	4.820	50	20	FJGD	
CC(C)C[C@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841180069	WRHFNTNHVVAMAI-LLVKDONJSA-N	361.380	4.839	50	20	FJGD	
NC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841189962	KOYXWQZTOZQVJV-MFKMUULPSA-N	373.391	4.983	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(C(=O)N3CCCC3)cc2)s1	864366644	WOBBSGMCBDFYDK-SFQUDFHCSA-N	365.502	4.741	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C(C)C)C2CC2)c(C)n1C1CCCCC1	914471281	SNVRAOQJXVBBLQ-CPNJWEJPSA-N	353.510	4.917	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1ccccn1	915841085	OONSMSOSPYIZEV-JLHYYAGUSA-N	355.228	4.947	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccccc3OC(F)F)n2)cc1	915862687	NUXPFOHXKFXTDK-GDNBJRDFSA-N	353.328	4.711	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	917516191	NHBFJCZSSUDMFI-CYVLTUHYSA-N	354.409	4.908	50	20	FJGD	
CCCOc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1	917539394	HUGJGLLPFLXERM-UHFFFAOYSA-N	351.233	4.546	50	20	FJGD	
COc1ccc(CCC(=O)NN=Cc2cc(-c3ccccc3)cs2)cc1	920381021	IYPLCYMKJQJHAC-UHFFFAOYSA-N	364.470	4.507	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC	6952610	OIQMRCRCYFIQKI-GHRIWEEISA-N	361.445	4.825	50	20	FJGD	
CCCOc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cccc1OCC	33471247	CPDWSMDNENZHRR-LGMDPLHJSA-N	352.390	4.846	50	20	FJGD	
Cc1cccnc1[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(C)C	115406633	ITQGNZPIHOWRPH-RDJZCZTQSA-N	352.569	4.917	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2c(Cl)cccc2C1	124219028	BEKGUWOIYWTSJX-AWEZNQCLSA-N	355.956	4.939	50	20	FJGD	
N#C/C(=C\c1ccc(Br)c(Br)c1)c1ccccn1	177011433	VECDWXNQEDCPCT-YRNVUSSQSA-N	364.040	4.671	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	190173348	KBPSTDHVCCUAGO-UHFFFAOYSA-N	370.396	4.843	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1O	274065042	QSXRURXJSVEWGB-CABZTGNLSA-N	360.348	4.579	50	20	FJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)c1nnc2n1CCCCC2	290575555	UYMXZIGWFOPWHK-MHMBTURYSA-N	370.403	4.616	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)C(=O)c1cccc(F)c1	588598382	ZTXNXKIDLNXFJF-ODLFYWEKSA-N	358.372	4.590	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(\C#N)c1nc(-c2ccccc2)no1	759116471	HAIJCWOZKHDCEK-XNTDXEJSSA-N	366.218	4.872	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc[nH]2)c1C	760729993	LLGSNEPCFYNMDZ-UOBPLZBXSA-N	372.472	4.515	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2csc(Cl)c2Cl)cc1	761395147	YZXLWIHUHCSIKX-TWGQIWQCSA-N	353.230	4.609	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)c1c[nH]c2cc(F)ccc12	761476927	KSJFITBXJIGDAO-BJMVGYQFSA-N	360.175	4.799	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	764412694	UCCCWVOOCQNMOH-GHXNOFRVSA-N	368.380	4.527	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	773165091	SAGGWWILHZXMAQ-NTEUORMPSA-N	366.779	4.826	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)c(OC)cc2C)c1C	774907028	HLYHMQSNPBHUIJ-LICLKQGHSA-N	369.440	4.517	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccc(Oc2ccccc2)c1	775243528	NAYKFHHNSGRYDU-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cc(-c2ccccc2)on1	775640376	ADMSPMAPLNNFNU-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccccc3n2CC(F)(F)F)c1	787461817	QALIGGUMHJBAPH-UHFFFAOYSA-N	361.367	4.577	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NNc2c(C)cccc2C(C)C)cc1	794949409	PTUMAPHNGMVSJA-AQTBWJFISA-N	363.461	4.567	50	20	FJGD	
C/C(N)=C(\C#N)c1nc(-c2cc(C)n(-c3ccc(C)c(F)c3)c2C)cs1	806553412	OLRKGCBNOXHBFR-LGMDPLHJSA-N	366.465	4.878	50	20	FJGD	
ClCCCOc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1	811487014	RAGYNLQVBMUUED-UHFFFAOYSA-N	355.869	4.551	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245412	RLSAIJAZKVRLSB-ATVHPVEESA-N	357.369	4.730	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1nc(-c2ccccc2)oc1C	812767092	CQPSYLCPOWDMIO-UHFFFAOYSA-N	363.461	4.768	50	20	FJGD	
C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	835720802	CGPRQDRAUNKSAL-UHFFFAOYSA-N	372.359	4.611	50	20	FJGD	
CC(C)(C)n1cc(C(=O)NNc2ccccc2)c(-c2ccccc2Cl)n1	111554459	AEBDRIPOQXSTDP-UHFFFAOYSA-N	368.868	4.715	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2ccc(OC(F)F)c(Br)c2)n1	180055240	KRYYFNPYFSXKIV-WMZJFQQLSA-N	371.206	4.880	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cn2cc(Cl)ccc2n1	255498922	SZXMFEQOQLMIMI-MDWZMJQESA-N	360.804	4.567	50	20	FJGD	
CC(C)(C)[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734657565	IXXFXLNWHCJDAU-MRXNPFEDSA-N	351.372	4.517	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(Cl)ccc3Cl)on2)cc1	752812701	JFLFZAKUZXSMMF-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CCCCC[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)C(C)C	755283340	TVNBOGPPLAJTGZ-LBPRGKRZSA-N	359.297	4.607	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)oc2c(F)cccc12	761581568	VLLKQEMJBSQZRY-UHFFFAOYSA-N	368.286	4.536	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1C#N	766287985	JLOWTYZIXBEGQR-VGOFMYFVSA-N	356.212	4.719	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)c(Cl)c1C	779202248	XIIQOAZZHMCWSH-UHFFFAOYSA-N	358.747	4.612	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)C1CCCC1	781554783	WACVZYSCVKMWNU-JLHYYAGUSA-N	360.244	4.845	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1OC	783686858	AVASCCIUSKJOIZ-LCYFTJDESA-N	361.850	4.989	50	20	FJGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C\C2CC2)oc1-c1ccc(Cl)cc1	786675322	IAEURPVWPCUJRF-ZENNRRHLSA-N	356.809	4.768	50	20	FJGD	
COc1cc(NNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)ccc1Cl	790168500	MCLGMLPGBMEEMY-MSOLQXFVSA-N	366.848	4.749	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(-c2ccnn2C)c1	801647549	LPLCPMQCUVSYLL-UYRXBGFRSA-N	370.456	4.558	50	20	FJGD	
CCc1ccc2occ(C(=O)NNc3ccc(Br)cc3)c2c1	802824786	HKIJBMUNNGRWSQ-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1	812768322	OMZMZNHFVNNJFL-INIZCTEOSA-N	366.509	4.507	50	20	FJGD	
CC(C)(C)c1cnc(C=NNC(=O)c2ccc(Cl)cc2Cl)s1	814761845	FHIJVNWBRQKVIO-UHFFFAOYSA-N	356.278	4.511	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1	817882164	BMXQKIWMYOFXCD-UHFFFAOYSA-N	356.809	4.756	50	20	FJGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(Br)cc1Cl	825731402	GEXVKUFMRNQAQC-ZETCQYMHSA-N	373.600	4.524	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H]2C[C@H](O)CC[C@H]2C1	839890213	HGNKZHVJGVPHIF-YNEHKIRRSA-N	371.371	4.577	50	20	FJGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccccc2Oc2ccccc2)C1	846460399	CHUNPQQPAJKTQW-WMZOPIPTSA-N	354.450	4.517	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3ccc(Cl)cc3F)o2)cc1	1326093563	HKIASKREOWICLO-UKTHLTGXSA-N	369.783	4.992	50	20	FJGD	
CC(CC[C@@H]1[C@@H](C)CCCC1(C)C)=NNC(=O)c1cccc(C(=O)O)c1	1776096220	QMDDJHGFCMMCDA-KBXCAEBGSA-N	358.482	4.733	50	20	FJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)NCc1ccccc1	22016121	LBAKSPFCUFTJFB-XNTDXEJSSA-N	362.376	4.522	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1c(CC)noc1CC	155179346	YLTHIABOAYXQCD-UHFFFAOYSA-N	371.506	4.679	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)c(C)n1C1CCCCC1	175475265	RKJCZOJZQGKJMT-UHFFFAOYSA-N	365.399	4.784	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc2[nH]nnc2c1	183995734	IBVCYBQLSMWJJV-UHFFFAOYSA-N	364.299	4.868	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCO1	184406996	KXCMIGMUZDZUHX-SNVBAGLBSA-N	360.348	4.987	50	20	FJGD	
O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1	252615113	JPCLUOXODGAKNT-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
C[C@H](N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)O	297148487	KHVNASKHTCWDCY-VIFPVBQESA-N	362.364	4.967	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1SC(F)(F)F	588515510	CWKJQPWQFFXLPF-XFXZXTDPSA-N	364.348	4.550	50	20	FJGD	
COc1ccc(NNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1	729273075	DYFQNRKIIFFYRD-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1ccc(O)c(Cl)c1	734096182	JKFQRAVODHDZGY-UHFFFAOYSA-N	365.241	4.678	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1	738528953	MFZLDINMKIXKKR-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
Cc1cc(C)c(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)c(C)c1	743763236	CGCZGWOXCNKPKN-MRXNPFEDSA-N	350.384	4.791	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2c(F)cccc2s1	747588236	FKFJOFHPUAKJHB-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1SCCc2sccc21	748018040	FNHBXWISNRDZTP-CYBMUJFWSA-N	359.303	4.529	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1(C2CC2)CC1	761616637	BFLCQAVQXBFAQB-GFCCVEGCSA-N	364.820	4.970	50	20	FJGD	
Cc1nccn1CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762979604	WNXWXMRTVHMSDI-UHFFFAOYSA-N	370.347	4.671	50	20	FJGD	
C[C@@]1(CO)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762979658	JYMDOIQXHZUKDW-ZDUSSCGKSA-N	360.348	4.723	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1c(Cl)cccc1Cl	763612810	MYHCIHMZKPQUCQ-UHFFFAOYSA-N	358.294	4.813	50	20	FJGD	
CC(C)(C)Sc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787295708	DGYDWKPBHNEPFO-QINSGFPZSA-N	352.459	4.828	50	20	FJGD	
CC(C)c1ccc([C@H]2CCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787476374	RCDNZOQKGLHCBS-VOSMRYOYSA-N	360.457	4.786	50	20	FJGD	
CCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)cnn1C1CCCC1	791739183	GYARWRLMDMFKQH-UHFFFAOYSA-N	367.280	4.624	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	794874042	ISOYIOFUSYHUIK-RAXLEYEMSA-N	368.389	4.776	50	20	FJGD	
Cc1ccccc1C1(C(=O)NNc2c(C)cccc2C(C)C)CCOCC1	794952528	JHTNBTGWXBUNEO-UHFFFAOYSA-N	366.505	4.618	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)c(C)cc2Br)c1	804467440	BRKXSYDYQLLUTL-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1	811471744	JEMUIMBQPHDLLV-JOCHJYFZSA-N	366.892	4.969	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(Cl)c1OC	812248233	HPVVOZLQMDSYON-YRNVUSSQSA-N	368.742	4.835	50	20	FJGD	
O=C(CCC(F)(F)F)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014696	URCAOBKAQDWYCX-UHFFFAOYSA-N	368.199	4.510	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)c2c(C(C)C)noc2n1	837057294	WJBHFWNQHVZZSO-UHFFFAOYSA-N	352.438	4.535	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1cccc(C(F)(F)F)c1	912641740	LYKZFZIPLSUHNY-UHFFFAOYSA-N	373.378	4.556	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2F)c1C	915847579	CSZHUVVLWBQZKF-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)OC[C@@H](C)CBr	1116655281	ONQGYWWZTHCMQI-LBPRGKRZSA-N	366.255	4.653	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CC[C@@](C)(C(=O)O)C2)c1	1776500600	KQEZJCMHJMODMD-OXQOHEQNSA-N	363.574	4.804	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-]	7159337	KIHCCNCWNUXARR-GZTJUZNOSA-N	357.369	4.602	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(-c2ccccc2F)o1	132728958	ZLZSZKMRNUBNNN-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1ccc(F)c(Cl)c1	179605348	YQBCMPUMEJKBMX-CAOOACKPSA-N	365.795	4.514	50	20	FJGD	
N#C/C(=C\c1sccc1Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	195334068	UXTUNUKDRZRGQT-VQHVLOKHSA-N	373.890	4.642	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnc(C3CCCC3)s2)c(C)c1	254952833	UHHLIAZNMVXMKP-YBEGLDIGSA-N	351.475	4.963	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)Nc1cccc(Cl)c1	728593101	MLRBWGUCOLTVIJ-UHFFFAOYSA-N	354.635	4.560	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2c(F)cc(F)cc2Br)cc1	741978443	HKGXJLWKTHJKGQ-UHFFFAOYSA-N	369.209	4.608	50	20	FJGD	
N#C/C(C(=O)CSc1ccc(F)cc1F)=C1/Nc2ccccc2S1	746199528	DSQUTUZLIPTIFI-GZTJUZNOSA-N	360.410	4.579	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1Br	746394913	TWAWCQJGAJAKGW-FMNVXAMXSA-N	369.262	4.542	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc2cccc(C)c2o1	748754347	PEOMRNKRHPOJIA-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccn(-c2ccccc2)n1	748862546	VOXTWSLHWYZFNH-QGZVFWFLSA-N	362.520	4.630	50	20	FJGD	
CCCCC[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)C(C)C	755283332	TVNBOGPPLAJTGZ-GFCCVEGCSA-N	359.297	4.607	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)Nc1ccc(SC(F)F)cc1	756272219	YPWMFHDLNLQVOP-JYRVWZFOSA-N	373.359	4.558	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)N3CC=C(C#N)CC3)c3ccccc3n2)cc1	767158001	RBJDBGDGMCRJOL-UHFFFAOYSA-N	353.425	4.506	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	768267292	BCGOSAKZBZGLMB-CAXXOGMASA-N	358.182	4.573	50	20	FJGD	
Cc1cc(Br)cc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	768299199	DLLCIYLWLFYVET-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)CCCCCl	780719343	NIIHRNINGVFCRY-CQSZACIVSA-N	357.903	4.555	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1OCc1ccccc1	781553734	WPSKHZFTOCTISZ-DEDYPNTBSA-N	361.441	4.940	50	20	FJGD	
CC1(C)CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782982681	YWAQEGSZAJXUTM-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
C=CCCN(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	786058442	QMNLSOUQGRQDGF-LBPRGKRZSA-N	352.809	4.946	50	20	FJGD	
CC(C)n1cc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)nn1	808398040	XRWOGRMIJURXCQ-CYBMUJFWSA-N	364.824	4.690	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2oc(CO)cc2c1	816760046	AZODBAQWSNBHPO-HNNXBMFYSA-N	351.493	4.578	50	20	FJGD	
COc1ccc(-n2cc(/C=C(\C#N)c3ncc(C(C)(C)C)s3)cn2)cc1	834441488	KYKLKKGTLSKCHT-OQLLNIDSSA-N	364.474	4.699	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2scnc2C(C)C)c1C	836977359	JIIGRFVRAGETEU-SXGWCWSVSA-N	356.495	4.641	50	20	FJGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	838343805	ZRVDEQIXXCFCJG-RKDXNWHRSA-N	355.187	4.805	50	20	FJGD	
COC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	853008720	XPPPCLHCJXWCIJ-MLJKTZRHSA-N	362.351	4.578	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(Cc2ccco2)C(C)C)c(C)n1CC(C)C	914485177	ZIWGBXXTOULJLA-JAIQZWGSSA-N	367.493	4.698	50	20	FJGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)c1cc(Cl)cc(Cl)c1	921138235	AMMPCEZZVCTVBZ-VGOFMYFVSA-N	374.223	4.945	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccccc2Cl)o1	1339110495	ITZGREACMWMILN-UHFFFAOYSA-N	356.784	4.811	50	20	FJGD	
COc1cccc2c1CC[C@H]2NC(=O)CCCC[C@@H]1CCSS1	153803968	NRIPCFKBLCIVPV-CZUORRHYSA-N	351.537	4.513	50	20	FJGD	
CC[C@@H]1COCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184425714	YXTDNCVNPJBJJM-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
C[C@@]1(O)CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192261962	UMQYGOYXLYJFFV-CYBMUJFWSA-N	360.348	4.723	50	20	FJGD	
CN(C)C(=O)CCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	273853816	KLFHJVUPBBSCMR-UHFFFAOYSA-N	360.348	4.541	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCn2cncc2C1	377811406	LTDNJFRVBXTCSA-UHFFFAOYSA-N	368.331	4.588	50	20	FJGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)[C@H](CC)c2ccccc2)ccc1OC	731933198	VNUNINFDRLRCPF-VQIMIIECSA-N	368.477	4.516	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1OC(F)F	735620325	XGLDIWSFKPKUMH-JYRVWZFOSA-N	355.344	4.546	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CC=CCC2)c(C)n1C1CCCCC1	736055326	QNFVPWNEIAQNBK-IAERKFLBSA-N	351.494	4.742	50	20	FJGD	
O=C(NNc1nc2cc(C(F)(F)F)ccc2s1)Nc1cccc(F)c1	743813502	RDJJYEVSDZMBNF-UHFFFAOYSA-N	370.331	4.603	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Oc2ccccc2)cc1	746707047	RSZQDSPSIQDVJL-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)c1cc2ccccc2o1	749841142	UEXAONFTUSPVLP-HXUWFJFHSA-N	356.425	4.651	50	20	FJGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762969607	UKUGGHMJVPTNSM-UHFFFAOYSA-N	373.347	4.687	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)OCC2CCC(C(F)(F)F)CC2)c1	770326490	UZMPEAXUMQHDRS-OQLLNIDSSA-N	367.367	4.514	50	20	FJGD	
COc1cc(SC)ccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	772650916	XRWZZHJZOZJOBK-UHFFFAOYSA-N	371.384	4.585	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)c1ccc(F)c(C(F)(F)F)c1	773148073	GWSLEMXAUBAWKA-RIYZIHGNSA-N	361.294	4.569	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1	776617665	YILOEWGEQKFYPL-PXLXIMEGSA-N	368.436	4.528	50	20	FJGD	
N#C/C(=C\c1ccc2ccc(Br)cc2n1)C(=O)C1CCCC1	781553499	ALXXBBBGQWFUAS-NTEUORMPSA-N	355.235	4.664	50	20	FJGD	
C[C@H](C=NNC(=O)c1cc2ccccc2o1)c1ccc(C(F)(F)F)cc1	789022546	FDMCGGYRKULNKJ-GFCCVEGCSA-N	360.335	4.971	50	20	FJGD	
C=C(CBr)COC(=O)c1cc(-c2ccccn2)ccc1Cl	795564850	ACEGHVIUFJUEQD-UHFFFAOYSA-N	366.642	4.510	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccnn2-c2ccc(F)cc2)s1	797399144	OVBSQSIERUZLTH-RAXLEYEMSA-N	352.438	4.830	50	20	FJGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)sc2cc(F)ccc12	805197581	ACOBOVQPLQHBAL-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1c(F)cc(C(F)(F)F)cc1F	810685005	FNUFABKAUCLFQY-UHFFFAOYSA-N	370.321	4.619	50	20	FJGD	
CC(C)c1nc(CCNCc2ccc(OCCCCl)cc2)cs1	811477087	FDZXZEKQPNVNCP-UHFFFAOYSA-N	352.931	4.607	50	20	FJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccc(Cl)c(F)c1	815857703	PQGBEFQRLLGFCK-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CCCc1c(C(=O)NNc2c(C)cccc2Cl)cnn1C1CCCC1	836934409	XDLLSHQCBKPQPQ-UHFFFAOYSA-N	360.889	4.669	50	20	FJGD	
COc1nc(Cl)c(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)n1C	1116005075	OTIPUZZRGFFLKC-JYRVWZFOSA-N	370.865	4.578	50	20	FJGD	
N#C/C(=C/c1csc(-c2cccs2)n1)C(=O)Nc1ccc(F)cc1	78481789	CZSGCSIVPSFDIQ-FLIBITNWSA-N	355.419	4.556	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	171157582	DXELKCCXVVFDRI-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccc(OCCCC#N)c1)c1ccccc1	188579167	BBOVWJLVIQLOCY-GFCAVMEOSA-N	373.456	4.544	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1F	588619150	ZHDYLKGAEUAHGU-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
O=C(NN=Cc1cccc(Br)c1)c1c(Cl)cccc1Cl	727781562	QGELXCVKXQIIMS-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)CC(C)(C)C)s2)cc1	728430789	FURPZTHBXBHWOU-UHFFFAOYSA-N	364.902	4.735	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3)c2)cc1	730575242	KNNXZEVLUFZHSR-XKZIYDEJSA-N	355.441	4.674	50	20	FJGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(-c2ccncc2)cc1	749824005	TWTNXGIJBXUFSB-UHFFFAOYSA-N	355.397	4.649	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1	754279763	FMQCONCVPQFIDT-UHFFFAOYSA-N	366.440	4.510	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccc(F)cc3)cs2)cc1	767918238	VIBZGYPNQDPAFB-GDNBJRDFSA-N	364.401	4.748	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CCCc2sccc21	768012818	ZVHMPJWXMCJGMX-JTQLQIEISA-N	359.253	4.757	50	20	FJGD	
CCC(CC)(C(=O)NNc1ccccn1)c1ccc(Cl)c(Cl)c1	777473296	ATKQPTHJSGQHHS-UHFFFAOYSA-N	352.265	4.590	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1)c1ccccc1	787176463	BUDXEOQDGDFYAP-URBQWANRSA-N	355.441	4.718	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1)c1ccccc1	787179287	PMFVCVGIRIUDJD-CNSVBDKNSA-N	371.440	4.825	50	20	FJGD	
Cc1cnc([C@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)C2CC2)s1	790389338	KVBYKNFTFUMVKA-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1	790600844	HVWXFQJOAZVICP-POHAHGRESA-N	363.845	4.779	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	799756638	HUCIKQPTNGQHHC-MRXNPFEDSA-N	350.384	4.737	50	20	FJGD	
Cc1ccc(-c2nnco2)cc1NCc1ccc(OCCCCl)cc1	811469606	IAFNJICPSPQJKO-UHFFFAOYSA-N	357.841	4.665	50	20	FJGD	
N#C/C(=C/c1c(OC(F)F)ccc2ccccc12)c1ccc([N+](=O)[O-])cn1	812242434	QJFMQHFIDCPBCT-LCYFTJDESA-N	367.311	4.809	50	20	FJGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1cc2ccccc2o1	834726104	NRVPYIBEUNZVPO-SQWSFHKJSA-N	373.408	4.780	50	20	FJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(C)C)cc1	837053616	VEQHZEWVYZCYNO-UHFFFAOYSA-N	359.451	4.587	50	20	FJGD	
CC(C)c1ncsc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377401	SKHDECZLBGIJEW-UHFFFAOYSA-N	363.792	4.696	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1cc(C)n(C2CCCCC2)c1C	846642270	APQXVSOXVGUGHM-UHFFFAOYSA-N	359.445	4.515	50	20	FJGD	
CC1(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC=CC1	847553491	HJJLEKBGEIILNV-UHFFFAOYSA-N	370.343	4.507	50	20	FJGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12	916287885	PLAZUVPEAHUUEU-UHFFFAOYSA-N	353.425	4.716	50	20	FJGD	
Cc1ccc(C2CCC(=NNC(=O)Nc3ccc(C(=O)O)cc3)CC2)cc1	1776046857	LAKWICGZZMXQEW-UHFFFAOYSA-N	365.433	4.529	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/C(C)=C/c1ccccc1	7208115	BBIJHFBSAYZLGW-JOEZZVDMSA-N	362.429	4.544	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(-c2ccc(OC(F)F)cc2)s1	111550159	KKCHIFJNVGHJFM-UHFFFAOYSA-N	360.385	4.773	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1c[nH]c2cc(F)ccc12	176389836	APKVPMJKACZOCM-KPKJPENVSA-N	374.350	4.626	50	20	FJGD	
CCC(CC)CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183503217	FKCKBAGOZXVQDX-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
CC[C@H]1COCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184425735	YXTDNCVNPJBJJM-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	726117823	DTZASUQPEXSVDX-GXDHUFHOSA-N	368.389	4.776	50	20	FJGD	
Cc1cc(OC(=O)[C@@H](OC2CCCC2)c2ccccc2)ccc1[N+](=O)[O-]	726912315	ROYOXUOKZKWQLY-IBGZPJMESA-N	355.390	4.509	50	20	FJGD	
COc1ccc(C2(NC(=O)CCCC[C@H]3CCSS3)CC2)cc1	731655149	IKYSVQUSVPJBDV-INIZCTEOSA-N	351.537	4.515	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC1(c2ccccc2)CCOCC1	732779547	VQCPNBKLJGTQBK-QGZVFWFLSA-N	365.564	4.523	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3F)c2C)sc1C	741473559	IYTQJDQDBZBLAD-VGOFMYFVSA-N	370.428	4.905	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC(c2cccc(Cl)c2)C1	753923487	IRQFRAVESFOWHB-UHFFFAOYSA-N	363.244	4.665	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1Br	765613129	HNGOWVCNLYISAW-XCVCLJGOSA-N	365.133	4.700	50	20	FJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1	767905126	LFJPQHJVGBADCA-DZPOILEGSA-N	369.465	4.551	50	20	FJGD	
CCC[C@@]1(C)NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771861066	NJTVNXFZJXZPMA-CYBMUJFWSA-N	358.332	4.959	50	20	FJGD	
O=C(Cc1cccc(C(F)F)c1)NNc1ccnc2cc(Cl)ccc12	790498310	RQGOXEVHJVVPBS-UHFFFAOYSA-N	361.779	4.512	50	20	FJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1cc(C)ccc1C	793705113	APLKWIJDDAQCPB-UHFFFAOYSA-N	369.852	4.931	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Br)c1C	794870034	QUQRLAHDWQMTAX-LCYFTJDESA-N	373.225	4.751	50	20	FJGD	
C/C(N)=C(\C#N)c1nc(-c2cc(C)n(-c3cccc(F)c3)c2C)cs1	806553064	GBPHHHXBOWIWDZ-ATVHPVEESA-N	352.438	4.570	50	20	FJGD	
C=CCCC(CCC)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	814785570	XCYGMWMECMKXEK-UHFFFAOYSA-N	371.506	4.858	50	20	FJGD	
C[C@@H](CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)N(C)C	822618873	OHXOESSUKATSOC-JTQLQIEISA-N	361.380	4.806	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CC2)c1C	915848047	JPNLRNQCCDAMRD-YBEGLDIGSA-N	353.853	4.947	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@H](Oc1ccccc1)c1ccccc1	918014202	NUBFJXOIGGIWFT-LJQANCHMSA-N	352.821	4.603	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccccc2)no1	921262140	QOWARMCWOCYSOR-GDNBJRDFSA-N	371.318	4.742	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Br)s1	7157931	XYSJRTLVFROTQY-XYOKQWHBSA-N	361.264	4.673	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cccc(OCc2cccs2)c1	30873322	CTKHNNAWURTRRK-UHFFFAOYSA-N	358.850	4.737	50	20	FJGD	
O=C(NNc1cccc2cnccc12)C(c1ccccc1)c1ccccc1	178516293	DSLKIVIKQZJRKV-UHFFFAOYSA-N	353.425	4.510	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)c1ccc([N+](=O)[O-])cc1	184331957	WHIOSVFLEQDCRY-QPEQYQDCSA-N	366.270	4.739	50	20	FJGD	
CCCOc1c(/C=C(\C#N)c2cnc3ccccc3n2)cccc1OCC	191350766	BSDNUPZJMOKDNG-GHRIWEEISA-N	359.429	4.881	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2sc(C)nc2C)c1C	729206211	JVRIYPSTYAPYBT-ZDLGFXPLSA-N	371.506	4.629	50	20	FJGD	
C[C@@H](CCNC(=O)NNc1ccc(F)cc1)c1cccc(C(F)(F)F)c1	746423302	XSLKDNZSZLHCOE-LBPRGKRZSA-N	369.362	4.664	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)C1(c2cccc(C(F)(F)F)c2)CC1	749274114	DHUOIEGHLIGJBX-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)C1(c2c(Cl)cccc2Cl)CCC1	772520357	AGVWMAWTKCGRAD-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
Cc1c(C(=O)NNc2nccnc2C(C)C)oc2c1ccc1ccccc12	772832530	CPGJWTLPKSOJNG-UHFFFAOYSA-N	360.417	4.565	50	20	FJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccc(Cl)cc2)s1	776183566	VRTVEOUVRSBDDM-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
Cc1ccccc1-c1nc(C(=O)NNc2nc3ccccc3cc2C)cs1	777479228	WQBMJBUZZPTNMA-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)c1	782447336	SLJHIFSOMITOJV-LZNAANCOSA-N	374.396	4.562	50	20	FJGD	
Cc1sc(CC(=O)NNc2c(Cl)cccc2Cl)nc1C(C)C	789985430	CQHQFMNOQNVENK-UHFFFAOYSA-N	358.294	4.568	50	20	FJGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	799872567	URQFCLHCNBXZEO-OPGJCSGMSA-N	367.820	4.658	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)s1	802823825	GYJSOBYQDVXXSN-UHFFFAOYSA-N	355.168	4.831	50	20	FJGD	
O=C(NNc1ncccc1F)Nc1ccc(N=Nc2ccccc2)cc1	806101601	KSFOZZJIFUQQEP-UHFFFAOYSA-N	350.357	4.785	50	20	FJGD	
C[C@@]1(CN)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190530	QPYGZJOQPPXRHG-ZDUSSCGKSA-N	359.364	4.547	50	20	FJGD	
CCCCN(CC(F)(F)F)C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	918609486	PTQIYKUSVLFCCK-GZTJUZNOSA-N	369.431	4.613	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(C)c(Cl)c2)cnn1-c1ccccc1	1337700160	NPPGVOBURJICCL-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)ccc1C(=O)O	1777287416	GJMNGSZKRGCPBE-IZZDOVSWSA-N	370.817	4.721	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	5125531	ZCSPYADAAOUGTQ-XNTDXEJSSA-N	363.398	4.791	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1C	6302807	RAMRTUUUEDOBAR-MHWRWJLKSA-N	371.868	4.723	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	16406777	ZMIGYENKCSGJRQ-RVDMUPIBSA-N	364.792	4.807	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1ccc(CSc2ccccc2)cc1	114883156	ARXJXVMBLSQNLU-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1ccc(Cl)cc1F	126504729	HXKTUPKNPIPSGS-YHYXMXQVSA-N	365.147	4.831	50	20	FJGD	
CC(C)[C@@H](CNC(=O)CCCC[C@H]1CCSS1)c1cccnc1	176340715	SYFCHPPQYVGYCU-DLBZAZTESA-N	352.569	4.652	50	20	FJGD	
CCc1nn(C)cc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	179725587	UIGAESKHSGUZPX-MDWZMJQESA-N	354.866	4.824	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2)c1Cl	726119284	WSOOKHIJZXVNQE-GZTJUZNOSA-N	355.869	4.806	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	726428884	PWOBPCFALLYLHG-LZNAANCOSA-N	367.420	4.935	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1SC(F)(F)F	748581152	WTARXGALQALVHW-UHFFFAOYSA-N	366.408	4.934	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	749273577	NAHQSXJNLYCSJS-GKUGFIGPSA-N	372.818	4.932	50	20	FJGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1cccc2c1CCCC2	752144404	WXNHCGFCZZIONU-UHFFFAOYSA-N	353.853	4.765	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1[nH]c2ccccc2c1Cl	752810425	PTLUABBHXBXSTC-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
Cn1cnc2cc(/C=C(/C#N)c3nc4cc(Cl)ccc4s3)ccc21	761197224	BNLFDSOIRWFZSN-SDQBBNPISA-N	350.834	4.901	50	20	FJGD	
N#C/C=C/CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	763301289	OHLWPADOFKMRMR-SNAWJCMRSA-N	352.850	4.760	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	764414990	XKEAHEMXSXMFBQ-CSKARUKUSA-N	366.414	4.617	50	20	FJGD	
Cc1ccc(C)c(SCc2cccc(C(=O)NNc3ccccn3)c2)c1	777472514	LHPVNBBVSNCJEJ-UHFFFAOYSA-N	363.486	4.748	50	20	FJGD	
C[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CCC1	778020328	MGXWAPZPVPAQNU-SECBINFHSA-N	365.389	4.811	50	20	FJGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)Nc1cccc2ccccc12	790209439	RJXOUPPDTRATOC-OBGWFSINSA-N	364.408	4.571	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)c1ccccc1	794689993	VXFQZEVBMJLYCP-YBEGLDIGSA-N	367.330	4.681	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1ccc2ncccc2c1	794964523	CVIBTJUTJIBUSL-OVCLIPMQSA-N	363.760	4.586	50	20	FJGD	
CCCN(N=C(C)[C@@H](C)c1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C	794997684	BUJYATPKOQRQSK-CQSZACIVSA-N	364.486	4.830	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cn1	797789439	QQRCQPCEERMUJB-AQTBWJFISA-N	363.424	4.857	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CCC[C@H]2CCCF)cc1OC	800807751	FLGFOHHWDQUPHP-HNNXBMFYSA-N	364.461	4.510	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccc(C)o2)cc1OC	840721230	BPNSWJJHCHWOSC-ZSOIEALJSA-N	359.809	4.829	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2OC)c1C	917798443	AWZDKNIOEGQVOT-CPNJWEJPSA-N	365.477	4.768	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1	920068995	XSFGYDNTDKPONC-LICLKQGHSA-N	366.424	4.965	50	20	FJGD	
COc1cc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ccn1	1324547605	HABNGBJXUPEJRN-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ncccc3C(F)(F)F)n2)cc1	1324637571	VOPGALRHVWKABD-UKTHLTGXSA-N	356.307	4.523	50	20	FJGD	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(CCCCl)cc1	110204190	QZODQPBCUMLWEO-UHFFFAOYSA-N	358.290	4.621	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1)c1ccccc1	158300206	YPBJPGHYGBGJBS-WNSCPLKPSA-N	353.425	4.533	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(OC)c1OC	175634920	COXGPRNYJICRGS-UHFFFAOYSA-N	370.474	4.654	50	20	FJGD	
CC(C)CCN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193056333	WBBBKMZNHRBHOY-UHFFFAOYSA-N	374.375	4.787	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(C(F)(F)F)cc1	726875193	PUAVXPPZQOLXNX-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cnn(-c2ccc(F)cc2)c1	728176237	PSDNNMRENFWHFD-YBEGLDIGSA-N	370.387	4.591	50	20	FJGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1cccc2ncccc12	730145749	NGBCDWZSAMBFCI-UHFFFAOYSA-N	357.438	4.727	50	20	FJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3cccc(Cl)c3)c2)cc1	737788098	NEIVGDCPCHVGMS-UHFFFAOYSA-N	362.820	4.712	50	20	FJGD	
O=C(NN=Cc1csc(-c2cccs2)n1)c1cccc2ccccc12	741465593	PUHPDTSOAXUVAX-UHFFFAOYSA-N	363.467	4.789	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Oc2ccccc2)nc1	748587721	BFRMFEMRLCQCTP-UHFFFAOYSA-N	359.429	4.510	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cc(-c2ccco2)on1	748844534	RQWHWHFARCYCCZ-CYBMUJFWSA-N	353.465	4.692	50	20	FJGD	
C[C@H]1[C@H](C)N(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1C	752977298	OWJKCNPRDFBVMJ-QWRGUYRKSA-N	373.391	4.900	50	20	FJGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNc1cc(Cl)ccc1Cl	756032253	BLLTZBDADXRSLB-MRVPVSSYSA-N	358.191	4.741	50	20	FJGD	
N#C/C(=C\c1ccc2ccc(Br)cc2n1)C(=O)c1ccccc1	771519082	CBYRSXFDWZONTQ-XNTDXEJSSA-N	363.214	4.787	50	20	FJGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146970	YXPHZPLGTCYALW-SDQBBNPISA-N	364.254	4.543	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)c1nc(-c2ccccc2)no1	779799120	QYYQQGJAXDHODK-RVDMUPIBSA-N	351.793	4.853	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1cccc(Cl)c1	780153351	NJJGOOSGCWQALS-CAOOACKPSA-N	365.795	4.514	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	787170087	VIMHAWUSRKGYMU-UVABGONOSA-N	361.401	4.704	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cnc(-c3ccco3)s2)c(C)c1	788098425	MTFMUYDCMSXAOW-OQLLNIDSSA-N	363.442	4.874	50	20	FJGD	
CSSCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	791151006	YDWJTYIFENBDTQ-UHFFFAOYSA-N	370.499	4.750	50	20	FJGD	
Cc1nc(CC(C)C)c(C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791738925	BHDRCPXKTGWNOA-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc2nc(-c3ccccc3)oc2c1	793838570	MDHNJZFQGUOYJJ-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(/C#N)C(=O)Nc1nccs1	799888938	KATPDBBWVNBBHR-PHRMNRNWSA-N	363.364	4.654	50	20	FJGD	
COCCN1CCC(NCc2cccc(S(F)(F)(F)(F)F)c2)CC1	840891782	DIRGCGHWFSMHBV-UHFFFAOYSA-N	374.419	4.544	50	20	FJGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccccc2Oc2ccccc2)CCO1	846460300	AURGSVDBKQQCMM-WMZOPIPTSA-N	354.450	4.517	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1C[C@H]2CC[C@H]1[C@@H](O)C2	887979522	HXMOTYZDPCHJFS-XDTLVQLUSA-N	372.359	4.721	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1	912779089	MWYBOMQGXRZGPG-QINSGFPZSA-N	369.446	4.537	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3ccc(F)c(Cl)c3)oc12	915848618	DMZSZOQIJHWVKN-XYOKQWHBSA-N	370.767	4.780	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776708327	WBSVBVWGUNLCCN-CIAFOILYSA-N	361.441	4.893	50	20	FJGD	
O=C(Nc1ccsc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	190368979	PNNJVKBXNCJGLY-UHFFFAOYSA-N	372.340	4.983	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(CC)c2C)cc1	727976240	OIJFVDCRTAMGLU-CRRKTRLDSA-N	350.466	4.579	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1C	742224851	ZPHJQTCZLOCXOJ-OBHPCNEJSA-N	369.431	4.515	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	742346793	PKNFNOBWGNQXKK-NSIKDUERSA-N	361.228	4.685	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F	747697217	WGGWJPDIZMWJSU-KHCPYNEOSA-N	360.310	4.946	50	20	FJGD	
C[C@H](c1nc2ccccc2s1)N1CCN(/C(=C\C#N)c2ccccc2)CC1	750791195	MZMMZBRPJIIYFZ-LELXDKESSA-N	374.513	4.540	50	20	FJGD	
CS[C@H](C)CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	752176097	MXVZUNIOHOTBIG-KCJUWKMLSA-N	372.865	4.779	50	20	FJGD	
Cc1nc(C)c(NC(=O)NN(Cc2ccccc2)c2ccccc2)s1	757241029	LKLXXWXPWHRWKD-UHFFFAOYSA-N	352.463	4.503	50	20	FJGD	
C[C@@H](CBr)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	770668512	NXRGCNMOSXOABR-GUYCJALGSA-N	367.718	4.639	50	20	FJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)c1cccc2c1OCCO2	771515220	YWRKSORDETUWAA-BENRWUELSA-N	365.772	4.647	50	20	FJGD	
C[C@H]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773324955	FQZZSUWSLCQTJO-VHSXEESVSA-N	372.359	4.539	50	20	FJGD	
Cc1ccc([C@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)cc1	774842610	BCQWNUPUJBYTTI-FQEVSTJZSA-N	363.441	4.660	50	20	FJGD	
C=C(C)CN(CC)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777844876	NSECDMKRHHZAER-UHFFFAOYSA-N	365.389	4.931	50	20	FJGD	
C[C@H]1CCCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777845892	XAVIPNZZBCXVJE-JTQLQIEISA-N	365.389	4.907	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)Cc1cccc2ccccc12	788709589	NALQWGKAFIEYSN-UHFFFAOYSA-N	350.849	4.748	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(C(F)(F)F)cc1	839424016	FVLSCSDIQNJLFN-UHFFFAOYSA-N	356.347	4.551	50	20	FJGD	
C[C@H]1C[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1	841191453	ZOGZFNVNZHDOMG-GXSJLCMTSA-N	359.364	4.606	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(F)cccc2F)c(C)n1CCC(C)C	912706478	FDOAJWCRUUYVLI-BOPFTXTBSA-N	371.431	4.975	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1	915843530	QCCVOPRWWUICFJ-PGMHBOJBSA-N	367.452	4.678	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)c3ccsc3)c2C)cc1	915990155	VSXQECVYTFNDOR-VXLYETTFSA-N	361.470	4.708	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C/C(C)=C/c2ccccc2)cc1OC	916348996	SUCDKDNSQHXOKQ-WCORQTQESA-N	366.461	4.693	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3cccc(C#N)c3)o2)c(C)n1CC(C)C	1329074225	KRNMDVXBMMGHFX-JMIUGGIZSA-N	371.444	4.747	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1C(=O)O	1777287485	YHVCNAGJEIYGGF-DHDCSXOGSA-N	362.410	4.581	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	1079103	VQIAJTMYJRRAAT-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1Cl	8117457	VWNQCDFOUZDCMJ-DHMFGZFHSA-N	356.809	4.611	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1	134294429	NRXKKXCAPWQGLM-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)CCCC[C@H]1CCSS1	152809995	RVVZAUPUMFWHJA-YOEHRIQHSA-N	353.553	4.544	50	20	FJGD	
CC[C@@H](CCO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184426803	FKBRXICUZUUJDJ-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)c1cc(F)cc(F)c1	193165341	FOIJSWSLHGNZEW-RIYZIHGNSA-N	352.365	4.878	50	20	FJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1sc2nc(C)cc(C)c2c1N	727253873	NDPSABXRHVLANI-CYBMUJFWSA-N	358.511	4.571	50	20	FJGD	
C[C@H]1CCCC1=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	729140473	INSFDNZEUXPOOQ-AWEZNQCLSA-N	361.420	4.947	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730260862	WLVIQBVNVHVLKJ-PTNGSMBKSA-N	362.433	4.849	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccc(O)c(Cl)c1	734093745	QOVSNYGLRHKLOJ-UHFFFAOYSA-N	370.836	4.898	50	20	FJGD	
CC(C)Oc1ncc(C(=O)NNc2ccc(Cl)cc2Cl)cc1Cl	748018803	MSVUFSXKXPKWFH-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1cccc(Cl)c1Cl	748993590	ALYYPYOHWKLNSQ-UXBLZVDNSA-N	352.608	4.587	50	20	FJGD	
CCSc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccc1F	754153894	QTEVODNDTSCYNF-UHFFFAOYSA-N	358.360	4.713	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cnc1Cl	760212254	VZMLAYZYFIRWQT-LFYBBSHMSA-N	356.212	4.968	50	20	FJGD	
C[C@H]1C[C@@H](C)N(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777973043	MNIXPXRTBFVZON-VHSXEESVSA-N	365.389	4.763	50	20	FJGD	
Cc1occc1-c1cc(NC(=O)NNc2ccc(Cl)cc2Cl)no1	786205614	QWNVDRPAFMQCKS-UHFFFAOYSA-N	367.192	4.698	50	20	FJGD	
C[C@@H](Oc1ccccc1NC(=O)NNc1ncccc1F)c1ccccc1	806273267	SPYROBDIXSTQSQ-CQSZACIVSA-N	366.396	4.509	50	20	FJGD	
CCC(CC)[C@H]1C[C@@H](NCc2ccc(OCCCCl)cc2)CCO1	811486629	GVLMJVNDMUNSCE-AZUAARDMSA-N	353.934	4.768	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1ccc(C(C)(C)C)cc1	813513205	KBCMONLDTJPKKJ-UHFFFAOYSA-N	361.283	4.812	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnc2c(F)ccc(F)c2c1	815850377	JOAWZVVPOSUHKW-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
CCc1ccc(C(=O)NN=Cc2c(Cl)ccc(Cl)c2Cl)cc1	818239121	VUHZTEKXFKHDHZ-UHFFFAOYSA-N	355.652	4.973	50	20	FJGD	
CN(C[C@H](CBr)C1CC1)C[C@H]1CCCO[C@H]1c1ccccc1	859106851	QNBRUADXXNMOGY-QYZOEREBSA-N	366.343	4.507	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(Cc2ccco2)C(C)C)c(C)n1CC(C)C	914485178	ZIWGBXXTOULJLA-RGVLZGJSSA-N	367.493	4.698	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(OC)c(-c2ccccc2)c1	1116924988	SGAMUNDFHDGFCZ-UHFFFAOYSA-N	360.457	4.990	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2c[nH]c3ccc(C(=O)O)cc23)cc1	1776271686	YKJRKRBZCNNDIE-MHWRWJLKSA-N	372.424	4.953	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CCCC(C)C)c1C	105284879	DFUFCIFOYPPCAQ-QIQVEEHJSA-N	373.541	4.550	50	20	FJGD	
CSc1ccc(Cl)c(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	179014591	PORBKNHYTJJSPM-UHFFFAOYSA-N	360.788	4.838	50	20	FJGD	
N#C/C(=C/c1nccn1CC(F)(F)F)C(=O)c1cc(Cl)cc(Cl)c1	255894789	VPMDRBNICYZJKQ-YHYXMXQVSA-N	374.149	4.542	50	20	FJGD	
O=C(C[C@H]1CCc2ccccc2C1)NNc1ccnc2cc(Cl)ccc12	732574949	IQHBKTSJWRYCJY-AWEZNQCLSA-N	365.864	4.527	50	20	FJGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(SC(F)F)cc1	734977529	XBGHVAFQRBFWJO-UHFFFAOYSA-N	359.401	4.637	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3cccc4c3CCCC4)o2)cc1	748577196	BSFHZMMJHAQCSZ-UHFFFAOYSA-N	374.440	4.785	50	20	FJGD	
CN1CCc2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21	751524160	MYNRFOQXQTZTHG-NTEUORMPSA-N	372.255	4.531	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(Br)c1	755181203	JBSZRBQKXXNCGO-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	762976299	RISWDROQMSFHIX-UHFFFAOYSA-N	356.320	4.697	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc(C(F)(F)F)ccn1	780763911	PRHOFIRRKPEQKW-LLVKDONJSA-N	350.431	4.753	50	20	FJGD	
Cc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1C1CCCCC1	781345707	ABLXHRSMNJWOBU-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccn2Cc2ccccc2C#N)c1C	782196574	DHWBYKDRJLTBOU-BKUYFWCQSA-N	365.436	4.815	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1cccc(C)c1C)=C\c1cccc([N+](=O)[O-])c1	787170379	YLLJROZDXGOMTP-RZTVDGLLSA-N	361.401	4.704	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCN1C1CC1	787523722	CCSBGRNZBNAKQR-CYBMUJFWSA-N	356.360	4.909	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1Cl	787999175	IOHLCNXNYRMQBC-UHFFFAOYSA-N	366.852	4.677	50	20	FJGD	
COc1cc(NNC(=O)c2cccc(Nc3ccccc3)c2)ccc1Cl	790180296	OXOQCVQHTZAXAX-UHFFFAOYSA-N	367.836	4.849	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)nc2)cc1	797785754	SNJSEAPJPWZBTI-RGEXLXHISA-N	368.440	4.704	50	20	FJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)C(=O)c1ccoc1	798229932	JNPBRPNSILSUKG-QPEQYQDCSA-N	372.211	4.870	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)ccc1C#N	799494630	IPDXLIUNIXZTTC-QPEQYQDCSA-N	357.196	4.664	50	20	FJGD	
COC[C@H](NCc1ccc(OCCCCl)cc1)c1cccc(Cl)c1	811507601	HZDKHARBKGUCSD-IBGZPJMESA-N	368.304	4.825	50	20	FJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812243881	BRNDPFNFFGKSRR-DRIRWXSCSA-N	357.316	4.602	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	918749147	MPSBAQVNHMPBLF-UXBLZVDNSA-N	363.248	4.560	50	20	FJGD	
Cc1cc(C)cc(OCc2nnc([C@@H](Br)C(C)(C)C)o2)c1	1329095337	RHHCCPDQVGOZJK-CQSZACIVSA-N	353.260	4.748	50	20	FJGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1ccccc1C(F)(F)F	68773604	XCDXDDNJDRLNKT-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cc(C)cc(C)c3)c2C(C)C)cc1	127062275	YSWXAYWSYCTPSB-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	174796278	OHUWYDXTYSTEKW-CABZTGNLSA-N	352.809	4.922	50	20	FJGD	
CO[C@H](C)CCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	180897881	RXFXNYKZGHSTCT-RNCFNFMXSA-N	355.809	4.660	50	20	FJGD	
O=C(NNc1ccccn1)c1sc(-c2ccccc2)nc1-c1ccccc1	181203898	BZRZAUKDCZVEOP-UHFFFAOYSA-N	372.453	4.629	50	20	FJGD	
O=S(=O)(NC1CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	181607007	DWQROBFYBPOYII-UHFFFAOYSA-N	351.362	4.565	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	726117825	DTZASUQPEXSVDX-UVTDQMKNSA-N	368.389	4.776	50	20	FJGD	
CC(C)Oc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1	727779180	PRNMJLLTQUCKQW-UHFFFAOYSA-N	351.233	4.545	50	20	FJGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3cc(Cl)cc(Cl)c3)cnc12	741468872	WGQBHYUJTAFQSG-NTUHNPAUSA-N	356.212	4.739	50	20	FJGD	
N#C/C(C(=O)CSc1cc(F)ccc1F)=C1\Nc2ccccc2S1	746235875	KNFPDMHRIWNCNN-BOPFTXTBSA-N	360.410	4.579	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	746340675	OWUQWDHDUQWVLF-QGOAFFKASA-N	374.440	4.682	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1Br	746392662	FDGQMUXXOBGYLL-GXDHUFHOSA-N	352.235	4.708	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(OC(C)C)n1	755134693	GMJIWVDDGWALPG-UHFFFAOYSA-N	369.490	4.819	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(Br)c2F)cc1	760492279	NXUJECLGKBAWOU-UHFFFAOYSA-N	365.246	4.643	50	20	FJGD	
C[C@]1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCOC1	762979210	TYFSFZZXCLFIFS-CYBMUJFWSA-N	360.348	4.892	50	20	FJGD	
N#Cc1ccc(/C=C\c2ccc(OCCBr)c(Cl)c2)nc1	763112714	AEUWTTWUOGIEOJ-RJRFIUFISA-N	363.642	4.551	50	20	FJGD	
CC(C)Cc1csc2nc([C@H]3CC[C@@H](Br)C3)nc(O)c12	765983310	SYCPVJUNTVJGLZ-GXSJLCMTSA-N	355.301	4.626	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(CCC(F)(F)F)c1	771174043	FREILRPMHGPORT-UHFFFAOYSA-N	355.335	4.778	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)c(C)n1-c1ccc(F)cc1	777465100	CLOKEQOBEAGLGX-UHFFFAOYSA-N	374.419	4.538	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	799391445	NTUFDVFOXQWATM-UHFFFAOYSA-N	364.449	4.978	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1nc2ccccc2cc1Cl	810042511	YLAYFWXWSXRFPS-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(-c3ccccn3)cc2)ccc1Cl	810332869	GPMUGHXOZQHLOC-UHFFFAOYSA-N	368.824	4.559	50	20	FJGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1cccc2ccccc12	814222576	BKSCGMHOOUGNCP-KVTHRKOLSA-N	358.441	4.805	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C/c2cccc(OC3CCCC3)c2)cc1	817885545	CPLWQJBRZNKPHK-XNTDXEJSSA-N	366.461	4.563	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2ccccc2)c1C	827238112	GTKNYCQQTNQUBH-ONQWYEKWSA-N	361.489	4.786	50	20	FJGD	
CS(C)(=O)=Nc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	848216481	DNLWOPUOSGOIDE-HNNXBMFYSA-N	372.581	4.698	50	20	FJGD	
C[C@@H]1c2ccccc2OCCN1C(=O)CCCC[C@H]1CCSS1	856487140	PGPMFLPZSJEVAZ-CABCVRRESA-N	351.537	4.683	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1	915991656	GBMHCYJMDKGFFP-YBEGLDIGSA-N	352.821	4.724	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)o1	918714243	QZQGCCTXAJLIDE-SDNWHVSQSA-N	351.402	4.645	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	919692825	WEQKFKGYOJGAGM-UHFFFAOYSA-N	370.518	4.559	50	20	FJGD	
N#C/C(=C/c1ccc(C2CCCCC2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129897	ACCKVAQEUGCDJY-ZHZULCJRSA-N	374.440	4.978	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cc3[nH]c(C(=O)O)cc3o2)CC1	1776779143	YAWOKWALEQGHHA-OQLLNIDSSA-N	368.433	4.932	50	20	FJGD	
CCCOc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cccc1OCC	7740797	CPDWSMDNENZHRR-GHRIWEEISA-N	352.390	4.846	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1[nH]c2ccc(Cl)cc2c1Cl	56422306	WGXZUFKSNJLJNL-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1	63279115	VMWYUAGBBFLSCS-IDUWFGFVSA-N	373.437	4.763	50	20	FJGD	
C=CCN(Cc1ccc(OC)cc1)C(=O)CCCC[C@H]1CCSS1	108691990	AJVSULRVJZITIN-SFHVURJKSA-N	365.564	4.924	50	20	FJGD	
CC(C)C[C@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181776402	BVUQVBHEMGQPPL-LLVKDONJSA-N	362.364	4.873	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1C	194519568	PSUFLOBBQJLJHP-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)/C(=C\C#N)c1ccccc1	255384760	LFBFQUNAQPPQEK-PDGQHHTCSA-N	373.378	4.530	50	20	FJGD	
C[C@@H](C#N)CN(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	264132405	MWTMEKXLUACYEY-CABZTGNLSA-N	365.808	4.529	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccnc(Oc2ccccc2)c1	728716422	BNCLYISCPUMLMP-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CC(C)C1CCC(=NNC(=O)c2cc(F)ccc2Br)CC1	729637156	VRMRQOJZAQDGRN-UHFFFAOYSA-N	355.251	4.520	50	20	FJGD	
CC(C)c1ccc(SCC(=O)NNc2nccc3sccc23)cc1	734249637	DWZUZJRFOMCOCD-UHFFFAOYSA-N	357.504	4.655	50	20	FJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1cccc(Cl)c1	737788243	PATSDIMOBDXYQC-NSHDSACASA-N	356.775	4.681	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	747031892	GRZDJHXQWNZXSL-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)o1	749450722	BPGXZLKXEQRWQS-ZROIWOOFSA-N	350.399	4.562	50	20	FJGD	
COc1ccc(C2(C(=O)NNc3cc(Cl)ccc3Cl)CCC2)cc1	752809788	IARYYUHEQDADSJ-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccnc1	766491396	OFSKQOHQMNFMOI-YBFXNURJSA-N	364.445	4.581	50	20	FJGD	
COc1cc(F)cc(NNC(=O)/C(C)=C/c2c(Cl)cccc2Cl)c1	768306823	FUWUESUUVAKCKH-UXBLZVDNSA-N	369.223	4.688	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ncc(C(C)(C)C)o2)cc1	782451200	MQPZKFPVEYKCAE-DSQDWWTGSA-N	368.433	4.582	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	794945640	JCSFQPCSMLVBAZ-WEVVVXLNSA-N	371.236	4.618	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2c(-c3cccc(Cl)c3)noc2C)c(C)c1	795142673	IMLAQQQYPKYUDW-UHFFFAOYSA-N	369.852	4.986	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	800622880	QGEHLVLAITWFTP-UXGWSWCCSA-N	358.416	4.580	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)cc1	811471821	LFZNZAPFEGCIJY-JOCHJYFZSA-N	372.940	4.621	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cc(Cl)cc(Cl)c1	816472891	VOLDUZMGTFWDHX-UHFFFAOYSA-N	352.265	4.831	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(C)c1O	6410981	IETMXWICPVUDET-NTUHNPAUSA-N	361.228	4.862	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1C[C@H]1c1c(F)cccc1F	116222893	LBRZEHGVQSGGEP-JMSVASOKSA-N	357.491	4.651	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	134284586	JNNKVTDWPZDWBE-WQLSENKSSA-N	359.882	4.948	50	20	FJGD	
Cc1ccc(-c2ocnc2C(=O)NNc2ccc(Cl)cc2Cl)cc1	151974171	YNEIQTPKOBOISL-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccccc2)s1	153644755	GWYTVTRWJPKWCG-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc(F)c3)c(F)c2)c(F)c1	154240365	JEUCAQUDCOYZHA-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	171417858	TYOTVMIWKGHKLQ-XNTDXEJSSA-N	362.820	4.584	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1cc(F)c(F)c(F)c1	175496151	LTHMRRUKQAKMBF-UHFFFAOYSA-N	366.408	4.919	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N1CCCCCC1	192976284	WCAAAJIYVCBJGW-UHFFFAOYSA-N	372.359	4.685	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl	727263894	ISAOPCMWUPXGLK-WJDWOHSUSA-N	352.821	4.759	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1	728717226	YBRYKXQRGZQEBM-LSDHHAIUSA-N	354.759	4.606	50	20	FJGD	
CC[C@H](CC(=O)NNC(=S)Nc1cccc(C)c1C)c1ccc(C)cc1	738507554	QXQOXBXINYLGHZ-QGZVFWFLSA-N	369.534	4.513	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)ccc1Br	746392593	DZJRWQNGAWUCCQ-XNTDXEJSSA-N	366.218	4.872	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)Nc1ccccc1Br	746685176	ZGJOLEKCRXUWIL-IAGWCDOLSA-N	353.219	4.551	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1cccc(Cl)c1	747415545	IYZKMJGFUQLKAH-QWHCGFSZSA-N	354.759	4.606	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3cccnc3Cl)cs2)cc1	754479740	DTJZYDDIBZJETG-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Br)c(Cl)c1	754827688	MYAZLUJVOIFIOE-WDZFZDKYSA-N	350.599	4.794	50	20	FJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ccccc3F)cc2)cc1	769983679	OWYGFZPCIPOKFU-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccnc2cc(Cl)ccc12	776222543	OCKXLNFZQNSZBD-UHFFFAOYSA-N	371.872	4.511	50	20	FJGD	
C[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@H]2CCCC[C@@H]12	782505188	VCICNRKEGUMKGP-OIBXWCBGSA-N	367.473	4.511	50	20	FJGD	
C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788021225	LVFFMSUHCUVSID-XLIONFOSSA-N	363.618	4.944	50	20	FJGD	
ClCCCOc1ccc(CNCc2sccc2Br)cc1	811478292	DTLSXXXHRCDXMP-UHFFFAOYSA-N	374.731	4.808	50	20	FJGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1	817016835	NBVKVXJSMRHFET-UHFFFAOYSA-N	354.294	4.604	50	20	FJGD	
NC[C@H]1CC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179557	PZBWKNWMOUXGAM-ONGXEEELSA-N	359.364	4.593	50	20	FJGD	
C[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1	916284643	PGNBTUPZYQHRSQ-OAHLLOKOSA-N	358.445	4.593	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(/C=C/C(=O)O)cc2)cc1	1776271629	LQYLECYYWGOMSD-ILPOUQNUSA-N	359.425	4.872	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccn1	16406992	OMSWAQAEDNCYQR-FMIVXFBMSA-N	351.749	4.967	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	66407816	WAYBIUHPEAXXGS-WDZFZDKYSA-N	352.825	4.632	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	132487933	SWRRGUUGNVDLIR-ZROIWOOFSA-N	361.228	4.685	50	20	FJGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)sc2ccc(F)cc12	132988578	XWXDSNPKZLWVBF-UHFFFAOYSA-N	370.236	4.808	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1scnc1C1CCCC1	184012837	VPAUHDFNASSZFR-UHFFFAOYSA-N	355.385	4.576	50	20	FJGD	
C/C=C\C[C@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	588493201	CDOCNXSDNJRFLH-OTDNITJGSA-N	360.348	4.793	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	726428063	DSMCZEJHDZQUOT-KMHUVPDISA-N	359.832	4.555	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(NC(=O)C(F)(F)F)c2)c1C	727655546	XLVLIRDRQGAIAX-OQLLNIDSSA-N	372.346	4.594	50	20	FJGD	
Cc1cccc2nc([C@@H](C#N)C(=O)CCCC[C@H]3CCSS3)[nH]c12	735791148	UZBBSKMLRDYDMO-KBPBESRZSA-N	359.520	4.762	50	20	FJGD	
C[C@H](NC(=O)NNc1ccccc1Cl)c1ccc(-c2ccncc2)cc1	746424428	CNSCGWNAEPLEAJ-AWEZNQCLSA-N	366.852	4.789	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H]1C[C@@H]1c1cccc(Cl)c1	747415544	IYZKMJGFUQLKAH-OLZOCXBDSA-N	354.759	4.606	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(SC(F)(F)F)cc1	770190370	GUCCJGNLCIEVDV-UHFFFAOYSA-N	364.751	4.848	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(OC(F)F)c(Cl)c1	771093390	ALTLYNWSRSHGCU-UHFFFAOYSA-N	359.735	4.538	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-]	774560712	NKANRHMNRPFWJK-JYRVWZFOSA-N	364.279	4.566	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCCOc2c(F)cccc21	778059668	XCGMNOIKJKPZIQ-CZUORRHYSA-N	369.527	4.870	50	20	FJGD	
CSc1ccc2cc(COC(=O)/C(C#N)=C\C3CC3)c(Cl)nc2c1	786676348	QLGFEEHTQZWGBC-MLPAPPSSSA-N	358.850	4.513	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797406414	FTUYQBLWMFLHKP-JYRVWZFOSA-N	360.866	4.945	50	20	FJGD	
COc1cc(C(=O)NN=C2CCCCC23CCCC3)ccc1OC(C)C	814755897	KACQKQQUYKCXOG-UHFFFAOYSA-N	358.482	4.703	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)c(C(C)C)n1	846376887	JEXWAFUYRJAMSI-UHFFFAOYSA-N	371.790	4.943	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]2NCC[C@H]21	868145235	NFYUGXUXHKHCEF-CHWSQXEVSA-N	371.375	4.702	50	20	FJGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2)C(C)C)cc1	915933067	DTTNBEMPJRNION-JXFKEZNVSA-N	367.493	4.541	50	20	FJGD	
CN(Cc1ccc(Cl)c(Cl)c1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	916148003	SFVXZYDWUWHMIQ-REZTVBANSA-N	362.216	4.898	50	20	FJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccc(Br)s1	916356959	SKZUAIRICYUSEX-JDYMHBPESA-N	355.301	4.919	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1-c1ccccc1	920064526	VUWQLGCYCHRGFX-FMIVXFBMSA-N	372.211	4.870	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC(C)C	7157412	UHEKAYAYUCIUPD-WOJGMQOQSA-N	364.445	4.584	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1nc2ccccc2s1	27312602	MMMYNUNWFOERFR-LBPRGKRZSA-N	352.550	4.627	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1cccc(C(F)(F)F)c1	78560878	DIDZHQQAYFQTOW-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
C[C@H]1CCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181706915	WKGRFLKANCRBLD-VIFPVBQESA-N	351.362	4.517	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)c1C	727655463	UJYWDKIXAQIXEK-UYRXBGFRSA-N	355.441	4.896	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3ccc(C)cc32)c1C	730190495	CPBADELAVHKRSO-WVWKGNOCSA-N	361.489	4.534	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	731489393	FVXLILXANNQTBW-LCYFTJDESA-N	356.800	4.545	50	20	FJGD	
CCCC1CCC(=NNC(=O)c2ccc(OC)c(Br)c2)CC1	731939027	YHGDMRAZZXCOCC-UHFFFAOYSA-N	367.287	4.534	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cc1	741466795	FGUZXUHVZAWJDP-CAPFRKAQSA-N	368.436	4.932	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	749466636	QGZULIQVAFQXCD-GFKDLEGOSA-N	363.408	4.906	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	750800583	GQSFUTFKMZTTIY-UYNZCYITSA-N	352.865	4.650	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCc2c[nH]nc2C1	752973179	NZXCGONDDXWTSL-UHFFFAOYSA-N	368.331	4.657	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1OC1CCC1	754147893	QXGAUYBTFAIXOG-UHFFFAOYSA-N	368.330	4.533	50	20	FJGD	
Cc1ccc(-c2nc(COC(=O)[C@H](Br)C(C)(C)C)co2)cc1	766753438	YYOUJWVASAQNDG-AWEZNQCLSA-N	366.255	4.503	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(OC2CCCC2)c1	777477415	NMKLKBVEHHMSJE-UHFFFAOYSA-N	361.445	4.622	50	20	FJGD	
C=CCN(C(C)C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777897327	HNGTVLUBMRCTFF-UHFFFAOYSA-N	365.389	4.929	50	20	FJGD	
C[C@@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1C	777984978	OFIMTERSXJODLN-NXEZZACHSA-N	365.389	4.621	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1)c1ccccc1	787142356	UTGTYKUCXPKIRT-WPNIOXTASA-N	365.502	4.975	50	20	FJGD	
COCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)oc2ccccc12	791727099	MNWBBPSWTUJEAH-UHFFFAOYSA-N	365.216	4.643	50	20	FJGD	
CCCN(N=Cc1csc(-c2cccs2)n1)C(=O)OC(C)(C)C	794996685	UMPWMGHRZRYWQA-UHFFFAOYSA-N	351.497	4.853	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1F	799891485	FEDNRQMANLKYSN-GHXNOFRVSA-N	367.273	4.782	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CC[C@@H]3CC)cc2)cc1	807946786	UDYHSKYIYVCMND-KRWDZBQOSA-N	366.461	4.570	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812246689	RRORAJFHMVANLQ-KPKJPENVSA-N	366.726	4.605	50	20	FJGD	
CC(C)CC(=O)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl	916342993	XBYNZJYSUYNASE-UHFFFAOYSA-N	371.293	4.690	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)c1ccccc1Cl	1317901591	PDJQWEZVOAJRBX-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccc(Oc3ccncc3)c2)cc1Cl	1318545257	LCCKMKJMPKROFA-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2)s1	1319369627	DELVNRUTXAFOJF-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
CCCCCOc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1	108872792	MSILDRGKUWJGCL-QNGOZBTKSA-N	369.486	4.902	50	20	FJGD	
COCc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)o1	130373357	LGDRKPMKQLVCLG-ZROIWOOFSA-N	352.415	4.622	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(O[C@H](C)C#N)cc3)c[nH]c2c1	171541257	GFSYOJKJVXJOOB-ZXMBATIKSA-N	355.397	4.557	50	20	FJGD	
NC(=O)c1csc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	183998249	KFSUCOHGWHJXRT-UHFFFAOYSA-N	372.340	4.757	50	20	FJGD	
O=S(=O)(NCc1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1	186170530	OGOMIOCBGFGIDU-UHFFFAOYSA-N	373.368	4.823	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3cccc(Br)c3)oc12	195640787	KAPFVMAQXCEZHM-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(C)c1O	213080603	JOQYLHJYETXJOR-ZROIWOOFSA-N	374.412	4.869	50	20	FJGD	
O=C(NNc1ccccc1)c1cccnc1Nc1cccc(C(F)(F)F)c1	255935851	ZTRBOLFPGJXRBP-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CCC(C)(C)C)c1C	736052910	MJIJZMAVGNNQNA-UFXXEWMCSA-N	373.541	4.550	50	20	FJGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccc(Br)cc1Cl	737431212	DSLYFVMBXVDVKT-LLVKDONJSA-N	369.690	4.789	50	20	FJGD	
O=C(NN=CC1CCCCCC1)c1ccc(Br)cc1Cl	741842912	NPYBGHKCDIOEOX-UHFFFAOYSA-N	357.679	4.789	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(Cl)cc1C	767340892	IUAUBSBLIXTXHH-DHDCSXOGSA-N	370.836	4.560	50	20	FJGD	
CC(C)c1ccc(-c2noc(COC(=O)/C(C#N)=C/c3ccccc3)n2)cc1	785352666	YCMUPYYWJMYGSE-XDHOZWIPSA-N	373.412	4.510	50	20	FJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)c1ccc(Cl)nc1	786040119	KYFMBMZYLLAIJG-UHFFFAOYSA-N	368.289	4.653	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1ccccc1Cl)=C\c1cccc([N+](=O)[O-])c1	787167897	GXLKQLCJILYSSG-IJYCUAFPSA-N	367.792	4.740	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cscc1C(F)(F)F)c1ccccc1	811628443	XZTWBPMEIHSMFD-OIQJVACTSA-N	364.392	4.941	50	20	FJGD	
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812241286	BPXTZYSLIYEIEX-LDADJPATSA-N	357.369	4.730	50	20	FJGD	
C#CCCN(CCOC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	822613951	WQLVOFAOTIUIHG-UHFFFAOYSA-N	372.359	4.848	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)c1ccccc1	917030586	HYZCIHUMJYOOKV-LGMDPLHJSA-N	355.422	4.853	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(/C=C/c2cc(C(=O)O)ncn2)c1	1776270419	YHWLUGYWSIKHKY-MDZDMXLPSA-N	356.498	4.729	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OC	7157918	PSYYHLOIPXINNO-OVCLIPMQSA-N	370.836	4.520	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cccnc3Cl)c(F)c2)cc1	85682101	ZZAJOYRHCSXNPB-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2ccccn2)ccc1Cl	178854594	MHCARJCUEQNQPN-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	210008533	ZUVUVEWUKISDIE-KMKOMSMNSA-N	353.155	4.817	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1	726118318	LRMQYGSUZYRDCF-SFQUDFHCSA-N	351.402	4.645	50	20	FJGD	
CCc1ccc(C(C)=NNC(=O)Cc2nc(-c3ccccc3)cs2)s1	730573087	ZIMIWBXVEWNHKJ-UHFFFAOYSA-N	369.515	4.517	50	20	FJGD	
CN(N=Cc1cccc(OCCCc2ccccc2)c1)C(=O)OC(C)(C)C	731925758	VARKHUAURDDFGZ-UHFFFAOYSA-N	368.477	4.899	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)c1	748382785	ZWFSPXCWRKOXNA-UHFFFAOYSA-N	371.484	4.623	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Oc2ccc(F)cc2)cc1	748766949	HHEHWXYIYPEUJB-UHFFFAOYSA-N	373.387	4.923	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCOc1ccccc1Cl	752364015	BPQLYPYOBWWWNE-ZDUSSCGKSA-N	359.944	4.549	50	20	FJGD	
O=C(NC[C@@H](O)c1ccco1)Nc1cccc(S(F)(F)(F)(F)F)c1	762967893	DSVIXOQCQSJMGN-LLVKDONJSA-N	372.315	4.792	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc2oc(C(F)(F)F)nc2c1	775587132	ZPXDJQBZZAWYSW-UHFFFAOYSA-N	370.718	4.649	50	20	FJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1ccc(OC(F)F)cc1	776259043	YPNOOCZMMCPNAB-RVDMUPIBSA-N	350.324	4.626	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cccc(Br)c2OC(F)F)n1	776725384	LFZNJCHPOQJSIG-BJMVGYQFSA-N	371.206	4.880	50	20	FJGD	
C=CC[C@H](CC)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	798467910	JUSKCQWQOSBMSP-JTQLQIEISA-N	365.389	4.977	50	20	FJGD	
Cn1c(C(C)(C)NCc2ccc(OCCCCl)cc2)nc2ccccc21	811489602	FZFSXWCKSGSATK-UHFFFAOYSA-N	371.912	4.606	50	20	FJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC4(CCCC4)CC3)sc2n1	811636977	RLLBNZQDMQBDKM-UHFFFAOYSA-N	370.522	4.716	50	20	FJGD	
C[C@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	817312220	WWMVOEFFVCXDBZ-WDEREUQCSA-N	374.375	4.826	50	20	FJGD	
COc1sc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1Br	843265236	LSWVZTYRZHMCOC-WTKPLQERSA-N	367.293	4.917	50	20	FJGD	
Cc1c(NC(=O)NNc2ccc(F)cc2)cccc1NC(=O)OC(C)(C)C	861395959	OOFHAAPLMIXVBC-UHFFFAOYSA-N	374.416	4.630	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2OC)CC1	1776779102	RQZRQHAVBDGHLL-UNOMPAQXSA-N	369.461	4.866	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(Cl)cc2)cc1OC	120361726	FRYLLZGPXZRVNB-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
N#C/C(=C/C1=Cc2cc(Br)ccc2OC1)C(=O)c1ccsc1	141576998	BGYSNYABRKUAPS-NSIKDUERSA-N	372.243	4.619	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1O	211538262	WUTAOJVXZYHGRR-NVNXTCNLSA-N	370.836	4.607	50	20	FJGD	
C[C@H](CCNC(=O)NNc1ccccc1)c1cccc(C(F)(F)F)c1	746423424	ZLWQYWXLPOVZKT-CYBMUJFWSA-N	351.372	4.525	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(Cc3ccccc3)c2C)cc1	764884643	GPUCAIQWVADFKB-BKUYFWCQSA-N	355.441	4.647	50	20	FJGD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)NNC(=O)OC(C)(C)C	765161098	QEXGAEGTNJZWCS-UHFFFAOYSA-N	373.478	4.707	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143886	GCMDOCJOVFRDGM-POHAHGRESA-N	355.237	4.913	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(F)c2ccccc12	795190887	BHZKDPCSTKDSGT-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1	797406302	RXIFVFJPBAPNOL-JYRVWZFOSA-N	360.364	4.720	50	20	FJGD	
CCc1oc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cc1C(=O)OC	800791249	JVFBSCSVUCBAPM-MDWZMJQESA-N	365.410	4.633	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC=CCC1	817013287	GAHPDBKLWBZHSJ-VIFPVBQESA-N	352.278	4.524	50	20	FJGD	
O=S(=O)(CCCCF)Nc1cccc(S(F)(F)(F)(F)F)c1	829910725	KXQNBYSERTZWHK-UHFFFAOYSA-N	357.341	4.835	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1OC(=O)CC	840717387	UOVKJYRFJZXVJU-DHDCSXOGSA-N	356.447	4.538	50	20	FJGD	
C=CCOc1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	914037133	CVUBFVAUXVSZOA-UHFFFAOYSA-N	371.651	4.969	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccsc3)o2)cc1	915989460	HFNNOURDQZPOMH-YBEGLDIGSA-N	363.394	4.585	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc2ccc(C(F)(F)F)cc2[nH]1	1341586042	FWGLCYQEHASMNY-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)n1CC(F)(F)F	7212127	UWMZNKBOBRJCFY-RIYZIHGNSA-N	350.315	4.596	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)o1	16881863	MLUZYQOHTNMYFY-XYOKQWHBSA-N	369.833	4.911	50	20	FJGD	
CCN(Cc1ccc(OC)cc1)C(=O)CCCC[C@@H]1CCSS1	45398593	KEYGGGVAZLARFP-QGZVFWFLSA-N	353.553	4.758	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2csc([N+](=O)[O-])c2)cc1	59404835	KXYJTLJGKIFFTG-OQLLNIDSSA-N	355.419	4.545	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1	103348710	TYOTVMIWKGHKLQ-GDNBJRDFSA-N	362.820	4.584	50	20	FJGD	
Cc1ccc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1	127999454	FOYQFOJOIHNGHD-UHFFFAOYSA-N	368.868	4.714	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccsc1	255640559	VADGQXLCMGACMH-ZROIWOOFSA-N	350.355	4.706	50	20	FJGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	731836006	YVXAYQRWKYCKSZ-GXDHUFHOSA-N	367.330	4.799	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c1	732925829	GCTYTKYATMMXJJ-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	740763741	HLOXJIHDEIEBFI-SDNWHVSQSA-N	367.330	4.799	50	20	FJGD	
CCCCCCCC(C)=NNC(=O)c1cc(Br)ccc1O	741768349	ABLAPJQBUGJTNL-UHFFFAOYSA-N	355.276	4.621	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1	743764079	JPLAMDHSWLTUIW-UHFFFAOYSA-N	369.465	4.716	50	20	FJGD	
CC[C@H](C(=O)NNc1cc(C)ccc1F)c1cccc(C(F)(F)F)c1	760134157	ROEGKIPKJPBMHE-AWEZNQCLSA-N	354.347	4.790	50	20	FJGD	
N#CC1=CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1	767160771	XJVLWTTXELQQIY-UHFFFAOYSA-N	371.465	4.773	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(SC(C)(C)C)cc1	770362593	YGGSQVNRBPLELN-UHFFFAOYSA-N	359.499	4.639	50	20	FJGD	
C/C(=C\C(=O)NNc1c(C)cccc1F)c1ccc(C(F)(F)F)cc1	771707209	LLLMNIRTQOZERX-ZRDIBKRKSA-N	352.331	4.700	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1ccc(F)c(Cl)c1	774134621	LIKJMCJVQQHJFJ-WZUFQYTHSA-N	365.147	4.831	50	20	FJGD	
C=CC[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	779368080	HIXHPFBZKCHXNS-INIZCTEOSA-N	351.837	4.691	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cnc1Cl	780529435	XPQBVXRNMWLEEU-MLPAPPSSSA-N	350.727	4.852	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)cccc2Br)s1	794875621	SIDYBNHVIKNMND-JXMROGBWSA-N	350.212	4.748	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(-c2ccnn2C)c1	801647716	IEURVVWURFVVHM-QGOAFFKASA-N	367.412	4.510	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(O)cc(C(F)(F)F)c2)c(C)c1	811626885	OYNWCCMQMAGTEX-NSIKDUERSA-N	360.335	4.574	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cn1	812245683	VVJHORQYISFFCJ-KPKJPENVSA-N	368.805	4.831	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@H](n3cccn3)C2)cc1	812876365	LMDWTWBELJKNMF-FQEVSTJZSA-N	371.601	4.852	50	20	FJGD	
CC(CCCc1cccnc1)=NNC(=O)c1cc2c(s1)CCCCC2	834936388	WGQJVCTZBOJZNS-UHFFFAOYSA-N	355.507	4.541	50	20	FJGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)c1cccc2ccccc12	834961287	FAEOEPUGJCSOQM-UHFFFAOYSA-N	350.462	4.827	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1Cl	857488772	MRRFXBNQEINYFA-UHFFFAOYSA-N	371.790	4.808	50	20	FJGD	
Cc1ccncc1CC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	857574236	FMJVFMADBXSLGT-OAHLLOKOSA-N	374.815	4.791	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1noc(-c2ccsc2)n1	897305552	XGHNWHJAQKVBTA-LBPRGKRZSA-N	370.521	4.555	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCO[C@H](C(C)C)C1	901850408	LXSKAPHJTQEBAW-WMZOPIPTSA-N	360.523	4.774	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)n1	920388280	VGEOSHFGOXCBGK-XNTDXEJSSA-N	364.426	4.952	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3cccc(C(F)(F)F)c3)ccc2c1	1115981672	LZDMYDKPQOPAGK-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3ccccc3)c2c1	1506769	MOSXPTAHCNWHNC-UHFFFAOYSA-N	353.425	4.967	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1	11292899	RAQCMEXCBUXGJC-ACCUITESSA-N	356.403	4.574	50	20	FJGD	
Cc1cccc(C(=O)NNc2ccc(Br)cc2Cl)c1Cl	123670150	MQTHUJNPBBANQM-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)sc1-c1ccc(F)cc1	178847407	HPWGIULLKZZHRE-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
Cc1oc(-c2cccs2)nc1CC(=O)NNc1ccc(C(C)(C)C)cc1	181129190	HVYRZIWJUOUJQT-UHFFFAOYSA-N	369.490	4.695	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1	255579005	IHALMGYMXXHOLA-WQLSENKSSA-N	370.817	4.907	50	20	FJGD	
Cc1c(C[S@](C)=O)cccc1NC(=O)CCCC[C@H]1CCSS1	265310147	DYNPUNLHWHZADA-WNSKOXEYSA-N	371.593	4.526	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ncc(-c2ccccc2)s1	726871467	SUPPANUXAIFIKP-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(OCc2ccccc2)cc1	728696545	VUFWFTRIOCYJNE-IZZDOVSWSA-N	366.848	4.597	50	20	FJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1ccc(OC(F)F)cc1	748650630	PYGBCLVAEYDDHZ-JTQLQIEISA-N	372.824	4.565	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCCOc2ccccc21	749864338	VXTYQGCGJUUBBN-GDBMZVCRSA-N	351.537	4.731	50	20	FJGD	
O=C(NNc1ccccn1)c1cc(F)ccc1Sc1ccc(Cl)cc1	760023975	CHLRXXFCXUHYIP-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3c(Cl)cccc3Cl)c(C)c2c1	763610654	JPVHUTIQJFXELZ-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Br)c1)C(=O)c1cc(F)cc(F)c1	772178993	MHOROSCPDUORQS-JYOAFUTRSA-N	366.136	4.656	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)c1ccccc1OC(F)F	776720989	VWMHNGICEHKCPL-WZUFQYTHSA-N	351.711	4.870	50	20	FJGD	
Cc1cccc(NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1C	778233560	LXYGPLNJPQSILD-UHFFFAOYSA-N	374.444	4.829	50	20	FJGD	
C=CCC[C@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779200587	JUILGCXEKDWUHV-HNNXBMFYSA-N	364.367	4.778	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1ccc2ccccc2c1)C1CC1	787164785	ONRHWGZGEUGNIT-BKUYFWCQSA-N	368.436	4.644	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1Cl	787279039	ZKBSHRNQRLOWNR-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(Cl)nc3cc(Cl)ccn23)cc1	794715636	ZDMBLOJCKKZSQR-JYRVWZFOSA-N	356.212	4.739	50	20	FJGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2cc3ccccc3cc2O)C1	799104182	MYRZUPVCPDAVSW-SFHVURJKSA-N	373.456	4.692	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)C(=O)c1ccc(F)cc1	799891009	HOBJAIXJIFMABZ-JXMROGBWSA-N	366.136	4.656	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@@H]1N	841190453	PBNPOWMNWKDCAS-CABZTGNLSA-N	359.364	4.545	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc(Cl)c1Cl	913187800	BPCSBDNRGIOTCM-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2cc(F)ccc12	917621008	FOOQMKQYPXORCW-GHXNOFRVSA-N	374.293	4.995	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc(Cl)c1O	918713333	IMZPVMNTBZEYGL-LZYBPNLTSA-N	355.821	4.851	50	20	FJGD	
O=S(=O)(NC/C=C\C1CC1)c1cccc(S(F)(F)(F)(F)F)c1	1117746005	OHXXYKNBZNUYRK-IHWYPQMZSA-N	363.373	4.589	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3)cn2)cc1Cl	1325162040	SWDJKJDGRZQGJN-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC[C@@H](CC2CC2)C(=O)O)c1	1776269079	GIUWHBBQGRQPDT-QGZVFWFLSA-N	363.574	4.661	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	39486059	IRQHMTDFGYOUGL-GDNBJRDFSA-N	370.836	4.601	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccccc2C)cc1OCC	120302955	CRPLXQVUUBVXFX-UHFFFAOYSA-N	362.857	4.593	50	20	FJGD	
Cc1ccc(-c2n[nH]c(NC(=O)CCCC[C@@H]3CCSS3)c2C)o1	161499245	VAPWVXBQLLNTHD-CYBMUJFWSA-N	365.524	4.939	50	20	FJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1sc2nc(C)cc(C)c2c1N	727253874	NDPSABXRHVLANI-ZDUSSCGKSA-N	358.511	4.571	50	20	FJGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	727776899	HHSHKARMRUYDKT-LLVKDONJSA-N	361.898	4.969	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H]1C[C@H]1c1ccc2ccccc2c1	731225780	PXELVGWGMHNXMX-GJZGRUSLSA-N	356.347	4.504	50	20	FJGD	
O=C(CC(c1ccccc1)c1ccccc1)NNc1cc(F)c(F)cc1F	734551628	JGDJSPVYIZJEKQ-UHFFFAOYSA-N	370.374	4.769	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)ccc1OC(F)F	735616732	IGGHSXGVOWKIRC-JYRVWZFOSA-N	355.344	4.546	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(OC(F)F)c1	735619121	ICLCVAUMNGPVLQ-MDWZMJQESA-N	355.344	4.546	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1C[C@@H]1c1cccc2ccccc12	746702214	QMWICUFEKNTXOY-HZPDHXFCSA-N	356.347	4.504	50	20	FJGD	
Cc1nc(Cl)cc(NNC(=O)c2cc(-c3ccccc3)ccc2Cl)n1	748339048	NTMJJHBIRRPBSL-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(Br)c1	753683094	MGCAOROVNSSIMN-MHWRWJLKSA-N	369.262	4.920	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)ncn1	773174427	VNZBGDSWIXAOOG-AUWJEWJLSA-N	350.472	4.695	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)C1CCCC1	777468728	XAMGBBSNNRRNEW-MFOYZWKCSA-N	373.378	4.616	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(Oc3ccccc3)o2)n1	779703480	IBRABXIZJSDJDY-RAXLEYEMSA-N	366.398	4.769	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(Cl)c(C)c1	779704491	PYVRPGCQSYVGBN-OQLLNIDSSA-N	370.836	4.560	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1	788969167	ZYTQLIUGJHONLH-NSHDSACASA-N	366.408	4.775	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccccc1NC1CCCCC1	795101407	KWIWSTWVEWBGTA-UHFFFAOYSA-N	366.490	4.798	50	20	FJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2c(C)cccc2CC)cc1	799759516	QCPHVOVTDUPLSK-UHFFFAOYSA-N	353.510	4.546	50	20	FJGD	
COc1ccc(NNC(=O)Cc2ccc3ccccc3c2)c(C(F)(F)F)c1	816703367	BIBWIHFFPRSJJU-UHFFFAOYSA-N	374.362	4.553	50	20	FJGD	
O=C(NC[C@@H](CO)CC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	822613901	VMIIDHPVFXDCHP-NSHDSACASA-N	374.375	4.874	50	20	FJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2c(C)cccc2Cl)c1C	836334071	JXPHJANZBDFPTD-UHFFFAOYSA-N	374.872	4.844	50	20	FJGD	
C[C@@]1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCNC1	841179163	KKYUSDCJQBCPHG-CQSZACIVSA-N	373.391	4.855	50	20	FJGD	
CCCOc1c(Cl)cc(C=NNC(=O)c2ccccc2C)cc1OCC	916360899	JMWSKFACFVLKTR-UHFFFAOYSA-N	374.868	4.600	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cnc(-c3ccccc3)nc2)cc1	917145014	NPXAJVTZPXWMRR-BKUYFWCQSA-N	353.425	4.886	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Cl)c(Br)c2)cc1Cl	1116368171	HLNIOUIQRNCDDK-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)c1cccc(F)c1	1116817181	QDKLSRLCPSJQSS-WJDWOHSUSA-N	361.328	4.574	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2)c(C)c1	59133359	LSRRNEBDVBAWHK-DHDCSXOGSA-N	355.235	4.612	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(OC(F)F)cc2)oc2ccc(Cl)cc12	122628744	PPPGTMNPYZXLQM-UHFFFAOYSA-N	366.751	4.753	50	20	FJGD	
CN(C[C@H]1CCOC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184412134	AGQGHTMYMLYSLV-SNVBAGLBSA-N	360.348	4.844	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)c1nc(-c2ccncc2)cs1	195295592	SZVVXMQJKJYVPA-RIYZIHGNSA-N	355.369	4.871	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)cc1Cl	206952768	VTNHURDTSQIFPN-GDNBJRDFSA-N	370.836	4.681	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1OC	207930890	FHWMZBKTWPPLIV-PDGQHHTCSA-N	365.429	4.673	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	211478085	UUGHBOOVPLZPNY-HKWRFOASSA-N	359.473	4.839	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1OC	212179870	NDMIGVKYKDACKJ-BOPFTXTBSA-N	361.401	4.517	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2F)o1	301819311	QWBPRHTZZZMYRA-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)[C@H](C)CC)o2)cc1	726429635	MMCVLDLELZFDHS-MTOJCTJASA-N	351.402	4.645	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	728786192	UMKRGFVJHXILQU-WOJGMQOQSA-N	356.429	4.548	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)c1nc3cc(F)ccc3s1)O[C@@H](C)C2	730148034	ASKPCVPIHVBJFB-REPOHMLUSA-N	366.417	4.832	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c(C)c1	743761836	PYYYFYGPBQKOTO-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
C[C@@H]1C[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1C	752981424	SDXARKUCWFQVCU-ZYHUDNBSSA-N	373.391	4.948	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(Oc2ccccn2)c1	771158472	LEHWMXQVZJONTP-UHFFFAOYSA-N	372.787	4.815	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)c(C(F)(F)F)o1	771421731	CFYIBTQHFJYMLS-UHFFFAOYSA-N	353.127	4.671	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1	771522345	ZMHMYSMACPNJER-NTEUORMPSA-N	357.251	4.910	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)ncn1	773171119	HDCGYHNDLIRKBJ-WMZJFQQLSA-N	353.781	4.517	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cc(Cl)ccc2Br)ncn1	773176579	ODJMLMQWMUKZFS-WMZJFQQLSA-N	366.671	4.679	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)c1ccccc1OC(F)F	775639213	MIUWVLWFSJOHEF-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1ccc(Br)s1	780005010	QUUHHMPHWSPIEO-ZSOIEALJSA-N	369.243	4.849	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=C1CCC[C@@H](C(F)(F)F)C1	783509850	RKDZCROTASXENX-LLVKDONJSA-N	362.392	4.533	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(Br)cc1)c1c[nH]c2ccccc12	787454850	GUQRMZAFYOFWJC-GFCCVEGCSA-N	372.266	4.567	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(-c2ccc(F)cc2)cc1F	788180807	HDDARVZVDNRQPC-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	790803108	DNKMACULIHSOOW-UHFFFAOYSA-N	366.383	4.583	50	20	FJGD	
CCc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)cnn1C(CC)CC	790866062	IXNHLXXDRVSBAB-UHFFFAOYSA-N	356.514	4.861	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794965522	VLCLZXYDTDIKEF-ZAESSLRESA-N	369.380	4.879	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccccc1Oc1ccncc1	801175585	BMOXXRBZXKFBDD-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
COC(=O)Nc1cccc(NCc2ccc(OCCCCl)cc2)c1C	811501296	IWIMBFRSSNMEFG-UHFFFAOYSA-N	362.857	4.793	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2c(F)ccc(SCC3CC3)c2F)c1	827181041	SPRFMNHETBJACY-UHFFFAOYSA-N	362.445	4.841	50	20	FJGD	
Cc1cc(C(=O)NNc2c(C)cccc2Cl)ccc1NC(=O)CC(C)C	836933762	OURPSUXCDYQCBM-UHFFFAOYSA-N	373.884	4.698	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccsc2)c(C)n1C1CCCCC1	915285654	PNVVYKAILTUZHK-YBFXNURJSA-N	367.518	4.895	50	20	FJGD	
Cc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)c(Cl)c1Cl	1319775003	AQMAUHBZELVMOG-UHFFFAOYSA-N	360.672	4.606	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3ccncc3)o2)c(C)n1CCC(C)C	1345636563	MDGHUOWHEASRFS-UNOMPAQXSA-N	361.449	4.660	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H](C(=O)O)c2ccccc2)c1	1776269279	ZXHDEPJQVVCRCK-IBGZPJMESA-N	371.553	4.986	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1cccc2ccccc12	105395655	BTCYIEZUUMMCRW-UYRXBGFRSA-N	352.393	4.704	50	20	FJGD	
N#C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	113176575	KDRBVHYCMUPORN-HUUCEWRRSA-N	354.928	4.735	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(F)c3)sc2C)cc1	154980353	GAECRCUIUYFTJN-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1F	158653748	XMFFKKRFZPJTDS-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2cccc(C(F)(F)F)n2)cc1	740141958	YZRNKKSHDCRXEJ-CYBMUJFWSA-N	365.399	4.861	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1c[nH]c2cc(F)ccc12	741841413	BJYRTHHQSWZXQZ-QPEQYQDCSA-N	370.330	4.741	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc(C#N)c2)c(Sc2ccccc2)c1	752625988	CXCQWIRQRYHNHN-UHFFFAOYSA-N	359.454	4.775	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	764892278	VAVKPVXMHSHQAY-ATVHPVEESA-N	358.353	4.953	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)cc1Br)c1cccc(Cl)c1	769798176	QQVRTEVNYMWPSI-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cc2c(Cl)c(Cl)ccc2[nH]1	777467419	ZVKFNKDLALTQAR-UHFFFAOYSA-N	371.227	4.780	50	20	FJGD	
COc1ccc(C(=O)NNc2cccc(Cl)c2)c(OCCC(C)C)c1	790255854	VZLOTTCTUBHWOW-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
CCCN(N=C(C)c1nc2ccc(Cl)cc2n1C)C(=O)OC(C)(C)C	794998132	JAZITMWKDCSIGT-UHFFFAOYSA-N	364.877	4.598	50	20	FJGD	
CCn1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	806421930	GXPPMQJZSGWGPH-UHFFFAOYSA-N	370.347	4.882	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cn(Cc2ccccc2)c2ccccc12	808246822	MKDUOBXPQWVOMG-UHFFFAOYSA-N	361.272	4.565	50	20	FJGD	
CC(C)C(=O)Nc1ccc(CNCc2ccc(OCCCCl)cc2)cc1	811473345	WHIGUKGIKPRJDZ-UHFFFAOYSA-N	374.912	4.579	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H](C)c2c(Cl)cccc2Cl)cc1	817886059	VCMLSKWDUFYCBW-LLVKDONJSA-N	353.249	4.639	50	20	FJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@H](CO)c1ccc(Cl)cc1	836797601	VEWWJTZWPNWQBR-HZPDHXFCSA-N	373.971	4.546	50	20	FJGD	
Cc1noc(CN(C)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	847173447	JWCYXCWVTYXIDT-UHFFFAOYSA-N	372.319	4.699	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	921261317	DPLXVJNUTPDELP-QPEQYQDCSA-N	361.228	4.856	50	20	FJGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)N(C)C3CCCCC3)c(Cl)nc2c1	1318426830	GYHYMXPLBZGNAO-ATVHPVEESA-N	367.880	4.895	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3ccc(Cl)cc3Cl)ccc2c1	1319390181	VQFZUMRUZRYJGY-UHFFFAOYSA-N	361.228	4.912	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3ccccn3)o2)c(C)n1CCC(C)C	1322139969	IZBUBZSUICTPDI-PDGQHHTCSA-N	361.449	4.660	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccn1	7155290	XDASZDNUWQQKFE-FMIVXFBMSA-N	351.749	4.967	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CCC(C)(C)O3)c(C)c1	96310781	WHXALJYPCUAJDJ-CPNJWEJPSA-N	360.457	4.953	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1C	588597119	PSUFLOBBQJLJHP-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)c1nc2cc(F)ccc2s1	730151109	RDXWKEVLEGQCTL-YHYXMXQVSA-N	354.797	4.801	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)cc(C)c1OC(F)F	730829419	GCHIMTWALOAIIR-UHFFFAOYSA-N	374.309	4.681	50	20	FJGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1ccnc2cc(Cl)ccc12	731224064	RWJKJHFQSSZYQK-UHFFFAOYSA-N	374.897	4.609	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(c2cccc(F)c2)CC1	734312465	FSLHDUAFQAPISS-UHFFFAOYSA-N	373.642	4.961	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3nc4cccc(C)c4[nH]3)c2C)no1	735669355	IFEZVPWBRFETTH-YVLHZVERSA-N	357.417	4.639	50	20	FJGD	
CC[C@@H](CC(=O)NNC(=S)Nc1cccc(C)c1C)c1ccc(C)cc1	738507552	QXQOXBXINYLGHZ-KRWDZBQOSA-N	369.534	4.513	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1Cl	741472733	XHCYWVDDMNQXCS-DHDCSXOGSA-N	351.793	4.771	50	20	FJGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747604880	IWYKIOWEQUXGQS-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)c1ccoc1	752887532	KSASNADWASCIKO-XYOKQWHBSA-N	358.184	4.562	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccn1	765345240	QXJVTEWHRNPCMX-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1Br	765614219	SJYBPSRIGLRLDZ-BJMVGYQFSA-N	365.133	4.700	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cc(C(F)(F)F)ccc2F)ccc1[N+](=O)[O-]	774562166	RVZVOBBGCNUNFG-SDQBBNPISA-N	366.270	4.825	50	20	FJGD	
O=C(O)c1nc(/C=C\c2cccc(CCl)c2)sc1Br	806565250	LKVDONKGIMDEKB-PLNGDYQASA-N	358.644	4.513	50	20	FJGD	
CCOC1CC(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	808076967	NQKFOXIQKGWSDF-FDZGAKKTSA-N	367.820	4.660	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1c(F)cc(C(F)(F)F)cc1F	811140249	SXPRLBNGYGSXAI-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1	811477707	CUUICYUPSMYKOU-JOCHJYFZSA-N	366.892	4.969	50	20	FJGD	
Cc1ccc(NCC(=O)NN=Cc2c(Cl)ccc(Cl)c2Cl)cc1	818215258	DOYDWYWBFUOHEA-UHFFFAOYSA-N	370.667	4.517	50	20	FJGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNc1ccc(C(C)C)cc1	837055357	DOTJJWVCPDVTHJ-UHFFFAOYSA-N	355.463	4.521	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1	844337876	VPCLHTNRIGLLSM-SFHVURJKSA-N	366.622	4.573	50	20	FJGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1(C(F)(F)F)CCC1	846376740	DMGREJWYAOQTBZ-UHFFFAOYSA-N	360.685	4.535	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)cn3)c2c1	856092948	LWXYNCXPTCFNJU-UHFFFAOYSA-N	366.852	4.534	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/C=C1\N(C)c2ccccc2C1(C)C)c1ccccc1	915843229	GGROLTBLGNEFOD-PGEWKTRTSA-N	371.484	4.625	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	921261112	AUMJBHFKWZJVKE-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)s2)cc1	1317745433	HTLKXZQPKGVIJK-QGOAFFKASA-N	374.465	4.647	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2C)no1	8056308	BVZBZUNHWMFYSA-YBFXNURJSA-N	374.444	4.553	50	20	FJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)Nc1ccccc1F	17700031	PQEMOWLEWZIZAE-FMIVXFBMSA-N	366.339	4.983	50	20	FJGD	
COc1ccc(C(=O)NNc2ccnc3ccccc23)cc1-c1ccccc1	106924039	BQZUPCFVXSFINA-UHFFFAOYSA-N	369.424	4.667	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2nccn2CC(F)(F)F)CC1	125538160	BWAWROBKWBOJCQ-LFIBNONCSA-N	367.415	4.918	50	20	FJGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	127086829	FRKGMWRQTRBAFI-AUWJEWJLSA-N	357.196	4.686	50	20	FJGD	
CC(C)CC(=O)NCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191945768	GWTCZICFXXVEGL-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
CC[C@@H](CCO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261906	SWUNQCAFIRYGBH-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1	726119798	DMNQAOPQCPEDBU-ATVHPVEESA-N	363.417	4.885	50	20	FJGD	
COCCOc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730464700	GKCPCKIULQYBTG-GXDHUFHOSA-N	354.406	4.525	50	20	FJGD	
CCCCCOc1ccc([C@@H](C)NC(=O)NNc2ccccc2)cc1OC	734268128	JBTUIXPFPSCYDW-MRXNPFEDSA-N	371.481	4.652	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cnn(-c4ccc(Cl)cc4)c3)[nH]c12	735619783	QZKKGGHMPAVBSU-DHDCSXOGSA-N	359.820	4.775	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1	748400690	KALBVDKLMGKGRQ-UHFFFAOYSA-N	367.836	4.901	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	750800580	GQSFUTFKMZTTIY-QWTUVSAPSA-N	352.865	4.650	50	20	FJGD	
CC(C)(C)SCCCC(=O)NNc1ccnc2cc(Cl)ccc12	754449399	AJEDALYSOLCKSV-UHFFFAOYSA-N	351.903	4.643	50	20	FJGD	
CCOc1ccc2cc(C(=O)NNc3c(Cl)cccc3Cl)[nH]c2c1	763612382	KDMVQFCGUNTMIF-UHFFFAOYSA-N	364.232	4.630	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	782522707	FNAIFXMTKRMRCH-XLYVWGIVSA-N	358.363	4.643	50	20	FJGD	
CC(C)c1cccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)c1	782820249	BFSTXNRMLWZPSN-UHFFFAOYSA-N	373.456	4.618	50	20	FJGD	
COc1cc(NNC(=O)c2ccccc2Nc2ccccc2)ccc1Cl	790179113	JETUPEDFDGPTPL-UHFFFAOYSA-N	367.836	4.849	50	20	FJGD	
COc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)ccc1OC(C)C	791717091	GTQDYJJTLYLJTM-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H]1OCCc2sccc21	795150802	FJODPEKCEITFOP-DCGLDWPTSA-N	371.593	4.581	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccoc1	798229520	DQBUPQPSULMFAD-WJDWOHSUSA-N	371.421	4.984	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCCCl)cc2)cc1	811686629	YIQUNYNHRAAIFJ-LGMDPLHJSA-N	354.837	4.548	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCCc2cn(C(C)C)nc21	813139480	GPWZTZJKJBTYIH-SFHVURJKSA-N	369.513	4.600	50	20	FJGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccccc2Oc2ccccc2)CCO1	846462224	SYZJTYFRZLQGIB-IRXDYDNUSA-N	354.450	4.517	50	20	FJGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	915188204	JSKRBJSIONNBTQ-SNVBAGLBSA-N	373.667	4.695	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(N(C)CCC#N)cc2)cc1	915853771	WCKGGFACFFQVDI-PGMHBOJBSA-N	357.457	4.779	50	20	FJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1C	915989554	AKPRGGVRAUAFKL-YBEGLDIGSA-N	369.262	4.920	50	20	FJGD	
Cc1nc(-c2cccs2)c(CC(=O)Oc2ccc([N+](=O)[O-])c(C)c2)s1	917368093	JFVUDQLPMYDDGT-UHFFFAOYSA-N	374.443	4.545	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)c1	2274659	DTDWBMZDMFSCIB-ATVHPVEESA-N	358.397	4.809	50	20	FJGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	14177793	STCLMYMSBPGFJT-XMHGGMMESA-N	365.392	4.896	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(SCc3ccccc3)cc2)c1	152265693	PEPAEHSGPSUNAG-UHFFFAOYSA-N	359.454	4.607	50	20	FJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)c1cc(F)cc(F)c1	194535095	GFPZQMDFSUJYBD-OQFOIZHKSA-N	354.175	4.579	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	216027600	BRNVICJLYGFHGY-VBKFSLOCSA-N	368.408	4.559	50	20	FJGD	
CSc1ccc(Cl)c(C(=O)NNc2cccc(C(F)(F)F)c2)c1	301219003	WLHDCPPHSGQCIH-UHFFFAOYSA-N	360.788	4.838	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C	728286885	KKIRPFUBZLMPFS-RIYZIHGNSA-N	362.260	4.977	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ccc(C(F)F)cc1	739302170	OIISZCIWDXTIDE-UHFFFAOYSA-N	372.121	4.514	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H](C)c1ccc(Cl)s1	748748529	NIBUAQBEGJAEMR-VIFPVBQESA-N	373.703	4.719	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	750796643	XEDDDRYCIDSRKF-RMCWVSDRSA-N	366.280	4.753	50	20	FJGD	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3ccncn3)cc2[N+](=O)[O-])cc1	758912841	OLBLDMPNIJGLCU-MHWRWJLKSA-N	374.425	4.909	50	20	FJGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)C1CCC(F)(F)CC1	788704876	SAAHDCZKRMZBEM-UHFFFAOYSA-N	358.429	4.626	50	20	FJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2nccc3sccc23)c1	790719683	XNQAYHGYWUCCFX-CQSZACIVSA-N	369.490	4.722	50	20	FJGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1cc(Cl)cc(Cl)c1	791733094	HHUDMEYRNWALEW-NSHDSACASA-N	353.249	4.639	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	794945634	JCSFQPCSMLVBAZ-UITAMQMPSA-N	371.236	4.618	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c2c(c1)C[C@@H](C)O2	797406253	QVZJCFHREFPKMH-IWTIEGKHSA-N	354.475	4.837	50	20	FJGD	
O=C(/C=C\c1cccc(CCl)c1)c1nc(Br)ccc1F	799894116	NZLZKSVEHVSGGP-XQRVVYSFSA-N	354.606	4.618	50	20	FJGD	
C/C(N)=C(/C#N)c1nc(-c2cc(C)n(-c3cccc(F)c3)c2C)cs1	806553065	GBPHHHXBOWIWDZ-SFQUDFHCSA-N	352.438	4.570	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1C(F)(F)F)C(=O)c1ccoc1	806557223	OXXUWSHTCNHIHE-VZUCSPMQSA-N	370.124	4.851	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ncccc1CSC	812861386	SQWKTIBWZAAJMP-UHFFFAOYSA-N	371.531	4.895	50	20	FJGD	
COc1ccc(-c2nnc(SC/C=C\C#N)n2C2CCCCC2)cc1	839994790	GLADGYPMYQDGDB-WAYWQWQTSA-N	354.479	4.631	50	20	FJGD	
CC(C)[C@@](C)(CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178730	HLPYDXNSLAYCQH-CYBMUJFWSA-N	361.380	4.839	50	20	FJGD	
C[C@@]1(CN)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841180239	YSJBOLUSTPDIOJ-ZDUSSCGKSA-N	359.364	4.547	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cnc2ccccc2c1C(F)(F)F	879296323	QPVZDVXWLNQCNA-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccsc1	915990264	XTXYFTOOHAIDMM-MDWZMJQESA-N	371.824	4.825	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	917039986	ODFXXENFAIQZEC-MFOYZWKCSA-N	374.396	4.514	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC3CCCC3)c2)cc1	917517029	JRTPMLASYBGLMT-GHRIWEEISA-N	362.429	4.562	50	20	FJGD	
Cc1occc1CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	919855235	LWPLKOSDWHLNTQ-NDENLUEZSA-N	365.477	4.735	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2ccccc2)cc1	121603792	OUEBVPBRLKGJNL-UHFFFAOYSA-N	354.356	4.712	50	20	FJGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(Cl)c(F)c1	175422684	CJJVIVYEBZTXRB-UHFFFAOYSA-N	373.815	4.600	50	20	FJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1cccc2cnccc12	178498964	SNXSHAZAXPBPCW-GFCCVEGCSA-N	357.866	4.512	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(C)C)c2)cc1Cl	303092559	ZXIIIBGVGWQZLM-OQLLNIDSSA-N	370.836	4.681	50	20	FJGD	
CCCCC/C(C=NNC(=O)Cc1nc(C)cs1)=C\c1ccccc1	725857117	CKWVMSVKWIMCFA-JCGKYXHSSA-N	355.507	4.760	50	20	FJGD	
C=CC[C@H](C)C(C)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	727776763	FKWZIWZOPMABEF-ZDUSSCGKSA-N	366.490	4.713	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cnn(-c3ccc(F)cc3)c2)cc1	728175896	JHDHSNNNCZCVMC-UNOMPAQXSA-N	359.404	4.754	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCCO2)c1nc2cc(F)ccc2s1	730149332	VPWFJNVMKACVGF-LCYFTJDESA-N	352.390	4.661	50	20	FJGD	
CC[C@H](C(=O)NNC(=O)c1cc2c(Cl)cccc2s1)c1ccccc1	731999481	VCPZVLCQVDRSGZ-ZDUSSCGKSA-N	372.877	4.510	50	20	FJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ccc(F)c(F)c2F)cc1	738526785	PCASEAITQOHFKJ-LBPRGKRZSA-N	350.384	4.864	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc3cc(C)c(C)cc3o2)n1	749806308	AVSHRFISQQXRDU-RIYZIHGNSA-N	352.415	4.747	50	20	FJGD	
COc1c(Cl)cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1Cl	751875122	LVNCSHGFEQWMDV-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
Cc1ccc([C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1[N+](=O)[O-]	752056275	UFIGIBUIGUDAKF-UKRRQHHQSA-N	368.524	4.795	50	20	FJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1cccc(C#N)c1	755564159	FAERJLQEMVXTOH-UHFFFAOYSA-N	359.882	4.861	50	20	FJGD	
CCc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)cnn1CCC(C)C	757596001	WQDZDMHZNLAPGE-UHFFFAOYSA-N	356.514	4.546	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccccc1NCc1ccccc1Cl	765005016	SSMBMJBBXKVGIY-UHFFFAOYSA-N	369.827	4.848	50	20	FJGD	
C[C@@H](CBr)COC(=O)c1csc(-c2ccc(Cl)cc2)n1	770331578	VQHXFHVYGAWZPD-VIFPVBQESA-N	374.687	4.651	50	20	FJGD	
Cc1cc2occ(C(=O)NNc3cccc(Br)c3)c2cc1C	771424551	VUSSPZMIVQMSJH-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
C=CCSc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	779210618	DJZFTIBBMHVJJB-UHFFFAOYSA-N	368.380	4.620	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2cnn(Cc3ccccc3)c2Cl)sc1C	789142297	KOGSXRHFWTVRDB-NVNXTCNLSA-N	354.866	4.722	50	20	FJGD	
CO[C@H]1CCOc2c(NCc3ccc(OCCCCl)cc3)cccc21	811498423	USPYLSGGJXKICJ-IBGZPJMESA-N	361.869	4.776	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1Cl	916273545	JMCPFEGJILFAMO-UHFFFAOYSA-N	373.692	4.889	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1OCCC	916549008	NTMVNEKCEWWRSZ-UHFFFAOYSA-N	356.466	4.638	50	20	FJGD	
CCCn1cccc1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	918184400	JQVYAGQNJQEGMX-UVTDQMKNSA-N	369.273	4.543	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(-c4cnn(C)c4)cc3)n2)cc1	1339670895	SRVRPUFCZJWCCG-YBFXNURJSA-N	367.412	4.510	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(Cl)c1O	7157916	MNMKMGJIQNWTKE-OVCLIPMQSA-N	370.836	4.607	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1	33767869	SHHLXVUNCXHXSY-KAMYIIQDSA-N	360.335	4.650	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3c[nH]nc3C(C)(C)C)n2)cc1	66407907	ARZHQIOQQLHJCM-ZROIWOOFSA-N	364.474	4.903	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccncc1F	124572323	ZXNQZNVELWLGLV-ZDUSSCGKSA-N	364.751	4.692	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnc4c(C)cccn34)n2)cc1	125349445	PILKLLOAOUUQRE-YBEGLDIGSA-N	372.453	4.839	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2SCC=C(C)C)c1	157523427	LKAMWMGSPPAPSF-UHFFFAOYSA-N	360.454	4.650	50	20	FJGD	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	180353978	UMGDBDNKHFLWHF-UONOGXRCSA-N	350.509	4.630	50	20	FJGD	
Cc1cnn(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	186061809	IBGSOWYPJULXKU-UHFFFAOYSA-N	355.332	4.878	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl	727264620	XATAHWZFURWKTA-WJDWOHSUSA-N	352.821	4.759	50	20	FJGD	
CC[C@@H](CC(=O)NNc1ccc(Br)cc1)c1ccc(C)cc1	738507506	PYHFDITWMSBMSH-AWEZNQCLSA-N	361.283	4.785	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2Cl)oc2ccc(F)cc12	748017716	NQHDYFIZFRISAM-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccccc1Oc1cccnc1	748018439	BXRIPDUHXXEUGZ-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CC(C)C[C@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	748807960	VZNDVCMTGDWQBL-HXUWFJFHSA-N	355.462	4.511	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)C(=O)Nc1nccs1	750896686	RDSQCKBOHTZEJW-FMIVXFBMSA-N	355.419	4.556	50	20	FJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)NCc1ccc(F)c(F)c1	761386213	OIGHQJWIKWLQBQ-RUDMXATFSA-N	373.211	4.556	50	20	FJGD	
CC[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1	764451464	ZOORMPGFZMVRFX-HNNXBMFYSA-N	357.816	4.664	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(COC)cc2)c1C	767212858	SFIVRXAVBWLSGD-DEDYPNTBSA-N	365.477	4.597	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	773172329	QLYRIOSQPHXXPR-WXCNVJDQSA-N	354.312	4.609	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	776724958	AVGZXECPFASCRV-YRNVUSSQSA-N	358.182	4.573	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2CC	786043250	VDXDMHRDCOSEDI-VBKFSLOCSA-N	352.459	4.504	50	20	FJGD	
COc1ccc2[nH]c(NC(=O)CCCC[C@H]3CCSS3)cc2c1	788172667	LNIIHFPGQGAHLA-AWEZNQCLSA-N	350.509	4.829	50	20	FJGD	
Cc1ccccc1-n1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)nn1	806570532	CFUOXBJXLDVNGB-BOPFTXTBSA-N	369.453	4.763	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)cc(Cl)c1Br	807120358	HILAIJUSFAALGU-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(OC)cc2)cc1	810202902	SVZQTPIZPVQWPV-UYRXBGFRSA-N	371.440	4.828	50	20	FJGD	
CC(=O)Nc1cccc(NC(=O)NNc2c(C)cccc2C(C)C)c1C	812919177	PHRNOZHFPXDLSS-UHFFFAOYSA-N	354.454	4.534	50	20	FJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)NNc2c(C)cccc2C(C)C)c1	812922178	CEMFMXLRAVFZMB-UHFFFAOYSA-N	368.481	4.924	50	20	FJGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1cccc2ccccc12	814222575	BKSCGMHOOUGNCP-CSCCGMLYSA-N	358.441	4.805	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2cccs2)c1C	914275899	GFUPREPEAJJZHI-BIRYMOPTSA-N	367.518	4.847	50	20	FJGD	
CC(CCc1ccccc1)=NNC(=O)c1ccc(COc2ccccc2)o1	916359813	ASZIBEORMPDQDA-UHFFFAOYSA-N	362.429	4.597	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C#N)c(C)n1-c1cccc2ccccc12	5280675	VIWYMSHSNNKYHP-DORSJAEJSA-N	369.424	4.610	50	20	FJGD	
O=C(NNc1cccc2cnccc12)C1c2ccccc2Oc2ccccc21	178516081	IZIXFWJSHGLVMQ-UHFFFAOYSA-N	367.408	4.616	50	20	FJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)c2ccccn2)cs1	193681286	VTGDCPPAIFBFOX-LFIBNONCSA-N	360.442	4.595	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(CC)c2C)cc1	727976242	OIJFVDCRTAMGLU-HIXWQLQUSA-N	350.466	4.579	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)c1	742350226	UEGSHSQUSNCICK-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(Cl)ccc2Cl)cc1	744491527	PIEHRVIIRIUOGU-JYRVWZFOSA-N	362.212	4.652	50	20	FJGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1cc(Cl)ccc1Cl	748513261	ZMMPZYGYEOGLEF-CSKARUKUSA-N	358.228	4.698	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1ccccc1F	757918235	ANFBTHFQYIGBDM-KPKJPENVSA-N	367.273	4.696	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl	761392894	QDUQCZONMAHWTK-ZSOIEALJSA-N	353.784	4.513	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(Br)cc2c1OCC2	764883572	AGZUQXGTSBKSRA-MLPAPPSSSA-N	374.259	4.544	50	20	FJGD	
Cc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc2n[nH]cc12	767131137	JWZOANNXXZWUIO-UHFFFAOYSA-N	371.444	4.615	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1Cl	775639059	KUNRMMZWJVYQOS-XYOKQWHBSA-N	363.747	4.740	50	20	FJGD	
COc1cccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)n1	790976014	ADSZVXYMGDWEBQ-AWEZNQCLSA-N	362.804	4.922	50	20	FJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cc(Cl)cc(Cl)c2)c1C(C)C	791727897	YYWFAMGOBWFJIZ-UHFFFAOYSA-N	368.264	4.713	50	20	FJGD	
CN(C)C[C@@H]1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	792866102	FLUMEWZOUPDZEP-FQEVSTJZSA-N	362.634	4.592	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(-c2ccnn2C)c1	801647453	KEHOKLZGXYKHRH-UYRXBGFRSA-N	370.456	4.558	50	20	FJGD	
CCOC(=O)[C@H]1C/C(=C\c2cccc(CCl)c2)C(=O)c2ccccc21	802710575	ZNTIEFFIEWZGBX-SKTWIKFTSA-N	354.833	4.742	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1nccnc1C1CCC1	805463633	XYQMHUAXGKLTJW-UHFFFAOYSA-N	368.506	4.559	50	20	FJGD	
Fc1cc(F)c(F)c(CNCc2ccc(OCCCCl)cc2)c1F	811484166	WFHWFWCYYAZOOF-UHFFFAOYSA-N	361.766	4.541	50	20	FJGD	
C#CC1CCC(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)CC1	853278968	KIZMZAUGKJYBJO-UHFFFAOYSA-N	371.893	4.560	50	20	FJGD	
O=C(NN=C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F	853314683	SLFWAVHMIIMQCO-UWVGGRQHSA-N	350.743	4.563	50	20	FJGD	
Cn1cnnc1[C@@H]1CCCN1Cc1cccc(S(F)(F)(F)(F)F)c1	892148930	RKZSQNFYRVIAMZ-ZDUSSCGKSA-N	368.375	4.810	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C(C)C)c1C	917672687	NEYJERWMXCZUDV-YVLHZVERSA-N	369.431	4.611	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C(=O)O)c(Cl)s2)c(C)c1	1776122464	YCDLMVHYKLJQFY-SDQBBNPISA-N	374.849	4.571	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1C1CCCCC1	6188700	XZDPTEJKUBPDTE-PDGQHHTCSA-N	367.518	4.895	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1	57547990	OEYIWINGJCNPEH-GDNBJRDFSA-N	365.458	4.867	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ncccc2C(F)(F)F)c(C)c1	119558211	YNAQOMAOXNHZKX-NTEUORMPSA-N	359.351	4.571	50	20	FJGD	
CC(=O)Nc1ccc(Cl)c(NC(=O)CCCC[C@@H]2CCSS2)c1	119788785	JPQFDRJWPVPUGI-CYBMUJFWSA-N	372.943	4.951	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	179607715	RGKLESIFTWDCNM-KPKJPENVSA-N	374.755	4.576	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)ccc1OC	730149530	AIPWGTRXXUCPMI-MDWZMJQESA-N	354.406	4.907	50	20	FJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	730574698	YKFIQBYTKMUMRH-OJLMPMFISA-N	361.850	4.554	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)c2cccs2)c(C)n1CC(C)C	735017747	MPPKNRBCLWWBEC-WQRHYEAKSA-N	369.534	4.781	50	20	FJGD	
CCc1ccccc1OCC(=O)NN=Cc1sc2ccccc2c1Cl	744728776	FGMTZRICIUTMNK-UHFFFAOYSA-N	372.877	4.646	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1	748045248	DYMFIXRDDDHZOI-UHFFFAOYSA-N	353.834	4.697	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)C(=O)NCc1ccccc1	750901578	UIRCVRKGXGCQDE-SFQUDFHCSA-N	362.429	4.778	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1cc(F)c(F)cc1F	752145728	BILJCFKGNVAVFP-UHFFFAOYSA-N	370.783	4.658	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1cc(F)c(F)c(F)c1	753657060	UPPIQGWIMWZOBB-UHFFFAOYSA-N	370.330	4.689	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1c(C(C)C)nn(Cc2ccccc2)c1Cl	754686663	VBZDWEDDNZYKTE-YBEGLDIGSA-N	355.869	4.840	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(F)c(Cl)c2Cl)n1	761387828	YNLAALFMQKQTET-UITAMQMPSA-N	371.220	4.830	50	20	FJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Br)C(C)(C)C	768034259	QQGWNIUJYUTSQD-FZMZJTMJSA-N	369.328	4.686	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1CCC(C(F)(F)F)CC1	768280958	PZFQYOVGJIOFSW-UHFFFAOYSA-N	355.187	4.805	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(Cl)c(C(F)(F)F)c2)ncn1	773177338	VKLWEZWMJRATAB-ONNFQVAWSA-N	355.772	4.935	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	776257464	LFOGVDFDEFOLDL-JYRVWZFOSA-N	363.747	4.740	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C(F)(F)F)ccc2F)cc1	780806398	OTTZJXBDOPMURO-UHFFFAOYSA-N	354.347	4.899	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)c3ccc([N+](=O)[O-])c(C)c3)sc2c1	788732108	NWHZEIRMAJITNE-JYRVWZFOSA-N	351.387	4.586	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cnc(Cc2ccccc2F)s1	799756307	YMGPISSEDXZDLQ-UHFFFAOYSA-N	369.465	4.501	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc(C)sc2C)cc1	914762800	XPHCSFYOBHAKIP-FMNVXAMXSA-N	354.475	4.548	50	20	FJGD	
N#C/C(=C/c1ccc(/C=C/C(=O)O)o1)c1nc2cc(Cl)ccc2s1	1777566169	SLECMYRRILPODK-JSRXJHBZSA-N	356.790	4.705	50	20	FJGD	
CCOc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1OC	25403772	VTVWKUMMOQIODD-AWEZNQCLSA-N	355.525	4.747	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1	60421894	JTHYGWKORBVMPB-KPKJPENVSA-N	350.365	4.961	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Oc2ccncc2)c(Cl)c1	120224562	FOBSMLHDZMDEAD-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccc(C#N)cc1	155387109	WXUGZOHIYNDQHX-UHFFFAOYSA-N	373.412	4.506	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	172692794	FKKPBAFRYBMMRE-ZBQKXELDSA-N	355.419	4.631	50	20	FJGD	
CC(C)(CCO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192260085	GPPMOPCYVOWLDX-UHFFFAOYSA-N	362.364	4.874	50	20	FJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	255414043	XBFLAKVOFZWPOA-PTNGSMBKSA-N	372.346	4.816	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC([C@H]2CCOC2)C1	370486641	YZMHXXACKZMTBC-JTQLQIEISA-N	372.359	4.844	50	20	FJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cnn(CC)c3)c2C)cc1	732528943	GPFXJGCMBLWNEQ-UDWIEESQSA-N	372.472	4.663	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1Cc2ccccc2-c2ccccc21	733922235	RJQIIVAGFMDJRV-UHFFFAOYSA-N	365.864	4.566	50	20	FJGD	
CC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccsc1	749098560	BUEBHBHBQJVEGP-UHFFFAOYSA-N	372.453	4.512	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1cccc(C(F)(F)F)n1	754246992	LQQHGXOHLNTESR-OLZOCXBDSA-N	363.383	4.533	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(OC(F)F)c(F)c3)n2)cc1	754679689	JUMICEXQMCGOQV-ZSOIEALJSA-N	371.318	4.850	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)Nc1ccc(Cl)cc1	761474338	LBZXKERYRVKUEQ-YFHOEESVSA-N	352.608	4.587	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncco3)cc2)c1C	766670996	FTDFMSKRRHZRJS-UYRXBGFRSA-N	374.444	4.716	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1	767030056	NGVNWKBKTNNUCR-KGLIPLIRSA-N	358.707	4.813	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1OCC	772174684	COOODPAJRZRQLK-VIZOYTHASA-N	357.356	4.552	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)C1(c2c(Cl)cccc2Cl)CCC1	774019458	APIZXWCZEPDVIF-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cc(C(F)(F)F)ccc2F)ccc1[N+](=O)[O-]	774562172	RVZVOBBGCNUNFG-WUXMJOGZSA-N	366.270	4.825	50	20	FJGD	
N#C/C(=C/c1cccc(Br)n1)c1nc2cc(F)ccc2s1	777917025	UBPMZQHVPCCWDJ-TWGQIWQCSA-N	360.211	4.657	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)/C=C\c2nc3ccccc3s2)cc1	781041777	LMIQPVFXJRBEDA-SEYXRHQNSA-N	351.475	4.750	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(SCc2ccccc2)cc1	786042680	DAKLMLPTJSLZEK-UYRXBGFRSA-N	357.500	4.668	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1Cl	787134957	KXIHIASFDJJDNX-UHFFFAOYSA-N	354.784	4.822	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccc(Cl)cc1Cl	788701728	JPPKTVZDYYUIAJ-UHFFFAOYSA-N	355.652	4.973	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cnc(-c4ccco4)s3)c[nH]c2c1	789126478	FLRNVJHXJLQQEN-MDWZMJQESA-N	359.410	4.983	50	20	FJGD	
Cc1cccnc1NNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1	791221843	ZZKGRVTZENKKDJ-GOSISDBHSA-N	367.449	4.506	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794703543	VOTGWCICQIRVSZ-MLJKTZRHSA-N	361.367	4.803	50	20	FJGD	
CCOC(=O)[C@H]1C/C(=C/c2cccc(CCl)c2)C(=O)c2ccccc21	802710573	ZNTIEFFIEWZGBX-QMDZLVRISA-N	354.833	4.742	50	20	FJGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)c1ncc(C(F)(F)F)cc1Cl	810251076	OHYRZBRFODEHOO-WZUFQYTHSA-N	352.699	4.516	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccccc3Br)cc2c1	810680564	TUZMCYTVLFNOKL-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1noc(-c2ccccc2)n1	811484344	ZSPBENDMMBNAKJ-HNNXBMFYSA-N	371.868	4.595	50	20	FJGD	
N#C/C(=C/c1ccc2oncc2c1)C(=O)Nc1cccc(Cl)c1Cl	821032354	SFWCORFWWLKCGL-WDZFZDKYSA-N	358.184	4.680	50	20	FJGD	
COC(=O)[C@@H](C)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	839895961	PVYBHIYNPMPFOH-XJKSGUPXSA-N	367.536	4.616	50	20	FJGD	
COc1sc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1Br	843265233	LSWVZTYRZHMCOC-RUDMXATFSA-N	367.293	4.917	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O	846966522	MPTUQXURNWKAJO-TVFCKZIOSA-N	371.612	4.633	50	20	FJGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)OCC(F)(F)F	853429301	HOLQSSLXOBLHTM-JTQLQIEISA-N	368.277	4.617	50	20	FJGD	
C[C@]1(CN[C@@H](c2cccnc2)c2cc3ccccc3o2)C[C@@H]1Br	857081588	HBAUUWZQHPYEQC-GBESFXJTSA-N	371.278	4.680	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)n1	914721484	DJMYAGAIWLINMN-JMIUGGIZSA-N	364.493	4.627	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c1C	916481741	AIHIRZPWWQOLCH-MVMZHWFQSA-N	369.292	4.549	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ncccc1C(F)(F)F	119577260	OHHFHNOYVBRMHQ-FMIVXFBMSA-N	355.319	4.680	50	20	FJGD	
Cc1nc(CSc2ccc(C(=O)NNc3cccc(F)c3)cc2)cs1	154292161	UETBSKFVSFZHOJ-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1csc(COc2ccc(Cl)cc2)n1	255523183	KRTMQMCJVURBMM-JYRVWZFOSA-N	360.866	4.898	50	20	FJGD	
N#C/C(=C/c1ccc(CSC(F)F)o1)C(=O)c1cc(F)cc(F)c1	588597643	RJNFWMDRHOATOK-YHYXMXQVSA-N	355.312	4.803	50	20	FJGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)c1cccc(Cl)c1	732917925	UAARLFNZQCJQML-HXUWFJFHSA-N	350.849	4.558	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccccc3Cl)s2)c(C)c1	748318193	KHQZMLAPDFZOQJ-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F	752143692	KEZSVFNGTNEKMD-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1ccncn1	758916249	QEXQFEMVIDTSNE-SDNWHVSQSA-N	363.852	4.677	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(-c2ccccc2)ns1	763610722	POLDQQMFVCLJEB-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1Br	765614527	XCPOQWXOFPKXII-UXBLZVDNSA-N	365.133	4.700	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cccc(F)c2)cc1)C(=O)Nc1nccs1	766288086	AVEHKORNCRBGIU-UVTDQMKNSA-N	365.389	4.620	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCCc2cc(C(C)(C)C)ccc21	766578836	XBFPDUBQZBVHSV-UHFFFAOYSA-N	373.928	4.629	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)c1	768933423	CRHRNWHVLOQTCS-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1	775273168	SCYQBQWRFINCHB-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
N#C/C(=C/c1nc2c(s1)CCCC2)c1nc2ccccc2n1C(F)F	776265840	MUPXWLGIFYCDRQ-LUAWRHEFSA-N	356.401	4.831	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@H](C(F)(F)F)C3)cc2C1	783510129	VMNKCIHHWJMGCC-PWSUYJOCSA-N	358.429	4.711	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc2cccnc12	783713669	UNVFETOPLZLPGZ-BOPFTXTBSA-N	364.351	4.935	50	20	FJGD	
C[C@@H](O)[C@H]1CCCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	792871557	MLJOUGFPJSDUNU-XLIONFOSSA-N	363.618	4.801	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](O)Cc1ccccc1	793821039	YEVLRWSHWZBKRP-AWEZNQCLSA-N	367.339	4.886	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1	799591281	GTHCHAOBOXZGTR-HNNXBMFYSA-N	364.449	4.600	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	806567420	GVFBUZCGOADWHF-BJMVGYQFSA-N	352.266	4.842	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ncsc1-c1ccccc1	812766757	WNBRKDGXZICPEN-UHFFFAOYSA-N	351.475	4.999	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2sc(N(C)C)nc2s1	812768611	YLRKOHYLUZUBDQ-UHFFFAOYSA-N	374.535	4.613	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCC[C@@H]2C2=CCCCC2)o1	814820780	PFIUJXYSZLDGNG-LJQANCHMSA-N	371.525	4.898	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)ccc1OC(=O)CC	840716489	JIBINSUEXLPTRE-GDNBJRDFSA-N	369.442	4.561	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)ccc1OC(=O)CC	843270354	YJLLHDQXASJNAP-OQLLNIDSSA-N	368.458	4.799	50	20	FJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1cccc(Cl)n1	853410377	KXBCQEFIPCQICR-UHFFFAOYSA-N	368.868	4.690	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)c1C	915847781	RQVPWEZMZFGNLZ-NDENLUEZSA-N	373.456	4.909	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)c1ccc(OC(F)F)cc1	1116476028	SNNTUPQMZIKZRD-LGMDPLHJSA-N	368.383	4.678	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F	1339432187	BKWCLWGXJIYUHQ-BZPKPHBRSA-N	359.319	4.802	50	20	FJGD	
CC(C)CCO[C@H](CBr)c1ccc(Br)cc1	71125329	RJSPVYXYDSRVGY-CYBMUJFWSA-N	350.094	4.948	50	20	FJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNc1ccccc1Cl	92761070	ZQONKTCJILPKBL-GFCCVEGCSA-N	360.870	4.883	50	20	FJGD	
CCOC(=O)C(C)(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946029	GIBJTGQNHAIJSQ-UHFFFAOYSA-N	361.332	4.872	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccc(Cl)cc1F	255672672	NBOHRIRBBXMXAG-XFFZJAGNSA-N	369.808	4.787	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(OC)c1OC	730148677	JNNVLTBJNZWMAB-WQLSENKSSA-N	370.405	4.525	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1C[C@H]1c1ccc2ccccc2c1	746703971	QUMSSTBXQFQLDR-HOTGVXAUSA-N	356.347	4.504	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)ccc1OC	749674281	MAPJWNTUEFPRPI-YSKWHIJTSA-N	357.450	4.655	50	20	FJGD	
C[C@@H](c1nc2ccccc2s1)N1CCN(/C(=C\C#N)c2ccccc2)CC1	750791186	MZMMZBRPJIIYFZ-BCUAHEQISA-N	374.513	4.540	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccc(-n2ccnc2)cc1	754494542	FUTGAXMVCCFLLI-QGZVFWFLSA-N	362.520	4.630	50	20	FJGD	
O=C(CCCn1cccn1)Nc1cccc(S(F)(F)(F)(F)F)c1	762527440	AXEIWBHZDPNXBE-UHFFFAOYSA-N	355.332	4.959	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc2ccsc12	768306276	ALTQIBASBGVUJO-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)ncn1	773150012	LVYXGYWSUMAPIK-SDQBBNPISA-N	354.435	4.525	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])c(Cl)c3)c[nH]c2c1	774127028	PCGJVOKZAJGDQQ-NTUHNPAUSA-N	365.776	4.828	50	20	FJGD	
O=S(=O)(NCC1CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777875459	LDIJTHZDMMYJSY-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	777883624	BXXLMJICQMOLFJ-VBKFSLOCSA-N	364.832	4.515	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(Cl)s1	783687997	SORRGPPWUVZQBK-WEVVVXLNSA-N	353.186	4.753	50	20	FJGD	
CCN(Cc1ccc2ccccc2c1)C(=O)/C(C#N)=C/c1ccc(O)cc1	786903559	XRSUPMDMBMAUEB-FYJGNVAPSA-N	356.425	4.501	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(COc2ccccc2)cc1	787494956	RGEHKARCKMTKEL-XMHGGMMESA-N	370.408	4.517	50	20	FJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(C(F)F)cc2)c1	794465949	RDXLGSNVLGWDSE-UHFFFAOYSA-N	360.404	4.585	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1cccc(F)c1	811628193	QGZPUYHATVVEJU-NYYWCZLTSA-N	365.147	4.831	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	811691044	ITGFSJITTMELHQ-XEQUUTRQSA-N	366.371	4.878	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	817889811	MOAQOTVEGFXDHI-JKSUJKDBSA-N	365.260	4.639	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3c(Cl)cccc3Cl)cc2C1	916353431	MMCNMBFBFQUZCI-SNVBAGLBSA-N	367.301	4.944	50	20	FJGD	
CC(=O)N[C@@](C)(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	935401027	RGOLWZSBPOURSP-CQSZACIVSA-N	374.375	4.833	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1Cc1ccco1	7157294	IUTKNEKSAQOGMB-VYVDHXHBSA-N	373.456	4.531	50	20	FJGD	
COc1ccc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	15434637	UOHNOJJAFDMHJB-QPJJXVBHSA-N	371.651	4.812	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2cc3cnn(C(C)C)c3nc2Cl)sc1C	125397749	IEYNYJPTFUEJNG-ACAGNQJTSA-N	357.870	4.803	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1sccc1OC(F)F	126418696	AEPMYGWWUQIJFG-UHFFFAOYSA-N	371.167	4.552	50	20	FJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3ccccc3F)c2c1	153265640	QGCXUIZEMHBEDY-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
O=C(NNc1ccccc1Br)c1cc(Cl)ccc1Cl	153489822	PBZNVPGXEDOREA-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CCC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(C)C	254372607	SISKTSFZMZFXAT-UHFFFAOYSA-N	354.479	4.547	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)c1nc(-c2ccccc2)cs1	255204306	ZFPQLWNMVLSKRC-LDADJPATSA-N	358.470	4.869	50	20	FJGD	
Cc1ccccc1[C@H](CC(C)C)NC(=O)c1c(C)nn(CCCl)c1C	303542567	KCKWOKKLLZADMB-SFHVURJKSA-N	361.917	4.564	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(Br)ccc2F)c1C	727654669	HYOKIVUBFAWRGM-ZSOIEALJSA-N	358.210	4.995	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	728785510	JNYRLXSZBNQISW-XNTDXEJSSA-N	362.820	4.584	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C/c1cn(C(C)(C)C)nc1-c1ccccc1Cl	731157128	RTBBLUQIZUDHDT-SDNWHVSQSA-N	369.852	4.595	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cc(F)c(F)cc3F)c(F)c2)cc1	734555151	VKZKRHVBFZTKTQ-UHFFFAOYSA-N	374.337	4.975	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)ccc1OC(F)F	735619717	PWYSUPDLYZWGHS-NTEUORMPSA-N	369.371	4.936	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)c3nc(C)c(C)s3)cs2)cc1	741475331	YIGPTEXYQZQITH-ZSOIEALJSA-N	353.472	4.956	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc(Cl)c2Cl)cc1C(F)(F)F	746889746	PEPODVFYNBHAPW-UHFFFAOYSA-N	374.149	4.641	50	20	FJGD	
CCc1ccc(-c2ccc(C(=O)NNc3ccc(OC(F)F)cc3)o2)cc1	748661274	PWTODDTYKAVECW-UHFFFAOYSA-N	372.371	4.867	50	20	FJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)oc2c(F)cccc12	754152722	UMUTUZSDMYOPAR-UHFFFAOYSA-N	370.277	4.795	50	20	FJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)Nc1ccccc1Cl	761390750	FNGXXEKPCVZLMG-JXMROGBWSA-N	357.797	4.634	50	20	FJGD	
N#C/C=C\CSc1nnc(Nc2ccc(SC(F)F)cc2)s1	763299472	VVYSBDXGEUGUQT-UPHRSURJSA-N	356.448	4.768	50	20	FJGD	
Cc1cc(C(=O)NN=C[C@H](C)c2cccc(Cl)c2)c2ccccc2n1	763345428	IOMCFVSGIIKYJM-ZDUSSCGKSA-N	351.837	4.716	50	20	FJGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)c1c[nH]c2cc(F)ccc12	765503543	NJXFBMGJLDAMPO-POHAHGRESA-N	359.282	4.511	50	20	FJGD	
C=CCCOCCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	775639681	SGVLNDVEJVOTMY-UHFFFAOYSA-N	365.688	4.853	50	20	FJGD	
COc1cccc(C2=CCN(C(=O)CCCC[C@@H]3CCSS3)C2)c1	779685035	DGAJVEAUAHPCMX-GOSISDBHSA-N	363.548	4.635	50	20	FJGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)C12CC3CC(CC(C3)C1)C2	781120131	HBOVPWDZRQDZKV-UHFFFAOYSA-N	367.880	4.555	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2Cl)c(C)c1	783682391	AAOKXHFQBSTLKV-LZYBPNLTSA-N	368.820	4.509	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(F)F)cc1)c1ccccc1	787140531	HGBCOHRJNQQPIF-XYSGSMRZSA-N	370.399	4.505	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1Cl)c1ccccc1Br	798981525	LGRWNSFDUIFMSL-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccc(Cl)s3)s2)cn1	800791943	YCUSOVAVEZDWFU-UXBLZVDNSA-N	359.863	4.653	50	20	FJGD	
Cc1nn(C)c2sc(C(=O)/C=C/c3ccc(OCCCCl)cc3)cc12	811695074	WVVSEHYLNHKXOO-RMKNXTFCSA-N	374.893	4.847	50	20	FJGD	
C[C@H]1C[C@@H](CO)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	817313740	UEQLGHOJMKQDBD-WDEREUQCSA-N	374.375	4.826	50	20	FJGD	
CC(C)(CO)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1	834588303	SCGJCOCSBPXLLB-WMZOPIPTSA-N	367.580	4.577	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H]([C@@H]2CCCCO2)C1	855952168	SGTOHIZYCBKJJE-ZACQAIPSSA-N	357.585	4.508	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2F)c(C)n1CC(C)C	912706527	SOMBBUNIKFSJMD-CXUHLZMHSA-N	357.404	4.585	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1OC	921138469	MYHFLWRJNWXBBT-WLRTZDKTSA-N	362.212	4.800	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	921261840	KVMCMUXCZBNOTA-QPEQYQDCSA-N	361.228	4.856	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc3ccccc3[nH]2)c1C	1319069113	TUZDZENXDARQBR-NDENLUEZSA-N	374.488	4.562	50	20	FJGD	
Cc1cc(C)c2cc(C(=O)NNc3ccccc3C(F)(F)F)sc2n1	1345704602	MRTMFBLZWFEDLK-UHFFFAOYSA-N	365.380	4.689	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12	24099843	SVWCCDZYSQMAJZ-JLHYYAGUSA-N	360.804	4.567	50	20	FJGD	
Cc1c(C(=O)NNc2ccnc3ccccc23)sc2ccc(F)cc12	106923689	TYQMGKGAGVLPRJ-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
Cc1cccc(OCCCCC(=O)NNc2ccccc2C(F)(F)F)c1	108958985	NBEDPGMESLFZPH-UHFFFAOYSA-N	366.383	4.706	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)cc2)c1	207823859	DTVGWZNFQKQBEO-ZHZULCJRSA-N	354.409	4.908	50	20	FJGD	
CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)[C@@H](C)CC	726430388	SCTCBBJMDLTGBZ-CJAAZZPWSA-N	350.256	4.760	50	20	FJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)s1	731155514	IYNDBAQBCQCYAE-WQLSENKSSA-N	360.866	4.827	50	20	FJGD	
C/C(=C\C(=O)NNc1cc(F)c(F)cc1F)c1ccc(C(F)(F)F)cc1	734554829	JNRKBCXVOJXXLW-RMKNXTFCSA-N	374.284	4.669	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC	747032519	GYZKLKAQMBACMA-WOJGMQOQSA-N	362.429	4.504	50	20	FJGD	
O=C(NNc1cccc(F)c1)C1(c2ccc(Cl)c(Cl)c2)CCC1	748090467	WYEDNHIFQDBZCE-UHFFFAOYSA-N	353.224	4.698	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	748764155	WQIINDRDCAETHY-HZPDHXFCSA-N	372.255	4.788	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC	749454063	YGQSHDQEJNEGPD-DSQDWWTGSA-N	368.408	4.557	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Cl)c2cccnc12	752811542	XTBCISFXRTVJJK-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CC[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1nc(C)cs1	752952234	LIWGDZBGFPHRGB-NSHDSACASA-N	359.282	4.536	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2nc3ccc(F)cc3s2)c1C	761392548	NLYITTDOCOCDIC-NTEUORMPSA-N	365.433	4.830	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(C(F)(F)F)n1)c1ccc2ccccc2c1	769126030	GCDXFFUMFNLNTN-UHFFFAOYSA-N	373.378	4.675	50	20	FJGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1cccc2c1OCCO2	771514906	WGCVWBXZVWDCNF-FMIVXFBMSA-N	360.196	4.554	50	20	FJGD	
N#C/C(=C/c1nc2c(s1)CCCC2)c1nc(-c2ccncc2)cs1	776266013	NMLIARZTGUROIL-LCYFTJDESA-N	350.472	4.605	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(Oc2ccncc2)c1	781086548	IYKJTKSBMPEBQH-HNNXBMFYSA-N	363.255	4.622	50	20	FJGD	
C[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@H]2CCCC[C@H]12	782505189	VCICNRKEGUMKGP-PTUXOGIPSA-N	367.473	4.511	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(C3CCC3)cc2)cc1C(F)(F)F	790803370	GVDVFBHXEFHNHY-UHFFFAOYSA-N	359.351	4.601	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(OC(F)F)ccc2ccccc12	792635608	HMXUSXCDCPWYQV-KAMYIIQDSA-N	365.401	4.521	50	20	FJGD	
COc1cc(OC)c(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(OC)c1	794707818	NHLLZVSADSFGRG-IZZDOVSWSA-N	370.405	4.525	50	20	FJGD	
CCCN(N=Cc1cn(CCC#N)c2ccccc12)C(=O)OC(C)(C)C	794997663	ZZOXCAYYSIJMFZ-UHFFFAOYSA-N	354.454	4.536	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c(SC)cc1OC	809146689	SHCAEJHLWNHHLR-MFOYZWKCSA-N	367.470	4.832	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-n3cccn3)cc2)cc1	884003887	RUYWLPCJLDIFIL-MNTXUITRSA-N	370.456	4.931	50	20	FJGD	
COc1ccc(F)cc1[C@H](C)NC(=O)NNc1ccc(Cl)cc1Cl	916591501	QDQBNYMBCKKSIS-VIFPVBQESA-N	372.227	4.528	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3ccoc3)c2C)c1	918666117	VAGYKODLRZUDDD-MTJSOVHGSA-N	373.456	4.561	50	20	FJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=C/C=C/c1ccco1	920357636	URNBFSOMYAJQQY-NEEXXXSFSA-N	367.232	4.561	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCCC(C)C)cc2)c1	16409811	UJBUATHRODLOHA-QGOAFFKASA-N	364.445	4.666	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1c(F)cccc1F)C(=O)c1c[nH]c2ccccc12	128864860	UBOQCNYJZHGUTC-WQLSENKSSA-N	374.350	4.626	50	20	FJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNc3c(C)cccc3F)c2)n1	184502944	SKXJDPYRQYWDGI-UHFFFAOYSA-N	354.385	4.555	50	20	FJGD	
CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193221808	KHVQTPDSVVNGGI-SNVBAGLBSA-N	374.375	4.787	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2Cl)c1C	209498983	XSOOTNLAGOFFHS-DHDCSXOGSA-N	359.832	4.853	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(-c2ccccc2F)s1	728698692	MJBXLEYRAAUGKV-AATRIKPKSA-N	360.841	4.886	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3ccccc3F)cs2)c1	732577077	KSQMEBCRZHIUAZ-ZROIWOOFSA-N	364.401	4.748	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	734263779	PMIIPHSTJHPMOC-IBGZPJMESA-N	351.837	4.756	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(-c2ccccc2Cl)on1	746695686	JQFRYDKGKBOYIS-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(C(F)(F)F)cc1	748743536	GVOBRNCONFWRCX-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1(c2cccs2)CCCCC1	748811156	USQHGMFDLQIFQZ-UHFFFAOYSA-N	354.397	4.511	50	20	FJGD	
Cc1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)o1	752173330	AQSPCHKAMNKMIC-UHFFFAOYSA-N	357.413	4.511	50	20	FJGD	
N#Cc1ccc(NNC(=O)CCc2ccc(-c3ccccc3)o2)cc1Cl	753306569	QGSSKCUMICGSDT-UHFFFAOYSA-N	365.820	4.548	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)c1ccc(OC(F)F)cc1	761479786	NQIHBOBHLDMXGY-YRNVUSSQSA-N	369.154	4.780	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1	774117552	DOKOZKRSIHSUHS-RIYZIHGNSA-N	366.764	4.671	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccccc1Nc1ccccc1	775264826	ODHILBGEWYJWCR-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1Cl	776256968	IEQNKTMHEYVADH-JYRVWZFOSA-N	363.747	4.740	50	20	FJGD	
C[C@H](Sc1nc2ccccc2s1)C(=O)NNc1ccc(Cl)cc1	776485805	ASEGFZHPLYGFRE-JTQLQIEISA-N	363.895	4.574	50	20	FJGD	
Cc1nc(C(=O)NNc2ccc(Cl)c(F)c2)c(-c2ccccc2)s1	778934496	QIRYVGTUORDETQ-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(Cl)cc(C(F)(F)F)c1	779016988	FZDUIPSNXOBKDQ-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
C[C@H](O)[C@H]1CCCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	792871555	MLJOUGFPJSDUNU-PXNSSMCTSA-N	363.618	4.801	50	20	FJGD	
C=CCNC(=O)Nc1ccc(NCc2ccc(OCCCCl)cc2)cc1	811470187	VGSRZFQEFVFMQQ-UHFFFAOYSA-N	373.884	4.614	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3c(C)nn(C)c3Cl)n2)cc1	812487603	DCWDRXPZWUAKKD-ZSOIEALJSA-N	354.866	4.878	50	20	FJGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817914994	FQLQIQOIPLQRCJ-UKTHLTGXSA-N	364.392	4.865	50	20	FJGD	
CC(C)c1ccc(NNC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1	838573316	MQIJXQVFGLHNJS-SNVBAGLBSA-N	372.416	4.673	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1nc(-c2ccccc2)oc1C1CC1	98115991	MCLBLCCZELRZLF-UHFFFAOYSA-N	353.809	4.629	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Oc2cccnc2)cc1	133272826	RQDVYSTXDJKWCS-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CC(C)c1c(C(=O)NNc2cccc(F)c2)cnn1-c1ccc(Cl)cc1	154092738	VDQRRRJQAGWLKT-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(c2ccc(O)cc2)CC1	247955122	MYVBKHRIKQBYQF-SFHVURJKSA-N	365.564	4.812	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccn2Cc2ccccc2C#N)s1	588541711	ROYUYNGNHRHQEW-WQRHYEAKSA-N	357.438	4.568	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1OC(F)F	588597326	HKAKUXKZJLHGGR-ZSOIEALJSA-N	361.319	4.616	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)c1C	727655472	UQEPSMWTPUSAHL-ZSOIEALJSA-N	356.219	4.561	50	20	FJGD	
C[C@@]12CC3CC(C(=O)NNc4ccc(F)c(F)c4F)(C1)C[C@](C)(C3)C2	728718650	OEMHCHSVYWFCPF-PDPGNDQDSA-N	352.400	4.544	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735616673	CUOHVETZTGERLR-UNOMPAQXSA-N	367.456	4.797	50	20	FJGD	
COc1ccc(C(C)(C)CNC(=O)CCCC[C@@H]2CCSS2)cc1	746014468	BTSUSCNVJHJGRH-QGZVFWFLSA-N	367.580	4.803	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1nc(C(F)(F)F)cs1	754256340	CXPNZTIHADIERX-QWRGUYRKSA-N	369.412	4.595	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1	761394890	XHLPYBLBXIKWSP-JYRVWZFOSA-N	351.406	4.598	50	20	FJGD	
C[C@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1c(F)cccc1F	767397129	XAMGYJUBFOWOHF-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)C2CCCCC2)c(-c2cc3ccccc3o2)n1	767713942	NMNCTUVCFLWALD-BOPFTXTBSA-N	359.429	4.890	50	20	FJGD	
CC[C@@H]1CCCC[C@@H]1NCCP(=O)(c1ccccc1)c1ccccc1	775678780	UFIYDZGMCQPFJK-KNQAVFIVSA-N	355.462	4.559	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2)c(OCCC(C)C)c1	792402022	PWRMAVUMNSOUHS-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2cc(Cl)ccn12)c1ccc([N+](=O)[O-])cc1	794689360	BBXQHINGYKXXRT-XFFZJAGNSA-N	359.172	4.613	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1	811475634	JAOJYOWLJJSTCA-RTWAWAEBSA-N	359.897	4.704	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812247018	YFOGQYKFZQQSIY-ZSOIEALJSA-N	354.335	4.863	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2cnn(C(C)C)c2nc1C	812769485	JJRVIAZQOLVNPM-UHFFFAOYSA-N	365.481	4.509	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(C2CCCCC2)c1C	812769734	UUQYNDSKJFRWQQ-UHFFFAOYSA-N	354.498	4.885	50	20	FJGD	
CCCCCCOc1ccc(C(=O)N(C)CC(Cl)Cl)cc1OC	816629044	VIHKUEJXUFKNDE-UHFFFAOYSA-N	362.297	4.530	50	20	FJGD	
Cc1oc(-c2cccs2)nc1CC(=O)NNc1ccc(C(C)C)cc1	837056315	YLBHUMACGIISGX-UHFFFAOYSA-N	355.463	4.521	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccc3ccccc3c2)cc1	915198677	PWFQZXQMUYZAIA-JWGURIENSA-N	370.452	4.504	50	20	FJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCCC[C@H]3C)cc12	916273238	WTZJILANXLFUFS-CYBMUJFWSA-N	366.490	4.691	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2cc(F)ccc12	917621009	FOOQMKQYPXORCW-KPKJPENVSA-N	374.293	4.995	50	20	FJGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Cl	7159126	LSRJSEFYRWWXOX-FMIVXFBMSA-N	350.727	4.904	50	20	FJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1ccccc1Cl	59117291	JSOHRSFEZNOUSJ-CLFYSBASSA-N	367.655	4.710	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1O	72117975	APBSPLHKUPXHFR-ACAGNQJTSA-N	361.228	4.862	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1ccco1)C[C@H]1CCCO1	130228249	BGIOJTYKGRELHM-IAGOWNOFSA-N	369.552	4.501	50	20	FJGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1ccc(Cl)c(F)c1	153089955	OUFIXQSTDGIJTK-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3cccc(C(F)(F)F)n3)oc12	155995148	CENMFWMJUAMMJR-UHFFFAOYSA-N	363.339	4.529	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnc2ccccc2n1	191361230	SXTDRBPVHUOULA-RVDMUPIBSA-N	368.352	4.862	50	20	FJGD	
C[C@]1(O)CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192261957	UMQYGOYXLYJFFV-ZDUSSCGKSA-N	360.348	4.723	50	20	FJGD	
CCCCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192797595	JQAXWZURCCDWRI-UHFFFAOYSA-N	360.348	4.589	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)C(=O)c1ccccc1F	212685343	UMFWBUCDFHJHEU-PTNGSMBKSA-N	363.367	4.557	50	20	FJGD	
O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cccc([N+](=O)[O-])c1	254441872	PKPSCPFANOSOEV-UHFFFAOYSA-N	369.380	4.665	50	20	FJGD	
CN(CCOc1cccc(Cl)c1)C(=O)CCCC[C@@H]1CCSS1	302847744	QYRZYLZSDIMPRU-MRXNPFEDSA-N	373.971	4.891	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnc2ccccc2n1	588580834	RTRFFCKWMVRLGP-PTNGSMBKSA-N	368.352	4.862	50	20	FJGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-c2ccc(Cl)cc2)s1	725721730	VIPQLUQLYKRXPS-UHFFFAOYSA-N	369.877	4.631	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(Br)cc2F)c1C	727654660	HRELYKPPHSOREY-RIYZIHGNSA-N	358.210	4.995	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)s1	729823940	UWYJHXFEUYWDEH-GXDHUFHOSA-N	367.861	4.994	50	20	FJGD	
O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1ccc(Cl)nc1	743818246	OVGVOFUENMNXEO-SFHVURJKSA-N	365.864	4.595	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1	748769550	KNHGEVUZGJYBKS-ZDUSSCGKSA-N	373.378	4.891	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1ncccc1C(F)(F)F	754249060	VFCXOQZJQDIADW-CHWSQXEVSA-N	363.383	4.533	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1C(C)(C)C	758418581	QGUNVIASHNRGGC-FOWTUZBSSA-N	359.429	4.861	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(F)cc(C(F)(F)F)c1	763613337	WCHJLQAAYKMFMZ-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)c1nc(-c2ccc(C#N)cc2)cs1	770572808	KWXCDLNWJAYITH-CAOOACKPSA-N	356.385	4.757	50	20	FJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccccc1OC(F)(F)F	779207029	JTANUTBZQWRXNS-LUAWRHEFSA-N	370.758	4.785	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=C1CCC[C@H](c2cccnc2)C1	799870311	GOBIYDMNTPNPSB-HNNXBMFYSA-N	371.481	4.533	50	20	FJGD	
CC(C)[C@@H](CO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	806422396	RCXRVQSYTLCPCF-SNVBAGLBSA-N	362.364	4.730	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	808247145	RLTICRUTNQZRJY-RYUDHWBXSA-N	369.317	4.608	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1c(Cl)cccc1Cl	917146282	IOIUFSTYJGAGHX-RAXLEYEMSA-N	374.223	4.945	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1cc(C(F)(F)F)ccc1F	1335802408	ICTLPDVLARXKAK-UHFFFAOYSA-N	366.314	4.910	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc(C)c3)c(F)c2)c(F)c1	109428010	KFOGFMNCLUNDLM-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1cnc2cnccn12	157049213	IFFDDXALGXSVFN-AWEZNQCLSA-N	372.803	4.561	50	20	FJGD	
CSc1ccc(Cl)c(C(=O)NNc2cccc(Br)c2)c1	192521425	CPPHRVSBOHUVOR-UHFFFAOYSA-N	371.687	4.581	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H]1C=CCCC1	193540739	FMSIYXUMZCIYKN-JTQLQIEISA-N	370.343	4.507	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)cc1Cl	760212777	VFRFGKOYMLLCNF-GHXNOFRVSA-N	373.865	4.618	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1coc(-c2ccccc2)n1	767406906	KPWSKVUARNZZHM-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1F	780004109	DNMSAHGEFIXUKS-NTUHNPAUSA-N	352.340	4.635	50	20	FJGD	
CC(/C=C(/C#N)c1nc(-c2ccccc2)no1)=C\c1cccc([N+](=O)[O-])c1	787170668	ZXKYTFSRLDGRFV-RLGXRJJKSA-N	358.357	4.655	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(-c2ccnn2C)c1	801647649	HHWPKOUJNNNQIN-SFQUDFHCSA-N	353.429	4.644	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1	811475632	JAOJYOWLJJSTCA-LEWJYISDSA-N	359.897	4.704	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(F)cc1)c1csc(-c2ccccc2F)n1	814425825	IIBINVZLVFNNIF-UHFFFAOYSA-N	373.428	4.509	50	20	FJGD	
CC(C)(NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	821574197	WREJVJZVOSATBU-UHFFFAOYSA-N	372.359	4.587	50	20	FJGD	
CN(C)[C@H]1CCc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc21	836880800	PNZUPLMICVDEEO-WMZOPIPTSA-N	364.580	4.888	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(C1CC1)C1CC1	859309602	UUBKGIDNBDOINU-UHFFFAOYSA-N	363.373	4.660	50	20	FJGD	
COc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1F	915709792	OKGYVVQNEYIZOR-UHFFFAOYSA-N	365.408	4.578	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1	920067897	FKEPTZUHLCHHKX-RIYZIHGNSA-N	353.834	4.931	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc2c(c1)oc1ccccc12	1261090594	XJLVVIDFGRLJCL-UHFFFAOYSA-N	353.381	4.891	50	20	FJGD	
COc1ccccc1-c1ccc(C=NNC(=O)c2ccccc2Cl)cc1	1318672995	WYCBLPSQWJTZTI-UHFFFAOYSA-N	364.832	4.780	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F	1335666130	JGDMBAWQTZFNGV-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	1776384182	UYVYKOVLPZLEPN-NTUHNPAUSA-N	367.355	4.658	50	20	FJGD	
O=C(NN=C1CCCCCC1)c1cc(-c2ccncc2)nc2ccccc12	6405156	CRLWIURUJMUFOX-UHFFFAOYSA-N	358.445	4.737	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	7208116	CUDGLJBOWARHBE-WOJGMQOQSA-N	364.445	4.722	50	20	FJGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1	27121695	YKFIQBYTKMUMRH-IGVUGNCQSA-N	361.850	4.554	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)nc2ccccc21	171764834	FFCYYNVDAHKJAR-WQLSENKSSA-N	359.763	4.892	50	20	FJGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)C(=O)c1ccc(F)c(Cl)c1	179615265	JCKHBTIIUYXMPG-WZUFQYTHSA-N	360.175	4.570	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)c1	211488559	QSKJHQMIDNBTQQ-UNOMPAQXSA-N	359.429	4.600	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cnc(C3CCCC3)s2)cc1	255180652	YQHJMEMGIVYFTK-PTNGSMBKSA-N	367.474	4.745	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)o1	255330995	WZNRPLLBCSLTRN-UFLKPIKFSA-N	360.335	4.967	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	727264274	OZMBJGNVULFHGD-WJDWOHSUSA-N	352.821	4.759	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(-c3ccc(Cl)cc3)c2)s1	729820432	QZKJHWLDAXMUIR-ZSOIEALJSA-N	353.834	4.686	50	20	FJGD	
CC[C@H](NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1	732917897	RRLRCDSPDFLWLF-KRWDZBQOSA-N	351.475	4.504	50	20	FJGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1)c1cccc(Br)c1	741767972	QEYITLQZCBXUHW-HNNXBMFYSA-N	371.278	4.578	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc(OC)c1O	747033656	JPEDDZBGFUJYSZ-LICLKQGHSA-N	372.424	4.709	50	20	FJGD	
O=C(NNc1ccccc1F)[C@@H](Sc1ccccc1)c1ccccc1	748050246	SDLDEQHIMZGGND-IBGZPJMESA-N	352.434	4.802	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3scnc3c2)c1C	748517235	DTVMMJONKLKXHS-CXUHLZMHSA-N	364.474	4.670	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	748769132	CCKOQIJGKPETDW-CABCVRRESA-N	372.255	4.788	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(Br)c1	752813028	OLEFDKRDMJEPOQ-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N(CCCO)C1CC1	752977978	JKCNMJZNTSGTBF-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)cc1Cl	753315627	JRCYTTUPLGVYPS-MOPGFXCFSA-N	361.832	4.612	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c1	760148063	YTBBDCAYHVZDOV-MRXNPFEDSA-N	365.452	4.919	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1)c1ccccc1	761387823	YMAJPCNNKLQZLE-VSKPTYQZSA-N	364.392	4.941	50	20	FJGD	
COc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1C1CC1	769845929	KBMUKMDGPYJILU-UHFFFAOYSA-N	367.836	4.531	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)c1ccc(F)c(Cl)c1	773145785	UMIIWUVTCWCABU-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
O=c1[nH]c(CSCCCCl)nc2cc(-c3ccc(F)cc3)sc12	782891576	CBMGKYGOAZIBAI-UHFFFAOYSA-N	368.886	4.653	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)c3ccc(Cl)s3)c2C)no1	783687512	LENILXVPTVXHDN-RIYZIHGNSA-N	371.849	4.895	50	20	FJGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1cc2ccccc2s1	788361050	SEOLLNXOQDWNBT-VBKFSLOCSA-N	355.422	4.877	50	20	FJGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1ccc(Cl)c(OC)c1	790187808	SVXYDFQTHMYAOB-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
Cc1c(NNC(=O)c2coc3ccc(C(C)C)cc23)cccc1[N+](=O)[O-]	804467472	CXBCSDPURSAIAL-UHFFFAOYSA-N	353.378	4.530	50	20	FJGD	
CC[C@@H](C)C(=O)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl	915973625	CEFNJSCGCBRXDQ-SECBINFHSA-N	371.293	4.690	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)c1ccc2c(c1)OCO2	915989205	CHRDSAIYPDYIGD-ZROIWOOFSA-N	361.328	4.604	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/C(C)=C/c2ccccc2)c1C	7167852	RZKJEUPJKKORPJ-JOEZZVDMSA-N	362.429	4.544	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12	139496230	PYTCQCTWZFONQZ-SDQBBNPISA-N	356.303	4.698	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)sc1-c1ccc(F)cc1	150879715	KWPIXUCLUQHCQK-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
CN(C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCC1	174796249	HWTRIQILIIWMRD-LBPRGKRZSA-N	352.809	4.922	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)c3ccc(F)cc3)c(Cl)nc21	192804200	PBOVZOHCNIMIFO-VGOFMYFVSA-N	368.799	4.595	50	20	FJGD	
O=C(C[C@H]1CCCOC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	193474511	JFGJKWXERUUFGK-YGRLFVJLSA-N	367.820	4.661	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)c1	206949277	CABVOVDHEKYLRJ-ZHZULCJRSA-N	369.424	4.515	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(/C#N)c3nc(C)cs3)o2)c([N+](=O)[O-])c1	229987216	OJEWKKWXGXTXCY-GHXNOFRVSA-N	367.386	4.693	50	20	FJGD	
O=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(Br)cc1	252462513	SZHFLZAWKCLXEV-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(F)cc1Br	255192721	KBJAZEJUTKVOET-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](CO)CC1	297100743	GJGIMYNSQPJPIL-LLVKDONJSA-N	374.375	4.970	50	20	FJGD	
Cc1c([C@H](NC(=O)NNc2cccc(C#N)c2)C(C)C)oc2ccccc12	732705157	SAEJPGJAKXGDEE-LJQANCHMSA-N	362.433	4.636	50	20	FJGD	
C[C@H]1CCC[C@H](C)N(CCP(=O)(c2ccccc2)c2ccccc2)C1	741796345	YUJRXMBVXYCDRS-PMACEKPBSA-N	355.462	4.511	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	747003710	MLEAWPLMNKTCAC-NTEUORMPSA-N	360.335	4.568	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1C#N	766287536	GVNQZMFKWGAXMQ-RIYZIHGNSA-N	356.212	4.719	50	20	FJGD	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCC[C@@H]1CCSS1	767081037	MYKOHFODZVBEOD-CZUORRHYSA-N	369.527	4.617	50	20	FJGD	
CCC(=O)c1cccc(NC(=O)NNc2ccc(Cl)cc2Cl)c1	770072978	JTEQZPWZNZSABX-UHFFFAOYSA-N	352.221	4.735	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1occc1-c1ccccc1	779209417	VJSRDCWTSYYQTI-UHFFFAOYSA-N	362.307	4.602	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(Cl)c(OC(F)F)c1	780691385	FFEVDCOEXVQNAB-UHFFFAOYSA-N	362.163	4.743	50	20	FJGD	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	787409163	BGJXPERYOVLQJL-MMVRYDLHSA-N	368.864	4.603	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)s1	790610540	VSJRZDBQCAXTLB-WQLSENKSSA-N	362.401	4.832	50	20	FJGD	
N#C/C(=C/c1ccc(SCc2ccccc2)cc1)C(=O)C1CCOCC1	794959695	YYVXVHZVEGCSEP-ZHZULCJRSA-N	363.482	4.882	50	20	FJGD	
CCCN(N=Cc1c(C)nc2scc(C3CC3)n12)C(=O)OC(C)(C)C	794996288	GAVOMSZKDKWVRX-UHFFFAOYSA-N	362.499	4.563	50	20	FJGD	
CO[C@@H]1CCOc2c(NCc3ccc(OCCCCl)cc3)cccc21	811498424	USPYLSGGJXKICJ-LJQANCHMSA-N	361.869	4.776	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1ccccc1)=C\c1ccccc1OC(F)F	811685813	CVWAYYGNXAGOEE-YUTYINLDSA-N	354.356	4.780	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(OC)cc2Cl)cc1	813873214	TWYAVDIGSPWMEG-XNTDXEJSSA-N	370.836	4.601	50	20	FJGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccccc1Cc1ccccc1	846460338	BILCRXKZXZCRDX-HNNXBMFYSA-N	350.384	4.699	50	20	FJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(F)cc1Br	917550111	VOHFMZPLXUXGKD-OTQCRUNXSA-N	367.262	4.997	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(-c4cnn(C)c4)cc3)n2)cc1	1339670893	SRVRPUFCZJWCCG-ODLFYWEKSA-N	367.412	4.510	50	20	FJGD	
O=C(NNc1ccccc1)c1sc(-c2ccco2)nc1-c1ccccc1	73957374	MGBQIPSMZIZOPC-UHFFFAOYSA-N	361.426	4.827	50	20	FJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1cccc(Cl)c1	121104031	RNHSPZQFXSPQSK-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1	124811894	JTHYGWKORBVMPB-GHXNOFRVSA-N	350.365	4.961	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	160720860	FYGAACNJXRBNCR-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	174053864	OGBDQGGZFIVZIC-RIYZIHGNSA-N	361.228	4.685	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C/c1cncc(F)c1	175627418	KLVATKWNHDIHAN-AATRIKPKSA-N	355.438	4.571	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(Cl)s1	588424596	BWMNDHCJWJVJQK-GHXNOFRVSA-N	357.797	4.516	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2)cs1	727848857	WLZMMRGGCPVZOW-YBEGLDIGSA-N	363.417	4.803	50	20	FJGD	
CSC(C)(C)CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	743795125	VXJLCGGJMLMSTM-PDGQHHTCSA-N	373.566	4.775	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc2[nH]ccc12	747199743	VKIKYUSCCNWBRO-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc2cnccc12)c1ccccc1C(F)(F)F	748773326	LHOQRMWAEJTRMS-CYBMUJFWSA-N	373.378	4.891	50	20	FJGD	
Cc1nc(CC(C)C)c(C(=O)NNc2ccnc3cc(Cl)ccc23)s1	755676861	DUVQXEIEOZZHKY-UHFFFAOYSA-N	374.897	4.609	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCC(F)(F)CC2)c1C	761906732	FGVNCPNHUMGFQB-ATVHPVEESA-N	363.452	4.506	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)Sc2nc3ccccc3s2)c1	763092602	PZUCVVHNOUJASI-ZDUSSCGKSA-N	357.504	4.537	50	20	FJGD	
COc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)ccc1Cl	767403137	WJQLWJFTPRMORO-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
N#CC1=CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1	780688002	UEFLVWRFFZIFMO-UHFFFAOYSA-N	356.784	4.567	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])s2)cc1	782178727	IBCWZWWXNBHVLX-GVIGZQTCSA-N	355.419	4.715	50	20	FJGD	
CCc1c(NC(=O)[C@H](Br)C(C)(C)C)cnn1C(CC)CC	791618553	LCMIKUCFSUDDMI-AWEZNQCLSA-N	358.324	4.555	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1	794873828	HRIRPDYGMPMIDJ-LCYFTJDESA-N	357.251	4.910	50	20	FJGD	
CCCN(N=C(C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C	794998883	XZQCZTINPDHIBO-UHFFFAOYSA-N	355.822	4.619	50	20	FJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CC(Cl)Cl	808247698	LNABFUYPPKHIGN-UHFFFAOYSA-N	363.697	4.648	50	20	FJGD	
Cn1c(/C(C#N)=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc2ccccc21	811627170	VMVHONJNYSCPJO-WDZFZDKYSA-N	373.199	4.852	50	20	FJGD	
CN(C)[C@@H]1CCc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc21	836880798	PNZUPLMICVDEEO-SJLPKXTDSA-N	364.580	4.888	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccnc(Cl)c3)c2c1	855467635	FMHSMHOLUHIJKO-UHFFFAOYSA-N	366.852	4.534	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cc2ccccc2nc1Cl	915972553	POCNJUJXQCZCRR-UHFFFAOYSA-N	373.843	4.734	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)c(Br)c1	915989682	FYPDZCSLLIMSTJ-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1	916242834	HLNXMBBUUTYCGV-UHFFFAOYSA-N	365.436	4.783	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cccc3c2OCCCO3)cc1	917142784	POBPBWYRBYSYGS-JXAWBTAJSA-N	361.441	4.935	50	20	FJGD	
CC(C)COCCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918562412	IDWZYFYEEHSZQP-AWEZNQCLSA-N	369.836	4.907	50	20	FJGD	
CC(C)(C)c1nc(C=NNC(=O)c2ccc(Cl)cc2Cl)cs1	920371853	WHDHLQLZFWVXIE-UHFFFAOYSA-N	356.278	4.511	50	20	FJGD	
COc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccn1	1325495387	VOOGGIGMICYNIC-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
COc1ccc(C(=O)NNc2c(F)cccc2Cl)cc1-c1ccccc1	1342839835	BXGMXJKZYYXQNS-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	44027358	AIPNDDURFFZWLG-NVNXTCNLSA-N	372.815	4.797	50	20	FJGD	
O=C(NNC(=O)Nc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1	175837672	RDVSWOXQZQAZKT-UHFFFAOYSA-N	373.627	4.505	50	20	FJGD	
CC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186073782	VPUAGDPVCYSTIE-CYBMUJFWSA-N	372.359	4.684	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)CCCc3ccccc3)c(Cl)nc12	727685600	SZBSKNGNHDUAGQ-UHFFFAOYSA-N	365.864	4.670	50	20	FJGD	
C=C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1	731052402	OKOVSXRVQCGONO-XSFVSMFZSA-N	351.494	4.696	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OC	735619624	OLRYZTXJJPOHBQ-NTUHNPAUSA-N	353.809	4.606	50	20	FJGD	
C[C@@H](CC(=O)NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1	738542180	FTGKZQGCBADZAI-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	747062032	RRRPPRNRPQJFCJ-YVLHZVERSA-N	350.374	4.622	50	20	FJGD	
CC(C)(C)c1ccc2cc(C(=O)NNc3ccc(OC(F)F)cc3)[nH]c2c1	748643903	SNRSCVVOHYGTCN-UHFFFAOYSA-N	373.403	4.824	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1	760141202	JPIDYEYBORLNQZ-UHFFFAOYSA-N	373.431	4.894	50	20	FJGD	
CCC[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640281	IUVCKWWDVOLSKV-SNVBAGLBSA-N	374.375	4.930	50	20	FJGD	
COc1ccccc1/C(C)=C\C(=O)NNc1c(Cl)cccc1Cl	763611125	UEVKENGNJJDMQO-KHPPLWFESA-N	351.233	4.549	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1OC(C)C	772177356	UTWIWQWZBWWXRK-CHHVJCJISA-N	357.356	4.550	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1	772805552	HAZULAWJMXOECW-WZUFQYTHSA-N	352.262	4.529	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(F)c(Cl)c1	773154279	LLTGRZIPDUENSK-AUWJEWJLSA-N	369.758	4.594	50	20	FJGD	
C=C(CBr)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C	791484385	VRKMDPCBJFQNQA-KRWDZBQOSA-N	362.315	4.705	50	20	FJGD	
C=C(CBr)CN[C@H](C)c1ccc(-c2ccccc2OC)cc1	791491921	BHADSSOSTPMPNG-OAHLLOKOSA-N	360.295	4.964	50	20	FJGD	
C[C@@H]1C(=O)CC[C@H](C(=O)NNc2ccccc2Oc2ccccc2)C1(C)C	846462852	YBJRHUSXWISEEP-NVXWUHKLSA-N	366.461	4.563	50	20	FJGD	
CCOc1ccc(-c2nc(C)c(C(=O)NNc3cccc(C)c3)s2)cc1	73689503	PNIKPFLPGYKECA-UHFFFAOYSA-N	367.474	4.583	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1OC(F)F	125429696	DTSCBURWXRJPEV-QPEQYQDCSA-N	350.390	4.824	50	20	FJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)S(=O)(=O)c1ccc(Cl)cc1	132512404	QCQURCXTNDEXEB-SXGWCWSVSA-N	361.781	4.564	50	20	FJGD	
CN(CCN(C)C1CC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192255414	VQJTUODAGNIACN-UHFFFAOYSA-N	373.391	4.902	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	211198465	KDEJSHQLUTWSIB-RGEXLXHISA-N	366.424	4.562	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c1C	212095650	YZEILJLITBQDDE-PDGQHHTCSA-N	366.461	4.712	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	212116118	BQISYNKYWCRNNS-KAMYIIQDSA-N	374.412	4.946	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2ccccn12)C(=O)c1ccccc1F	732576999	JGAMMHFFGHWEOK-VKAVYKQESA-N	367.383	4.930	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	733807344	BAHNDLYSCQBPCP-NSHDSACASA-N	367.674	4.739	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C(F)(F)c1nccs1	756633845	WTOSUKNDRTUUJB-UHFFFAOYSA-N	367.446	4.572	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	764106722	CUNLWICHXLVDBD-WJDWOHSUSA-N	353.381	4.515	50	20	FJGD	
C[C@@H](CC(=O)c1cccs1)NC(=O)CCCC[C@@H]1CCSS1	765207895	NDKGTEROPLWTMU-QWHCGFSZSA-N	357.566	4.540	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1	767083908	GVBSZEZSMYVUJB-CRAIPNDOSA-N	350.478	4.733	50	20	FJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	771594152	JLWSAWZREAPMKP-UHFFFAOYSA-N	361.367	4.631	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(-c2ccccc2OC(F)(F)F)o1	780948866	VJFLMIDJMZKFPJ-UHFFFAOYSA-N	362.307	4.602	50	20	FJGD	
C[C@@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	782980686	XGKWONYPVTYJMJ-VIFPVBQESA-N	365.389	4.668	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)c1ccc(Cl)s1	783688278	VHKGUFHXWALJHJ-POHAHGRESA-N	352.640	4.954	50	20	FJGD	
CC1(C)CC[C@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	805110055	NSWNCGIHPCHJOA-LLVKDONJSA-N	365.389	4.811	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sc2ccccc2c1Cl	805385141	XQJGDYIGFOTXDP-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(-c2ccccn2)cc1	810333862	NDCRNGBMPNVWRE-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc2ccccc2[nH]1	811626560	JEKWXGZLWJWCEZ-YHYXMXQVSA-N	359.172	4.842	50	20	FJGD	
C[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NC(C)(C)C	842163202	MDJHCCSHTAHVLE-SNVBAGLBSA-N	360.392	4.737	50	20	FJGD	
C[C@]1(CN[C@@H](c2cccnc2)c2cc3ccccc3o2)C[C@H]1Br	857081587	HBAUUWZQHPYEQC-CEXWTWQISA-N	371.278	4.680	50	20	FJGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	915283100	HQWCRWYLOSZPGK-CTPANLQCSA-N	373.541	4.504	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1	916285641	XNCOLPRDVGACBY-UHFFFAOYSA-N	362.832	4.668	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	918014098	JDIXYRHDQMSGBQ-UHFFFAOYSA-N	357.816	4.644	50	20	FJGD	
C[C@@H](CCC(=O)O)CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776409252	GDVKOROKWWRJME-HNNXBMFYSA-N	351.563	4.661	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	63279219	DQLKOQTXGBHQIG-OVCLIPMQSA-N	359.458	4.767	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1c(Cl)cccc1Cl	125175784	TUVAVDKXSQVAMF-ZROIWOOFSA-N	371.223	4.858	50	20	FJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccccc3F)cc2)cs1	152945256	WOFJDVTYYHXUGW-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(COc2ccccc2)cc1	181140616	LGYWBWFBCJQWDC-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(OC(F)F)cc3)s2)o1	183303574	CJZMJSNBDXIIBH-UHFFFAOYSA-N	364.373	4.675	50	20	FJGD	
O=C(CCOCC(F)F)Nc1ccc(S(F)(F)(F)(F)F)cc1	191948081	TYLWBSDAOZYORK-UHFFFAOYSA-N	355.275	4.954	50	20	FJGD	
CC(C)[C@](C)(O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259590	VYIADKVVEGGPEH-CYBMUJFWSA-N	362.364	4.873	50	20	FJGD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1C	193432114	UISJRWWJRHWKII-UWVGGRQHSA-N	372.359	4.539	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccccc1OCC1CC1	303808785	KUMUTLFOFUCIGE-QGZVFWFLSA-N	365.564	4.806	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)c1C	727655406	WGZKCWQHWFGESE-ZSOIEALJSA-N	372.327	4.603	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(OCc2ccccc2)cc1	728696546	VUFWFTRIOCYJNE-WDZFZDKYSA-N	366.848	4.597	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1)c1ccccc1	732716570	VRFUJUDQQXFYCJ-LCYFTJDESA-N	362.763	4.511	50	20	FJGD	
CC[C@H](NNC(=O)c1ccc(OCCC(C)C)c(OC)c1)c1ccccc1	732917858	QBOAEPQNLLSQSW-IBGZPJMESA-N	370.493	4.506	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)OCCc2ccc3ccccc3c2)c1	733862485	YTXVMOJYKSBUJW-KGENOOAVSA-N	357.409	4.541	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1SC	746341005	ZKXSKKWUIDTMRQ-XNTDXEJSSA-N	362.454	4.997	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)cc2Cl)cc1C(F)(F)F	746894314	KVRMNHPXOKDOER-UHFFFAOYSA-N	374.149	4.641	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	748785766	RZGFHHLCDOLQIB-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(OC2CCC2)cc1	752809448	CMRJEBRCHPUZEH-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1F	752813047	OYOFBEARESDDPD-GHMZBOCLSA-N	357.187	4.518	50	20	FJGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1cc(Cl)ccc1Cl	752813393	VHVNMYZKMPRCOA-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1CC(F)(F)C1	759767577	MSHFQORRYVFGGB-SNVBAGLBSA-N	374.762	4.825	50	20	FJGD	
CC1(C)C(=NNC(=O)c2cccc(OC(F)F)c2)C[C@@H]1c1ccccc1	768486246	ZAQZZUIVJPVOPW-MRXNPFEDSA-N	358.388	4.588	50	20	FJGD	
CC[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(OC)cc1	776222707	RRQUPBWNEOYLJD-INIZCTEOSA-N	369.852	4.534	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)C1CCCC1	781556008	SYYUJTSAXVODRY-UYRXBGFRSA-N	368.440	4.601	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C/c1cnccc1C	783869939	CGRPBDIKLITQRS-VOTSOKGWSA-N	351.475	4.740	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)c(F)c1	784447450	XDWSOZRCMLKDFW-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)c2cccnc12)c1ccccc1	787141208	JYDIALBZMILCKI-XMJIKXADSA-N	359.404	4.548	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3ccc(F)c(Cl)c3)sc2c1	788687096	DISGQCOPRMQXGO-XFFZJAGNSA-N	372.808	4.887	50	20	FJGD	
COc1cc(CNCc2ccc(OCCCCl)cc2)c2ccccc2n1	811481741	LMPIGSFPOWAUBJ-UHFFFAOYSA-N	370.880	4.541	50	20	FJGD	
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812244892	JXALZCWOYQDSSL-WOJGMQOQSA-N	357.369	4.730	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)cc1	817921334	RZBJZESMSRTFFH-QGZVFWFLSA-N	366.383	4.741	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	819843331	KESWDMSSOAGWIY-UHFFFAOYSA-N	374.617	4.653	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1	837053285	BNIJTGGONFLODF-UHFFFAOYSA-N	356.495	4.639	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)nc2)c1C	899892910	QIZKKTIIDRYTNO-ZDLGFXPLSA-N	371.868	4.604	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1ccccc1	915981595	TYWKNKRUAKAFOK-XKZIYDEJSA-N	364.404	4.927	50	20	FJGD	
CCOCCCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	78816128	ISTQLTPVQQAEGU-CYBMUJFWSA-N	355.809	4.661	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1csc(-c2cccs2)n1	153725331	LDEMGTPWIJMGHN-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	159295114	ZYGRRPNPSRUSMK-UHFFFAOYSA-N	357.413	4.724	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1CCCC[C@H]1O	181779552	OATNHAGPHSRNOV-VXGBXAGGSA-N	360.348	4.769	50	20	FJGD	
CC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183508321	YDPQXOWIWLUFOS-JTQLQIEISA-N	374.375	4.787	50	20	FJGD	
CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946794	NDECMOPGIVTMGF-ZDUSSCGKSA-N	372.359	4.684	50	20	FJGD	
C[C@@]12CC3CC(C(=O)NNc4cc(F)c(F)cc4F)(C1)C[C@](C)(C3)C2	734551815	ZUUVYDHZKAANLX-PDPGNDQDSA-N	352.400	4.544	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	743298168	SEPCDEIDDKABPX-IBGZPJMESA-N	353.853	4.771	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1	746703968	QUMSSTBXQFQLDR-CVEARBPZSA-N	356.347	4.504	50	20	FJGD	
CC(C)n1c([C@H]2CCCN2C[C@H](C)CBr)nc2ccccc21	770665899	ICBBQYVNTKQDFJ-RHSMWYFYSA-N	364.331	4.785	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cccc(-c3ncco3)c2)cc1	780606470	VAUFMUFEYQTZAK-UHFFFAOYSA-N	350.422	4.788	50	20	FJGD	
C=C(CBr)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	791485902	CWBRLCQYJJSZLU-OAHLLOKOSA-N	355.279	4.827	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccn1Cc1ccccc1	791714646	LKPZQSIIAHVIEJ-UHFFFAOYSA-N	360.244	4.600	50	20	FJGD	
CCCCCC(=O)Nc1ccc(-c2csc(/C(C#N)=C(\C)N)n2)cc1	806553382	NUQYGIDGZRUMEP-DTQAZKPQSA-N	354.479	4.542	50	20	FJGD	
O=C(NCCC1(CO)CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	836498480	QDAKBXQCOGAVSG-UHFFFAOYSA-N	360.348	4.628	50	20	FJGD	
CC(C)c1ccc(NNC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1	838573315	MQIJXQVFGLHNJS-JTQLQIEISA-N	372.416	4.673	50	20	FJGD	
CC1=NO[C@@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	879139478	YITKEERKEZOKNA-SNVBAGLBSA-N	359.320	4.630	50	20	FJGD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)CCCC[C@H]2CCSS2)C1	915634722	KZCOGEUVCZZSOK-KSZLIROESA-N	372.644	4.575	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	920065457	RLQGQCGXDMVEDH-CAPFRKAQSA-N	366.420	4.788	50	20	FJGD	
CN(N=Cc1ccc(OCc2ccccc2F)cc1)C(=O)OC(C)(C)C	920378453	YCGHWDBVQXJTFE-UHFFFAOYSA-N	358.413	4.606	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)c1nc(-c2ccncc2)cs1	1317965384	BRCFSMWDXBJPSH-QGOAFFKASA-N	358.470	4.869	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CC[C@H]2C[C@H]1CN2	1553311206	LMMDRLGUJTXNRI-GAFUQQFSSA-N	371.375	4.606	50	20	FJGD	
N#C/C(=C/c1ccccc1Br)C(=O)c1c[nH]c2ccccc12	207894650	LRVPVSHZEPAVFP-LCYFTJDESA-N	351.203	4.720	50	20	FJGD	
CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)[C@H](C)CC	726430393	SCTCBBJMDLTGBZ-OJLMPMFISA-N	350.256	4.760	50	20	FJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1C	728287209	QNUIIGBGAJTWLJ-ZSOIEALJSA-N	362.260	4.977	50	20	FJGD	
CC(C)(C)[C@@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	729474532	HZILEXHKKPFEOM-NRFANRHFSA-N	355.462	4.511	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NNc1ccccc1	734269374	IRYYQZSEENYVNZ-CQSZACIVSA-N	352.463	4.506	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)c1ccccc1	743058074	DVLOGPRAQWROOH-GTENMVSRSA-N	367.832	4.688	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)o1)NNc1ccc(OC(F)F)cc1	748644553	PLPNCQRXFAWCCX-UHFFFAOYSA-N	372.371	4.624	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OC	749453391	SMXVHWBABOQVQD-UHVIJJLKSA-N	361.445	4.823	50	20	FJGD	
C[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)s1	750234040	YTQABOFYUBTKDI-VIFPVBQESA-N	366.273	4.850	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(Cl)cc3Cl)co2)cc1	755580376	BCLCQGQBOVRWEY-UHFFFAOYSA-N	374.227	4.721	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	777476443	GGLRKPBKVNAHHR-INIZCTEOSA-N	373.378	4.723	50	20	FJGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1ccc(C(C)(C)C)cc1	781041475	NOUFDIJXBNIMBP-UHFFFAOYSA-N	355.438	4.574	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)sc2c1	788687973	HYDZQUCSNUKMKW-FLIBITNWSA-N	369.833	4.504	50	20	FJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1	790589064	RXIQQIIVCAHQNK-UHFFFAOYSA-N	357.385	4.539	50	20	FJGD	
C=C(CBr)CN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F	791491446	UDWVJJAKGSAHMR-NEPJUHHUSA-N	350.222	4.738	50	20	FJGD	
CCCN(N=C(CC1CCCCC1)c1ncccn1)C(=O)OC(C)(C)C	794997185	QFEXQQIQOQSTSG-UHFFFAOYSA-N	360.502	4.798	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC[C@H](c3ncccc3C)C2)c2ccccc2n1	799105611	DLEKOUHFNMTENU-KRWDZBQOSA-N	372.472	4.690	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccccc1Oc1ccncc1	801176739	QUQRVRHGQZQVON-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1ccc([C@@H](NCc2ccc(OCCCCl)cc2)C2CC2)cc1	811472267	CLCZBCXQUAABLO-NRFANRHFSA-N	359.897	4.944	50	20	FJGD	
COc1ccc2[nH]cc(CCNCc3ccc(OCCCCl)cc3)c2c1	811479757	KTDHMQNWDOECCO-UHFFFAOYSA-N	372.896	4.517	50	20	FJGD	
CN(C)[C@H]1CCc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc21	836880790	PNZUPLMICVDEEO-AEFFLSMTSA-N	364.580	4.888	50	20	FJGD	
C[C@]1(CN)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841180238	YSJBOLUSTPDIOJ-CYBMUJFWSA-N	359.364	4.547	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3ncccc3c2)c1C	916075717	SCPVJVNQONQWMU-UNOMPAQXSA-N	358.445	4.609	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	917516567	AWKVZGLRUUCFBP-VIZOYTHASA-N	372.660	4.985	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1	1338071390	HPCCMEIKUQXFQQ-MDZRGWNJSA-N	364.327	4.724	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC	7156580	XYQGITXJGUPDPB-FOWTUZBSSA-N	368.408	4.559	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)cc1	7159260	IYRDZEUGJKFREN-NBVRZTHBSA-N	368.440	4.663	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cc(C)ccc2C)cc1OC	127585886	SEIASLWUSPGLAK-UHFFFAOYSA-N	362.857	4.511	50	20	FJGD	
CCN(CC)C(=O)CCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180334314	JESDTOUIXDCVCF-UHFFFAOYSA-N	374.375	4.931	50	20	FJGD	
CCN(C(C)C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181671975	KSXSNCIQQVQKBG-UHFFFAOYSA-N	353.378	4.763	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CCCC[C@@H]1O	181779530	OATNHAGPHSRNOV-RYUDHWBXSA-N	360.348	4.769	50	20	FJGD	
CC[C@H](CCO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261911	SWUNQCAFIRYGBH-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
N#C/C(=C/c1cnc(-c2cccs2)s1)C(=O)Nc1ccccc1F	255572103	ASFZDMJHGUEMDC-FLIBITNWSA-N	355.419	4.556	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)c1ccc(F)c(Cl)c1	255831665	YQBCMPUMEJKBMX-IUXPMGMMSA-N	365.795	4.514	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](c2cccc(F)c2)C1	729444498	DTXULDQPNZZMKL-DOTOQJQBSA-N	353.528	4.856	50	20	FJGD	
O=C(CCCOc1cccc2ccccc12)NNc1cc(F)c(F)cc1F	734553521	PRCYOSMIAFEHLU-UHFFFAOYSA-N	374.362	4.559	50	20	FJGD	
N#CC(C#N)=CNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1	743247646	SOXUENJNRWKDEU-UHFFFAOYSA-N	354.291	4.712	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1cccc(Cl)c1Cl	755405107	XGBUQXYUINVGMC-ONNFQVAWSA-N	353.155	4.817	50	20	FJGD	
CC[C@@H]1CCCC1=NNC(=O)c1ccc(NN=C2CCC[C@H]2CC)cc1	758362437	TUJXBVWJMYFMHP-HZPDHXFCSA-N	354.498	4.961	50	20	FJGD	
CCCN(CC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773079422	ZGCFXQFTOARUCJ-UHFFFAOYSA-N	360.348	4.541	50	20	FJGD	
N#C[C@]1(F)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	786136963	WUKFTINGCKBEIQ-GFCCVEGCSA-N	359.295	4.813	50	20	FJGD	
Cc1ccc(N(Cc2cccs2)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787346268	OJVZITFSQWBVSD-QGOAFFKASA-N	374.465	4.903	50	20	FJGD	
COc1cccc(C2(CNC(=O)CCCC[C@H]3CCSS3)CC2)c1	810730818	CALMMMCKIBXAJN-KRWDZBQOSA-N	365.564	4.557	50	20	FJGD	
Cc1nnc(-c2ccc(NC(=O)NNc3c(C)cccc3C(C)C)cc2)o1	812948510	SKRDZHISTHCBEU-UHFFFAOYSA-N	365.437	4.625	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(C2CCC2)c1	812994749	PYWJDCSDPKVVNC-UHFFFAOYSA-N	350.344	4.517	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1C[C@H]2CC[C@H]1[C@H](O)C2	887979521	HXMOTYZDPCHJFS-TVYUQYBPSA-N	372.359	4.721	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cnc(-c3ccccc3)nc2)c(C)c1	917145734	VIZKBGUTQLGCPE-JAIQZWGSSA-N	368.440	4.615	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1ccc(F)cc1Br	917549731	AWRQMUBIGUFNAH-VXGBXAGGSA-N	367.262	4.664	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	918712378	KLJGFUCWNYXBNB-ATVHPVEESA-N	353.491	4.722	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1Br	918712963	FFHVUVKORWSAFC-CXUHLZMHSA-N	370.246	4.864	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1	7212215	SJSZFCYSQZLCNG-XMHGGMMESA-N	358.445	4.955	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccccc2SCc2cccs2)c1	152723381	IZCGQFQOEGWQKN-UHFFFAOYSA-N	365.483	4.669	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2oc3c(ccc4ccccc43)c2C)c1	156620236	UZWNYZQDBOIENJ-UHFFFAOYSA-N	364.376	4.799	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	726428878	PWOBPCFALLYLHG-CLXYIWAZSA-N	367.420	4.935	50	20	FJGD	
CCC[C@@H](C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005212	ONQNCWLCAMIGRR-SSDOTTSWSA-N	354.075	4.635	50	20	FJGD	
Cc1ccnn1-c1ccccc1NC(=O)CCCC[C@@H]1CCSS1	753279463	LKBNXMGMMZDTGO-OAHLLOKOSA-N	361.536	4.833	50	20	FJGD	
O=C(NN=C/C=C\c1ccc(F)cc1F)c1ccc(Cl)cc1Cl	758096686	NSQOISZPKYCXKY-SLJZUAOWSA-N	355.171	4.701	50	20	FJGD	
CCSCc1ccnc(NC(=O)CCCC[C@@H]2CCSS2)c1	762232183	LXJCJEMGHHZEKF-CQSZACIVSA-N	356.582	4.987	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2nc(C(C)C)n3ccccc23)c1C	762604916	OKFGTQDZGJQNMB-SFQUDFHCSA-N	358.445	4.620	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N(Cc1ccccc1)Cc1ccco1	781074053	UPHAKZASMMLOJP-MRXNPFEDSA-N	364.283	4.618	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)C1CCCC1	781554632	STMYEJRSWNMSAM-BXBHGGAKSA-N	359.853	4.564	50	20	FJGD	
COc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1F	782093649	SQSNAVDWCOBIAL-UHFFFAOYSA-N	365.408	4.578	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1)O[C@H](C)C2	797398826	LJSLVUJPWVRGTB-IWTIEGKHSA-N	354.475	4.837	50	20	FJGD	
Cc1cc(NCc2ccc(OCCCCl)cc2)ccc1C(=O)NC(C)C	798188042	XGYVVFJGUFDHRV-UHFFFAOYSA-N	374.912	4.753	50	20	FJGD	
Nc1ccc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	801705650	RVIQQVNKBAICCN-UHFFFAOYSA-N	368.331	4.643	50	20	FJGD	
C[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1CN	841178147	APWQZWBDNNAONF-ZWNOBZJWSA-N	373.391	4.935	50	20	FJGD	
Cc1cccc(CSCC(=O)NNc2ccnc3cc(Cl)ccc23)c1	913187983	FZBFROKKSLXERU-UHFFFAOYSA-N	371.893	4.573	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	917621655	BHTPIQFOVLTXHB-SDNWHVSQSA-N	363.398	4.545	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cs2)cc1	918712643	CXYPHYIPFKBYFQ-HIHUVZAKSA-N	365.502	4.720	50	20	FJGD	
C[C@H](NC(=O)NNc1ccccc1Cl)c1ccccc1C(F)(F)F	919920324	SCYHLVFOPQFWJD-JTQLQIEISA-N	357.763	4.746	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccn(C2CCCCC2)n1	1320859168	FGOAOVIFOBKLDT-UHFFFAOYSA-N	367.375	4.556	50	20	FJGD	
FC(F)c1noc(CNCc2cccc(S(F)(F)(F)(F)F)c2)n1	1336836837	LOROJUNAZKSNPV-UHFFFAOYSA-N	365.274	4.954	50	20	FJGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)CCCC[C@H]1CCSS1)CCC2	1342045887	CDECYORHZOWSHS-HOTGVXAUSA-N	367.584	4.672	50	20	FJGD	
CC(C)(C)[C@H]1COC(C(C)(C)P(c2ccccc2)c2ccccc2)=N1	1988188014	IZPNWDIHIVBRDB-LJQANCHMSA-N	353.446	4.741	50	20	FJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@@H](CC)c2ccccc2)cc1	6517048	PFWSWZFFRACTGH-IBGZPJMESA-N	369.534	4.541	50	20	FJGD	
Cc1c(C(=O)NNc2ccnc3ccccc23)oc2ccc(Cl)cc12	106925209	LEWMTLXTGLSMSQ-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccccc2F)cc1	153143711	LZZCXEWSWORWMF-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(OC[C@@H]3CCCO3)cc2)n1	176918653	HYTMPTSMRGLBAC-FJJYYWMZSA-N	354.475	4.888	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(CC)c2C)cc1	727976245	OIJFVDCRTAMGLU-QCUKBLKESA-N	350.466	4.579	50	20	FJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1cc(F)ccc1Br	728435847	HWDFWEGFRXYXNE-CIRFYHHZSA-N	367.262	4.997	50	20	FJGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	729516294	YBJMOWVVOLZTIT-CYBMUJFWSA-N	353.853	4.697	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(cnn3C(C)C)c2)cc1	735293930	ZBJQAHFLQGOJTE-BOPFTXTBSA-N	374.444	4.562	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@H]1C[C@@H]1c1cccc2ccccc12	740128967	YQLHFGQLYPJURQ-CVEARBPZSA-N	371.362	4.500	50	20	FJGD	
CC1(C(=O)NNc2c(Cl)cc(Br)cc2Cl)CCCC1	742005167	LWBXAAUCIJXZIG-UHFFFAOYSA-N	366.086	4.779	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(Br)cc2Cl)c(C)c1	743764815	AAMZABQZQMHSME-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCC(=O)c2cc(Cl)sc2Cl)c1	748366224	MXMHGTSZQIGRKV-UHFFFAOYSA-N	371.289	4.778	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Cl)cc2cccnc12	748580734	LKYADNMFBBUYJU-UHFFFAOYSA-N	351.837	4.524	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	750687626	XITXUOJHOQDEAB-BXKDBHETSA-N	352.809	4.780	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c3cccnc23)c1C	759116814	STDPVRLPTYOWQL-ATVHPVEESA-N	361.420	4.992	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	780816205	VVGMOOUESBRQAZ-OAQYLSRUSA-N	374.488	4.795	50	20	FJGD	
O=C(NN=C1CCC12CCC2)c1cn(-c2ccccc2)nc1-c1ccccc1	799866836	VRSXCCVVSMQUEZ-UHFFFAOYSA-N	370.456	4.589	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(C(C)(F)F)cc1	815856159	YYVSRHNLONLSBY-UHFFFAOYSA-N	369.209	4.626	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(Cl)s1	839401405	JXQNYZUCWOCAKW-UHFFFAOYSA-N	361.879	4.597	50	20	FJGD	
O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1ccccc1	868112276	QRUMNMWLOMETQU-SREVYHEPSA-N	374.284	4.881	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)cc2)c1	20787012	DTVGWZNFQKQBEO-XSFVSMFZSA-N	354.409	4.908	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)c1c[nH]c2cc(F)ccc12	44027078	OOTPWSWVYLJQTP-KPKJPENVSA-N	356.303	4.698	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(C2SCCCS2)cc1	126867931	SSCJAVSQSNXZQX-UHFFFAOYSA-N	366.458	4.590	50	20	FJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1cccc2cnccc12	178480087	WETQUTKUFIIZID-INIZCTEOSA-N	362.477	4.757	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/C=C1/N(C)c2ccccc2C1(C)C	207820439	IRLXXRNIYFWVFV-RBUZYVRTSA-N	357.457	4.695	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1OC(F)(F)F	209226584	UPUWOEZZEUIWNN-GDNBJRDFSA-N	360.335	4.748	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2C1	301218826	UIMRRWMGPJLYGH-JTQLQIEISA-N	354.397	4.649	50	20	FJGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)s1	314873614	YSIACTJYSBSYCC-FMIVXFBMSA-N	362.248	4.648	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1csc(-c2ccc(C)cc2)n1)c1ccccc1	731931607	LMIWFVQZXNWULH-IBGZPJMESA-N	363.486	4.762	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c(OC(F)F)c1	734094265	AYQBRAAYDUTBAU-OQLLNIDSSA-N	357.356	4.703	50	20	FJGD	
O=C(NN=Cc1ccc(-c2c(F)cccc2F)o1)c1cc2c(s1)CCC2	734363649	NBOUKAWSBCAYRC-UHFFFAOYSA-N	372.396	4.539	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc1C	741475444	ZVVWEQIHZCJQHT-ZROIWOOFSA-N	351.387	4.992	50	20	FJGD	
CCO[C@H](C)c1ncc(C(=O)NN(c2ccccc2)c2ccccc2)s1	742519928	QRVGQTKFSGLYFS-OAHLLOKOSA-N	367.474	4.724	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COCCc1ccccc1	748669788	MZZAXIUOCQRBCD-UHFFFAOYSA-N	368.502	4.582	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1ccoc1	752883027	ARYCCEHFPGGEMJ-KEBDBYFISA-N	354.365	4.520	50	20	FJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccccc1SC(C)C)c1ccccc1	757682645	OINUPEVRIFSFSI-MRXNPFEDSA-N	371.506	4.534	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCSc2ccccc21	763614308	FXJBSWJWPXOABO-NSHDSACASA-N	353.274	4.716	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1Br)C(=O)c1cc(F)cc(F)c1	772179460	QAOUPDJLCMOKHZ-QDEBKDIKSA-N	366.136	4.656	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)Nc1cccc(Cl)c1Cl	772808781	YMRPPRFGOJPJNO-KPKJPENVSA-N	360.175	4.550	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)C(=O)c3cccc(F)c3)c2C)cc1	773172410	RSPJWKCCKOYZOF-NDENLUEZSA-N	373.431	4.786	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCc2c(Cl)cccc21	775650042	OGFQNUKVCSYBDK-LBPRGKRZSA-N	354.759	4.532	50	20	FJGD	
Cc1ccc(NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C	778234826	NSTHFPRJDRSNER-UHFFFAOYSA-N	374.444	4.829	50	20	FJGD	
C[C@H](CC(=O)NNc1ccccc1C(F)(F)F)c1c[nH]c2ccccc12	780850431	GLIUNZWJNLZUDD-GFCCVEGCSA-N	361.367	4.824	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1	794964563	DTOXTKHUYZERKR-XDHOZWIPSA-N	364.408	4.723	50	20	FJGD	
CCN(Cc1ccccc1NCc1ccc(OCCCCl)cc1)C(C)=O	811467895	AMFOLUCOPPPJRX-UHFFFAOYSA-N	374.912	4.675	50	20	FJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccccc1-c1ccccc1	917537637	ONCQFAQBMJTAFR-UHFFFAOYSA-N	353.425	4.528	50	20	FJGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)c2ccccc2F)cc1	920359913	IRDWBQUVWIDUJF-KTECHSMRSA-N	354.425	4.519	50	20	FJGD	
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccc(S(F)(F)(F)(F)F)cc1	1549983131	JXWGWZXHOCVAQM-ZIAGYGMSSA-N	371.371	4.889	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)s2)cc1	1776697485	FXLAWWLKSZWBPF-LQELWAHVSA-N	354.431	4.505	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccccc1F	11333756	AAHCXJWIDKRBLB-SDNWHVSQSA-N	365.795	4.763	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	23217580	MHKCTPNLFPWXGV-OVCLIPMQSA-N	369.808	4.719	50	20	FJGD	
CCO[C@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1	194131706	UPOQFHBRUPANAM-DLBZAZTESA-N	353.553	4.595	50	20	FJGD	
Cc1cccc(NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1	219281847	ZRQAMCBTLHKMBP-UHFFFAOYSA-N	351.475	4.999	50	20	FJGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(Cl)cc1	321283633	ITZUHZWQELHXKW-QGZVFWFLSA-N	372.317	4.551	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1c[nH]c2cc(Cl)ccc12	588421096	KMFNDDFGXJOVSX-UITAMQMPSA-N	357.778	4.581	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1)C1CCCCC1	732716786	ZPGGRFQGGFTHTA-SQFISAMPSA-N	352.409	4.784	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)o1	733781772	HLZPIFZDWJZAON-FFYDSOFISA-N	355.463	4.703	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cnn(Cc4ccccc4Cl)c3)[nH]c12	735619732	QITBBBBGDKSMRH-MFOYZWKCSA-N	373.847	4.834	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	735698751	UPHUPKHZRCVQTA-ZJUUUORDSA-N	357.187	4.518	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccc4c3OC(C)(C)C4)n2)cc1	738288747	KZPUQWRHOBHVMK-WOJGMQOQSA-N	357.413	4.823	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1OCC	747437528	UEVGXWSPUNBSAK-MHWRWJLKSA-N	352.459	4.741	50	20	FJGD	
CCOc1ccc2cc(C(=O)NNc3ccc(Cl)cc3Cl)[nH]c2c1	748007881	HQWMYNFYMGIFOA-UHFFFAOYSA-N	364.232	4.630	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccn2)cc1	752387910	VFXIAOYKAOJCES-SSZFMOIBSA-N	359.360	4.559	50	20	FJGD	
Cc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1Br	757142356	QPOZGENUXRVRER-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccc[nH]3)c2C)c1	760723767	BIWOUTWSMLWSDM-NNIWKIFQSA-N	372.472	4.515	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C(=O)OC(C)(C)C)c2)s1	777871687	LLZGYOXOZGRQKQ-WJDWOHSUSA-N	353.443	4.802	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCC(C)(C)C#N)c1C	782470440	QANBQPBLRFOZTO-CPNJWEJPSA-N	355.482	4.685	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C2CCCCC2)n1	783685423	OWPIIJXHALJZEX-PTNGSMBKSA-N	368.868	4.667	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccnc1OC(C)C	790184068	QTJZJAFIHXNWRY-UHFFFAOYSA-N	369.490	4.819	50	20	FJGD	
C[C@]12CCN(C(=O)CCCC[C@H]3CCSS3)C[C@@H]1C2(Cl)Cl	791179974	IBVSDHQFFPUESR-OBJOEFQTSA-N	368.395	4.743	50	20	FJGD	
COc1cccc2cc(C(=O)NNc3cc(Cl)cc(Cl)c3)oc12	791716129	BMYKWIONXMCNHQ-UHFFFAOYSA-N	351.189	4.505	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COC1CCC(C)CC1	796556040	GMIAXLJFWZTHTP-UHFFFAOYSA-N	360.523	4.918	50	20	FJGD	
CC(C)c1c(C(=O)N(C)CC(Cl)Cl)cnn1-c1ccc(Cl)cc1	808247347	ZDQJYLJWQIFYKM-UHFFFAOYSA-N	374.699	4.525	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1CN	841178293	CCRHMIMPRORXCQ-QWRGUYRKSA-N	373.391	4.793	50	20	FJGD	
O=C(NCCC[C@@H]1CCCN1)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179467	NTLOYIRBPDFNJZ-NSHDSACASA-N	373.391	4.998	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCc3occc32)c1C	913090878	WDDSGLFSBCBTSJ-ZPBCLNFZSA-N	365.477	4.599	50	20	FJGD	
CC(C)(C)C[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccc(F)cc1	916518186	LBKSQCUVEIKROC-SFHVURJKSA-N	354.429	4.501	50	20	FJGD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	921276211	FMNFGMNBVUKGFO-UHFFFAOYSA-N	374.611	4.620	50	20	FJGD	
O=C(NCC[C@H](O)C1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	930844567	DJZWLQRTNJYBOR-LBPRGKRZSA-N	360.348	4.627	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cncs1	1317781025	XTWRYNFFYFGGAH-LLVKDONJSA-N	352.790	4.615	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccn(C2CCCCC2)n1	1324721529	LLJZBAWTMLUJRV-UHFFFAOYSA-N	367.375	4.556	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)c1	1340347357	MWUBNZZJUNJISK-UHFFFAOYSA-N	353.397	4.669	50	20	FJGD	
O=P(CCN1CC[C@@H]2CCCC[C@H]2C1)(c1ccccc1)c1ccccc1	1340736619	ZQXFVLXEETYZNG-SFTDATJTSA-N	367.473	4.513	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1ccc(/C=C/C(=O)O)cc1	1776384102	MNCIZPQZUXJXGP-RZMWGWOTSA-N	357.413	4.779	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1OC	23218016	ASIKEIZFHCNHSR-LFIBNONCSA-N	358.397	4.531	50	20	FJGD	
Cc1nn(C)c(C)c1CNc1ccccc1S[C@H](Cl)C(F)(F)F	92144125	ZRIRBBMKAXQEPL-AWEZNQCLSA-N	363.836	4.868	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)cc2F)sc2cccc(F)c12	115720421	JXUQXUCPXLYPEC-UHFFFAOYSA-N	354.328	4.523	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccc(OC(F)F)cc1	127826298	BZFADJYTAXVUOP-UHFFFAOYSA-N	372.824	4.810	50	20	FJGD	
CN(C)Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)oc2ccccc12	181159848	BOMYOYQSZFSJQY-UHFFFAOYSA-N	365.477	4.549	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(COCC)c2)c1C	726508496	QKENXRAFAYOVDY-MOSHPQCFSA-N	365.477	4.597	50	20	FJGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccccc1C(F)(F)F	742516916	QGAAIVRVVHAPHE-LBPRGKRZSA-N	354.347	4.557	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)c1	763092600	PZUCVVHNOUJASI-CYBMUJFWSA-N	357.504	4.537	50	20	FJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2ccccc2)cc1F	770045102	UEIKSZJJZFIENK-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3ccc(OC(F)F)cc3)cc2c1	776259593	LFDURURDOHLDEP-GXDHUFHOSA-N	369.323	4.833	50	20	FJGD	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)/C(C#N)=C/c1ccc(O)cc1	787385389	FAVQYYWMLOPSHA-AQRZYSDFSA-N	360.457	4.689	50	20	FJGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	790805055	WSFKURLEBPFIKO-UHFFFAOYSA-N	352.356	4.541	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(Cl)c1)c1ccccc1Br	798866634	TZPQBFMEYUVDTA-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
Cc1c(C(=O)/C=C\c2cccc(CCl)c2)cnn1-c1ccc(C#N)cc1	799891200	ATGSZSISNDGZCW-YFHOEESVSA-N	361.832	4.687	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cnc(-c3ccccc3Cl)s2)cc1	817882429	NHAQTZAHKAQMAK-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2cccc(Cl)c2)cn1)c1ccccc1	916163930	HUBQZYRZMVRXET-AWEZNQCLSA-N	367.836	4.632	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(N4CCCCC4)o3)n2)cc1	917619745	MQCBJHCHBKTTSI-GHRIWEEISA-N	360.417	4.693	50	20	FJGD	
CC(C)=CC[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776298992	QLAISCCLQJZNRQ-SFHVURJKSA-N	363.574	4.970	50	20	FJGD	
COc1cc(C(=O)O)ccc1/C=C(\C#N)c1nc2cc(Cl)ccc2s1	1777269959	PBFHDBXWZHKEOQ-WUXMJOGZSA-N	370.817	4.721	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(OCc2cccc(C#N)c2)c1	44025866	MFNJBLMLUGUHMA-RGVLZGJSSA-N	368.392	4.829	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Cl)cc2cccnc12	55796730	MGHBUAXJVFHZRE-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1	131147470	DVAUBCVMRABEKD-QCWVPXHQSA-N	360.398	4.734	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCO[C@H](c2ccccc2)C1	152966779	KFOAQRFNDNSTQV-KSZLIROESA-N	365.564	4.737	50	20	FJGD	
C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181639514	YZXRLVMJTJNASU-SECBINFHSA-N	365.389	4.763	50	20	FJGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1C	731159081	LZCHCGXOLLZNAR-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC[C@@H](C3CC3)C2)ccc1OCCC(C)C	737423280	SDYSTHQSLQWJBT-QGZVFWFLSA-N	372.509	4.806	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)c1ccc2ccccc2c1	754469509	CKXIDLINRQYFGT-INIZCTEOSA-N	368.440	4.544	50	20	FJGD	
CC(C)(C)CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772936382	YQNLOUKVMPJYFW-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c1	773164056	PJQRXGCDDASFMA-ZSOIEALJSA-N	365.795	4.968	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1	781043023	ZARFMPXOOLZRHM-VAWYXSNFSA-N	357.523	4.895	50	20	FJGD	
Cn1cc(/C=C/C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	792549002	CEENOASYWLFZEF-FARCUNLSSA-N	353.316	4.729	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)ccc1OC	794884856	NFXXMRUTJYRASI-UNOMPAQXSA-N	372.424	4.822	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=C1CCC(C(F)F)CC1	799468707	MPVZZDAGSZWRHL-UHFFFAOYSA-N	372.415	4.660	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21	804347695	ADLBBYZMJMFZMO-QBPKDAKJSA-N	364.327	4.591	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1	810202842	RAQCMEXCBUXGJC-QBFSEMIESA-N	356.403	4.574	50	20	FJGD	
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(OCCCCl)cc2)c1	811685299	OPHQAZAMNJFGHX-DHZHZOJOSA-N	357.837	4.549	50	20	FJGD	
COC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	854107534	MPWCWFRBUPMRRV-ZSOIEALJSA-N	362.212	4.652	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)nc2C)c1C	914721712	HCFBPUTXJXVTSN-NDENLUEZSA-N	364.493	4.771	50	20	FJGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	915283101	HQWCRWYLOSZPGK-KKJJZKEWSA-N	373.541	4.504	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2)cc1	917518151	WLFOYVRZDBBDKH-LZYBPNLTSA-N	352.242	4.640	50	20	FJGD	
CCC(CC)c1cc(CNC(=O)CCCC[C@H]2CCSS2)on1	174042234	VDSBEMNHBLDWEK-HNNXBMFYSA-N	356.557	4.909	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cc(F)cc(F)c2)c(C)n1CC(F)(F)F	179176105	WFYVOKSOIHZUCG-PQMHYQBVSA-N	368.305	4.735	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	255541029	CQMDSGKNYUVTOH-WTKPLQERSA-N	369.154	4.523	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1	732926391	OIWYPRFSLBMYRD-QPEQYQDCSA-N	363.747	4.740	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1c(F)cccc1F	735697745	DIALCQUNYKCTMY-UHFFFAOYSA-N	352.340	4.550	50	20	FJGD	
Cc1cnc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)o1	744552162	KFYPONGEKIWGEH-ZDLGFXPLSA-N	367.449	4.557	50	20	FJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CC1CCCC1	749447750	XEFCXVUYOGJGDU-UHFFFAOYSA-N	372.900	4.680	50	20	FJGD	
N#CC(C#N)=CNc1nc(-c2ccc(OCc3ccccc3)cc2)cs1	749837587	SYZNPRUTXDYLHI-UHFFFAOYSA-N	358.426	4.732	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)CCN4C)n2)cc1	751522129	BILBXWLHPIDUPF-PDGQHHTCSA-N	373.481	4.875	50	20	FJGD	
C/C(=C\C(=O)NNc1cc(C)ccc1F)c1ccc(C(F)(F)F)cc1	760137193	SASLGVCMBUISQT-ZRDIBKRKSA-N	352.331	4.700	50	20	FJGD	
CC(=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(F)(F)F	761749727	MVLMRQCFAOQEKE-UHFFFAOYSA-N	370.758	4.587	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)ncn1	773150019	LVYXGYWSUMAPIK-WUXMJOGZSA-N	354.435	4.525	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3ccccc3OC(F)F)cc2c1	775639227	MNNCGFNCDVCBIS-RAXLEYEMSA-N	369.323	4.833	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1	777465659	VHYUEDVSNQQOCH-SEYXRHQNSA-N	371.362	4.800	50	20	FJGD	
O=C(NN=Cc1ccc(OCC2CC2)cc1)c1c(Cl)cccc1Cl	790162652	UCRRSKXMJHRLGZ-UHFFFAOYSA-N	363.244	4.546	50	20	FJGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1	794870347	UQDJUIJHGSHUQD-VKAVYKQESA-N	372.428	4.802	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1Br)c1nc(-c2ccccc2)no1	794873052	OTJFRBJHFRGTKO-XFXZXTDPSA-N	370.181	4.702	50	20	FJGD	
O[C@H](c1ccccc1)C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811454466	JYGPLVGFTWYDOO-JOCHJYFZSA-N	373.924	4.640	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812246122	DNXBIXHYEWXCPB-WDZFZDKYSA-N	370.277	4.775	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812246345	JNQMTWHKOFAVJI-XNTDXEJSSA-N	357.335	4.847	50	20	FJGD	
N#C/C(=C\c1ccc(OCCN2CCCC2)cc1)c1nc(C2CC2)cs1	843265860	PXDWXYPLWOIEPW-QGOAFFKASA-N	365.502	4.559	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cnn(C(C)(C)C)c2)cc1	915984186	QNRSYHUXZBEPMI-LDADJPATSA-N	350.466	4.526	50	20	FJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2ccccc2o1	916130962	IIZYCOPDNWLBEM-QPEQYQDCSA-N	352.733	4.784	50	20	FJGD	
O=C(NN=Cc1ccco1)c1ccc(COc2ccc3ccccc3c2)cc1	916581732	UJAXJTFXCKRPAA-UHFFFAOYSA-N	370.408	4.776	50	20	FJGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1cc2c(s1)CCC2	917536797	UNWYRGIVIBJSLF-UHFFFAOYSA-N	352.484	4.729	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccoc2)c(C)n1C1CCCCC1	918665660	RZOUIPIQLCJCDS-NDENLUEZSA-N	365.477	4.769	50	20	FJGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)CCCC[C@H]1CCSS1)CCC2	1342045889	CDECYORHZOWSHS-JKSUJKDBSA-N	367.584	4.672	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccco2)ccc1OCc1ccccc1	8200449	BIQAWTGOPXBQCL-LDADJPATSA-N	359.381	4.657	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1F	18063458	OIQJSXVMCAETJI-NYYWCZLTSA-N	365.191	4.687	50	20	FJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNc1ccc(F)cc1	45971748	JRMRFEHVDIMHNE-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)c1nnc2n1CCCCC2	96926581	UMRJUVCMGOQXBL-RAXLEYEMSA-N	364.396	4.681	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C/c1csc(-c2cccc(Br)c2)n1	128085348	AQJHELFWJZVENE-KPKJPENVSA-N	361.264	4.705	50	20	FJGD	
CSc1cc(C(=O)NNc2ccncc2Cl)c(Cl)cc1Cl	134238306	DNSXVKIKYLJKCO-UHFFFAOYSA-N	362.669	4.521	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1	182362892	DMKPQDCEAOISJT-UHFFFAOYSA-N	373.428	4.770	50	20	FJGD	
C[C@H](CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C[C@@H](C)O	184427105	KAUCOPAEYWCZFH-VHSXEESVSA-N	362.364	4.873	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)c1cnc2ccccc2n1	191359337	YXMLSHZSNGELOU-XDHOZWIPSA-N	364.408	4.668	50	20	FJGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)c1nc2ccccc2n1C(F)F	194926078	RIBQZZPJOHEUGM-XFFZJAGNSA-N	369.762	4.797	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(Cl)s1	209885509	AWRBHOJSIATJPD-POHAHGRESA-N	367.257	4.918	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1OC(C)C	211478622	GAHPDHSZPCJAQN-PDGQHHTCSA-N	364.445	4.645	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)no1	211491354	BVZBZUNHWMFYSA-ODLFYWEKSA-N	374.444	4.553	50	20	FJGD	
N#C/C(=C/c1nccn1-c1ccccc1)c1nc2ccccc2n1C(F)F	588580964	YRKYCYLONLDDQL-OWBHPGMISA-N	361.355	4.681	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3ccccc3F)cs2)c1	732577075	KSQMEBCRZHIUAZ-NTEUORMPSA-N	364.401	4.748	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c(C)c1	743762740	JJXQNAGZVSDELU-SJORKVTESA-N	373.294	4.621	50	20	FJGD	
Cc1n[nH]cc1CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752991582	YIUYRYRLBKQDCZ-UHFFFAOYSA-N	356.320	4.697	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1Cl	753302539	IUTUTBLSNYMNAI-OALUTQOASA-N	361.832	4.612	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(Oc2ccccn2)cc1	768141705	ATTXWNCQRFDPJZ-OAHLLOKOSA-N	363.255	4.622	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2cscc2Cl)c(C)n1-c1ccccc1	771871893	MGSGZFBGEQRNFX-UHFFFAOYSA-N	357.866	4.573	50	20	FJGD	
CC1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CCCC1	777909923	DKZALSBCVIPUSF-UHFFFAOYSA-N	365.389	4.955	50	20	FJGD	
CC(C)(C)Sc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccn1	778932015	JWDLPBPQIOZVAG-UHFFFAOYSA-N	369.412	4.748	50	20	FJGD	
Cn1c(C(=O)NNc2cc(Cl)cc(Cl)c2)c(Cl)c2ccccc21	791733406	JXWGBWVWOXZTFJ-UHFFFAOYSA-N	368.651	4.895	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	794945977	LZTDQDQIFIBQEP-NSIKDUERSA-N	357.768	4.584	50	20	FJGD	
Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NNc2ccccc2)cs1	810020099	WSEROOYPFDNEDY-UHFFFAOYSA-N	369.465	4.679	50	20	FJGD	
ClCCCOc1ccc(CNc2cccc(Oc3cnccn3)c2)cc1	811469390	YJDLEPXPDATJKB-UHFFFAOYSA-N	369.852	4.889	50	20	FJGD	
ClCCCOc1ccc(CNc2ccc(-c3csnn3)cc2)cc1	811469419	CYSQCFXIYXTNAX-UHFFFAOYSA-N	359.882	4.825	50	20	FJGD	
ClCCCOc1ccc(CNCc2coc(-c3cccs3)n2)cc1	811475822	LGTWVSMPRYAKMH-UHFFFAOYSA-N	362.882	4.701	50	20	FJGD	
CC[C@H](C)n1nc(C(=O)NNc2ccccc2Cc2ccccc2)cc1C	846464870	UETLHQYDVZWVCV-INIZCTEOSA-N	362.477	4.510	50	20	FJGD	
CC(C)c1n[nH]c(CNCc2cccc(S(F)(F)(F)(F)F)c2)n1	922154193	KXRCBMPVIYMMIR-UHFFFAOYSA-N	356.364	4.875	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OC	6935200	VOWVTBWVRLNENZ-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC=C(c2ccc(O)cc2)CC1	69645893	FAKDURSUISHTSE-GOSISDBHSA-N	363.548	4.722	50	20	FJGD	
Cc1cn2c(/C=C(\C#N)C(=O)c3ccc(F)c(Cl)c3)c(C)nc2s1	179615296	RMAXOJXKYOBLHD-WUXMJOGZSA-N	359.813	4.595	50	20	FJGD	
CN1/C(=C/C=C(/C#N)c2nc3ccccc3n2C)C(C)(C)c2ccccc21	212145864	BYIJOLYCJSALMG-DWGFUGGISA-N	354.457	4.792	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	255305609	AEOMPEUUPASYEH-ATVHPVEESA-N	373.412	4.594	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1C[C@H]1c1cccc(Cl)c1	729515064	VAKNSMFNPSMLKQ-HOTGVXAUSA-N	372.255	4.788	50	20	FJGD	
COc1ccc(-n2c(C)cc(C(=O)NNc3ccccc3Cl)c2C)cc1	743798066	HGACTSDLUANGBO-UHFFFAOYSA-N	369.852	4.513	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ncc(-c3ccccc3C)o2)cc1	744502033	MDKMZFIWXBGYBW-WOJGMQOQSA-N	358.397	4.609	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3c(Cl)cccc3Cl)co2)cc1	755696819	BRZQTQIEMJZGLO-UHFFFAOYSA-N	374.227	4.721	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2ccccc2)c1C	771519898	HTPWRRNRQNLBPE-UYRXBGFRSA-N	372.472	4.705	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(C)c2OC(F)F)c1C	777871053	XDXHHHIZZQQGED-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
COc1ccc2cc(CN(C)C(=O)/C(C#N)=C\c3ccc(F)cc3)ccc2c1	785059930	YTRYMGLQHAARMI-JAIQZWGSSA-N	374.415	4.553	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	787325223	KFFNKTGWODRLCR-MJLBXUHQSA-N	366.848	4.610	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)C(=O)C1CCCCC1	789142239	IZSPHIKCRDUDCO-BOPFTXTBSA-N	353.853	4.641	50	20	FJGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2Cl)cnn1C1CCCC1	789820786	JTXYPICMSNULAF-UHFFFAOYSA-N	367.280	4.624	50	20	FJGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	799109524	HBVHGIPYZLVDMI-GOSISDBHSA-N	357.457	4.987	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1	811973731	HGCFFHPJYVZWPF-UHFFFAOYSA-N	372.428	4.506	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(SCc2ccccc2)cc1	817006722	WCDFNRVGYLCDLZ-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
CC[C@@H](NC(=O)NNc1ccccc1Cl)c1ccccc1OC(F)F	916494069	BGPGTIKWHQPTNJ-CYBMUJFWSA-N	369.799	4.719	50	20	FJGD	
O=C(COC(c1ccccc1)c1ccccc1)NNc1ccc(Cl)cc1	916551440	HVBDIACZRHFUFH-UHFFFAOYSA-N	366.848	4.589	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCCOc2ccc(F)cc21	919706153	GDTJAVFZMLZHMG-HOCLYGCPSA-N	369.527	4.870	50	20	FJGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)C(=O)c1ccc(F)cc1	44026245	BDAMCQOQIUHPSE-CPNJWEJPSA-N	358.372	4.590	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccnc(F)c1	153755240	KDPKHYALLGNZRT-CYBMUJFWSA-N	364.751	4.692	50	20	FJGD	
COc1ccc(C(=O)NNc2cccc3cnccc23)cc1-c1ccccc1	178499641	YHCXUXXZZYXSNY-UHFFFAOYSA-N	369.424	4.667	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C)c(OC(F)F)c(C)c2)c1	212142192	OWYJFDNRGMBXDX-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3-n3cncn3)n2)cc1	726743674	NUKPIYAZDLQEFT-VCHYOVAHSA-N	369.453	4.763	50	20	FJGD	
O=C(NCc1ccccc1-c1ccc(Cl)cc1)NNc1ccccc1	734275655	AHBRKXVDLBTDBA-UHFFFAOYSA-N	351.837	4.833	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1Br	746394702	PRPUJCMAVAIHTF-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
CN(NC(=O)c1ccccc1SCc1cccs1)c1ccccc1	752505737	YFNKNLPCHGPMJU-UHFFFAOYSA-N	354.500	4.822	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C[C@H](C)c1cccc(Cl)c1	763354099	LRIMBKTTYHGVHA-NSHDSACASA-N	351.233	4.521	50	20	FJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2cc(F)c(F)cc2F)C1	767093169	IWBNTSMTNKJYHA-KGLIPLIRSA-N	372.431	4.703	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1OC1CCC1	768008452	FIVSAKVAGVVICT-UHFFFAOYSA-N	369.223	4.821	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772178384	DXWONYIKGHYOSC-SOFYXZRVSA-N	369.367	4.718	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(Oc3cccnc3)c(C)c2)ncn1	773148816	HQKBRZNNQHDNNR-SXGWCWSVSA-N	360.442	4.758	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(SC(F)(F)F)cc1	777465000	UNUJXQDWQVBTKG-UHFFFAOYSA-N	363.364	4.604	50	20	FJGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)OCO2	781545166	BVLOZTMEPQUYLC-NTUHNPAUSA-N	359.353	4.520	50	20	FJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)Nc1nc2ccccc2nc1Cl	794685697	JFPLIORXQRIGNS-GXDHUFHOSA-N	374.787	4.575	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(F)c2ccccc12	795275144	YLISJAUXQMFMHO-UHFFFAOYSA-N	364.298	4.634	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cccc(Cl)n3)c(F)c2)cc1C	817004751	OUZPQOITINCVMX-UHFFFAOYSA-N	369.827	4.915	50	20	FJGD	
CO[C@H](CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	836511739	IZRWTESRJSGNKW-GFCCVEGCSA-N	360.348	4.891	50	20	FJGD	
CC(C)(C)[C@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179778	SECURWBXNFCMGJ-NSHDSACASA-N	361.380	4.839	50	20	FJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	857489341	XIPVGRNZTVIVIB-CYBMUJFWSA-N	365.399	4.861	50	20	FJGD	
COc1ccc([C@H](NC(=O)CCCC[C@H]2CCSS2)C2CC2)cc1	913498001	LYGFFBZIUKHCOT-PKOBYXMFSA-N	365.564	4.977	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(OC)c2C)c1C	914735110	BNALHKQXNKACIV-UNOMPAQXSA-N	365.477	4.686	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc1OC	916131841	OGWQOPNNNFESIP-SFQUDFHCSA-N	361.401	4.598	50	20	FJGD	
O=C(NN=Cc1csc(C2CC2)n1)c1cc2c(s1)CCCCCC2	920366220	JZYSBLRRDDJWNM-UHFFFAOYSA-N	359.520	4.505	50	20	FJGD	
CN(N=Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)OC(C)(C)C	920378170	PXZCEUOUPXUTJM-UHFFFAOYSA-N	358.413	4.606	50	20	FJGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)c1ccc(Br)cc1	1261235083	GZEKRWDFCPMOPW-OAHLLOKOSA-N	357.251	4.503	50	20	FJGD	
Cc1ccc(NNC(=O)[C@@H](C)Cc2cncc3ccccc23)cc1Cl	1322776988	WUKPIPYSOCUMDG-AWEZNQCLSA-N	353.853	4.519	50	20	FJGD	
O=C(NN=Cc1ccc(Br)cc1Cl)c1ccccc1Cl	1329968125	ZPBWQOTXLBAFQX-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccccc3C(F)(F)F)cc2C1	68773245	UABRGIKVAAQHAD-SNVBAGLBSA-N	354.397	4.649	50	20	FJGD	
CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)O)cc2[N+](=O)[O-])cc1	209247049	XNHPVOAVNXDPQS-UVTDQMKNSA-N	366.373	4.676	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)c1ccc([N+](=O)[O-])cc1	213175129	SVBXMPIFEQRXIP-XDHOZWIPSA-N	357.369	4.633	50	20	FJGD	
O=C(CCc1ccc(Cl)s1)NNc1ccnc2cc(Cl)ccc12	729514483	FZEAZOQBXXQPPV-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2Cl)c1C	761391143	GLMIVTSHIKHRCA-ZSOIEALJSA-N	353.784	4.513	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3nccnc3C(C)C)sc2c1	772840165	GSTHFZBFBLNSAC-UHFFFAOYSA-N	360.870	4.533	50	20	FJGD	
N#C/C(=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)C1CCCC1	781554243	JMJCQDLSAWEGJP-RVDMUPIBSA-N	359.351	4.557	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C)c(Br)c(Cl)c1	786425585	FJRKHOAPJUSMDY-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cn1c(/C(C#N)=C\c2c(F)cccc2OC(F)(F)F)nc2ccccc21	789128682	AXWUWZSCJKIISO-LUAWRHEFSA-N	361.298	4.675	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)n2)c(C)n1[C@@H](C)c1ccccc1	817006113	WHPNBWRKXMPVCR-AWEZNQCLSA-N	368.868	4.520	50	20	FJGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCC(F)(F)C1	846378804	NJJRDXXVHQQCMV-QMMMGPOBSA-N	356.722	4.627	50	20	FJGD	
C[C@H]1c2ccc(Cl)n2CCN1C(=O)CCCC[C@H]1CCSS1	848090840	KQRKYQPSOSHGSC-STQMWFEESA-N	358.960	4.759	50	20	FJGD	
N#C/C=C(/c1ccc(Br)c(Cl)c1)N1CCC[C@@H](CC#N)C1	852320424	KPEIBCXSMCSJME-CBIOAZOESA-N	364.674	4.593	50	20	FJGD	
N#C/C(=C\c1cnn(C2CCC2)c1)c1ncc(C(F)(F)F)cc1Cl	899346563	QACVPVXRHYBUPH-NYYWCZLTSA-N	352.747	4.739	50	20	FJGD	
CCCCC(C)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	916272911	IONKZYFGNIIYSJ-UHFFFAOYSA-N	354.479	4.691	50	20	FJGD	
O=C(NN=Cc1ccccc1OCc1ccccc1)c1c[nH]c2ccccc12	916287758	MTMLHWQYYKAIDX-UHFFFAOYSA-N	369.424	4.511	50	20	FJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)c3ccsc3)c2C)cc1	917622753	WQSQMHRWLUROMW-WQRHYEAKSA-N	362.454	4.954	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)nc2ccccc21	921259318	NRUQHPOCKNWQDH-GXDHUFHOSA-N	357.335	4.579	50	20	FJGD	
N#C/C(=C/c1c(F)ccc2sc(C(=O)O)cc12)c1ccc([N+](=O)[O-])cc1	1776131406	QAXAXQUCGYVUBX-XFFZJAGNSA-N	368.345	4.711	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(Cc2ccco2)c1C	7157019	BAQYJIYBGOAKPC-XDHOZWIPSA-N	359.429	4.600	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC(C)C	7157021	KVQNVQIHTVBLDT-WOJGMQOQSA-N	364.445	4.584	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c(Cl)cccc1Cl	128804435	XIHQMAYZDAIQNB-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1	128874507	PPWILHIDHQSDFK-BDAKNGLRSA-N	372.284	4.656	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	150783315	ZRUHBRIZBNWZBR-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccccc3C)cc2)cs1	193201082	IMKQMNPQNODFLL-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	195201770	RHHJVYKMYTZCLO-OQLLNIDSSA-N	362.341	4.530	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCC(C)C)cc2)cc1	211708579	MTZGXTJCGHJNID-JXAWBTAJSA-N	364.445	4.666	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)cc1	212144530	AXBNYPUTGZNQPJ-SILNSSARSA-N	374.484	4.611	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1cccc2ccccc12	726702903	NMKDXYUQJFPZLY-CYBMUJFWSA-N	371.387	4.829	50	20	FJGD	
Cc1cc(OC(=O)[C@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-]	741887566	IXCFWDBZGUIVKF-LLVKDONJSA-N	353.296	4.631	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1csc2ccccc12	752058768	VGYJMOMKRFBUCN-NWFCWYBLSA-N	350.418	4.825	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccccc1Oc1cccnc1	752809392	ADXZJZDUGTVGKE-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CC[C@H](C)N(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)CC	767517450	VNZAEOHNWODPKI-QJWUCOMKSA-N	373.541	4.645	50	20	FJGD	
Cc1cc(NNC(=O)c2cccc3ccsc23)ccc1Br	768310470	CNYRQWLHHKHOMR-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1	775559658	VCHMGOZGDDHCEK-NBVRZTHBSA-N	357.413	4.626	50	20	FJGD	
COc1ccc(NNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nc1	782006488	KNIJIUKTSCNCEG-UHFFFAOYSA-N	362.393	4.654	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790558217	GJUPWQCCHJZQBQ-STQMWFEESA-N	374.847	4.616	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc(Cl)ccc1OC1CCCC1	808248881	VXFOOIRLVXNCIK-UHFFFAOYSA-N	350.673	4.537	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12	811627247	WNWGOCIRBLVPRB-LFYBBSHMSA-N	356.303	4.682	50	20	FJGD	
COc1ccc(-c2ocnc2C(=O)NNc2c(C)cccc2C(C)C)cc1	812767616	MLAAIZYSDMYHNF-UHFFFAOYSA-N	365.433	4.539	50	20	FJGD	
C[C@H]1C[C@H](CO)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	817313738	UEQLGHOJMKQDBD-QWRGUYRKSA-N	374.375	4.826	50	20	FJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCNCC1	841190004	LDNTYMHMMUEQED-UHFFFAOYSA-N	359.364	4.560	50	20	FJGD	
CC[C@@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CC1	849463731	KZOLQGGIJSUWIR-GFCCVEGCSA-N	365.389	4.811	50	20	FJGD	
CC1(C#N)CCN(/C(=C/C#N)c2ccc(Br)c(Cl)c2)CC1	851912564	MORZHOJHWXOWBH-SYZQJQIISA-N	364.674	4.593	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCCC#N)c(C)n1C1CCCCC1	914622328	JSDUGAYZAOUBSB-RGEXLXHISA-N	353.466	4.754	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1ccc(Br)s1	916354888	QCQJSCDFYIHSKG-GHMZBOCLSA-N	355.301	4.587	50	20	FJGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1	1319136102	LCMDUXPIBPYSIA-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1	160636004	FDNVJAWEOBGFJR-UHFFFAOYSA-N	373.815	4.518	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc(Cl)c1OC	169954473	JXBSPLSOJUUPAJ-ZROIWOOFSA-N	367.836	4.698	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-c2ccccc2Cl)o1	175487119	REBKVDHHHYGRMC-UHFFFAOYSA-N	366.726	4.774	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(Cl)cc2Cl)[nH]c(C)c1C(C)=O	178874446	QXGRGTUMIMOPIP-UHFFFAOYSA-N	368.264	4.542	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1OC(C)C	207896206	HAEJHKWGBYKHFM-WJDWOHSUSA-N	360.413	4.754	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cnn(-c4ccc(F)cc4)c3)c[nH]c2c1	728175678	FBCJUJDHOPEKBH-SXGWCWSVSA-N	370.387	4.591	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)[C@H](c2ccccc2)CO1	742970972	IXMHFDASZMWRIA-NXHRZFHOSA-N	365.564	4.689	50	20	FJGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2ccc(Cl)cc2Cl)c1	748018071	HLLWWDIZEAXDKD-UHFFFAOYSA-N	364.276	4.659	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(OCC(F)F)cc1	748437691	XQOYOPZFRZIXSL-AWEZNQCLSA-N	361.479	4.983	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3cc(C)ccc3F)ccc2c1	760137062	PBEWMSRYUJWPCN-AWEZNQCLSA-N	352.409	4.543	50	20	FJGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc2sc3ccccc3c2s1	768492330	NSTYLXDINLIQDC-UHFFFAOYSA-N	364.455	4.749	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	771693126	QQNMNDANZYSOFZ-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H](C)c1ccc(C)o1	787265929	IQQHXDHWLMQLDS-CQUHBBLWSA-N	352.434	4.591	50	20	FJGD	
CC1(CO)CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	792878360	VXYXUUCEFSNUSY-UHFFFAOYSA-N	363.618	4.803	50	20	FJGD	
CC1(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	810404779	YDZSOTGVXMQMBG-UHFFFAOYSA-N	372.359	4.731	50	20	FJGD	
CCc1nnc(-c2ccc(NCc3ccc(OCCCCl)cc3)cc2)o1	811471587	SQYUSIGAVHZGBP-UHFFFAOYSA-N	371.868	4.919	50	20	FJGD	
N#C/C(=C\c1c(OC(F)F)ccc2ccccc12)c1ccc([N+](=O)[O-])cn1	812242446	QJFMQHFIDCPBCT-UKTHLTGXSA-N	367.311	4.809	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(O)c(Cl)c1	825211803	JWYZETWAUGDHOM-UHFFFAOYSA-N	366.031	4.763	50	20	FJGD	
COc1ccc(-c2ccccc2C)cc1/C=C(\C#N)C(=O)C1CCOCC1	840719054	HVDNIASIPUBZDK-XSFVSMFZSA-N	361.441	4.573	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1cc(F)cc(Cl)c1	855618817	RXUNOILLDLCYDF-UHFFFAOYSA-N	350.821	4.551	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3nccs3)s2)cc1	920481109	WYNAPYQCVVBKMI-GXDHUFHOSA-N	351.456	4.726	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	920991312	QWZHUFSVBBZSNQ-GXDHUFHOSA-N	371.223	4.551	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)c2ccc(F)cc2n1	1116224301	BCAKMPUMGBKHQE-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1CC[C@H]2C[C@H]1CN2	1553311231	LMMDRLGUJTXNRI-XHVZSJERSA-N	371.375	4.606	50	20	FJGD	
N#C/C(=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1	96792413	AKMXOUGZCLXXJB-PDGQHHTCSA-N	353.830	4.832	50	20	FJGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNc1nccc2sccc12	734248956	CVUFYQGSFXKCDG-KRWDZBQOSA-N	371.531	4.697	50	20	FJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1C1CC1	751128997	ACHLPMXCBKPFQB-MRXNPFEDSA-N	358.441	4.635	50	20	FJGD	
C[C@H]1C[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1C	752981419	SDXARKUCWFQVCU-CMPLNLGQSA-N	373.391	4.948	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1OC(F)F	753344058	SSHGAWXUUAKTGM-CSKARUKUSA-N	370.758	4.627	50	20	FJGD	
Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](Br)C(C)(C)C)c1C	781093380	HMKVDEMJZDZQHU-JKSUJKDBSA-N	352.316	4.777	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)C3CCCC3)cs2)cc1	781555262	DOMYPWHNUXHLLQ-MHWRWJLKSA-N	352.459	4.697	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1)c1ccccc1	787177109	FYUJZUASQZFMIT-CWDSQJGSSA-N	373.481	4.985	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)C3CCOCC3)ccc21	794957289	DWGMZFXJZBDFLZ-AQTBWJFISA-N	358.441	4.717	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	800623614	ZMQGJLBOQJZDNK-BRWVUGGUSA-N	362.311	4.643	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c(OCCC)c1	812245440	RSFXZYBMYWSWFK-LFIBNONCSA-N	367.405	4.632	50	20	FJGD	
Cc1ccn(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c(=O)c1C#N	829443943	MBOXDDVQTLKAMJ-UHFFFAOYSA-N	368.553	4.599	50	20	FJGD	
Cc1ccc(NNC(=O)c2csc(Br)c2C)cc1Cl	1321408557	NVSWSDHFJWEVMV-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1cc2ccccc2o1	44025894	VBILJFPIICAKBK-NTEUORMPSA-N	357.394	4.741	50	20	FJGD	
Cc1c(C(=O)NNc2ccnc3ccccc23)sc2cccc(F)c12	106926058	IBYDYSSQTGFCOV-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccccc3Cl)c2C(C)C)cc1	158228763	YIUPLZKORHNOIV-UHFFFAOYSA-N	368.868	4.714	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1ccccc1C(F)(F)F	172674893	PCCRBAPVHKEJPE-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1Br	212422247	ZKQVGMWWQVKSPH-WQLSENKSSA-N	361.626	4.648	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	254480440	PXHZXWXWYWGIIK-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CC(C)(C)[C@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	729474533	HZILEXHKKPFEOM-OAQYLSRUSA-N	355.462	4.511	50	20	FJGD	
CCC(Cc1cccs1)=NNC(=O)Cc1nc(-c2ccccc2)cs1	730947915	OVFYCUFGRIFGOM-UHFFFAOYSA-N	369.515	4.539	50	20	FJGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccnc2cc(Cl)ccc12	743297512	NXBHULULDPVEPO-ZDUSSCGKSA-N	371.843	4.739	50	20	FJGD	
CSC(C)(C)CNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	743795124	VXJLCGGJMLMSTM-LDADJPATSA-N	373.566	4.775	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccccc3Cl)c(F)c2)cc1	748308160	SFRIJUCEJCMASH-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Oc2ccccc2Cl)nc1	749274471	PVJNFDCXTDVAJY-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2F)c(C)c1	758017440	MULFPISBMJCZQF-MYTPONEHSA-N	352.384	4.992	50	20	FJGD	
O=C(NCCOCC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762967443	BJDQATCDIMPXSA-UHFFFAOYSA-N	360.348	4.892	50	20	FJGD	
Cc1nnc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	762976325	SDQGQFTVLAYFTG-UHFFFAOYSA-N	374.360	4.826	50	20	FJGD	
O=C(NNc1ncccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl	769922920	HVMXFQBZHOKYBC-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CCc1nn(C)cc1CNc1ccccc1S[C@H](Cl)C(F)(F)F	770738473	VHPLLNHKYQDPDV-AWEZNQCLSA-N	363.836	4.814	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(C)cccc2F)cc1NC(=O)OC(C)(C)C	771689069	SYCWSZIYIYKWKK-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)ccc1C	772171028	BHKCSTMZAZZCNC-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-]	774561168	PGNMASYLIIKLQB-SDQBBNPISA-N	366.270	4.825	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1cccc(C(F)(F)F)c1	780373860	HXGZPHRKELEQEH-GDNBJRDFSA-N	373.330	4.657	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)s2)c1C	783493861	TYTZAORVHWKQRQ-RQZCQDPDSA-N	371.506	4.745	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1OC(F)(F)F)C(=O)c1cccc(F)c1	789147913	LRNGASGTEXYDSD-FLIBITNWSA-N	353.246	4.653	50	20	FJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1csc(-c2ccc(Cl)cc2)c1	794199645	QXTDUTWKTWGPDY-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)ccc(Br)c2F)s1	799893247	QDADXOSRFHJDHL-RMKNXTFCSA-N	368.202	4.887	50	20	FJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3ncccc3F)c2c1	804212951	FEAMVISSLSJTBS-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc([C@@H]2CCCN(C)C2)c1	857262357	HUMVYDORIJMOKX-HXUWFJFHSA-N	365.521	4.685	50	20	FJGD	
CC(C)Oc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	914493412	XVQLZPINURNALX-KRWDZBQOSA-N	353.553	4.804	50	20	FJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(F)c1	22867090	DUXUJORLIVTODN-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC	60790219	JWSGQTDTYLCHPH-YVLHZVERSA-N	372.424	4.921	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3cc(Br)ccc3o2)c1	159115264	BBYTZSQDHWNHMZ-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1C	178030024	MSMPFCUUYBCGNP-RIYZIHGNSA-N	366.852	4.835	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1Oc1ccccc1C#N	182363886	OGADYRBEQVFWEK-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186820803	YCLOATSHRVFIKZ-VIFPVBQESA-N	374.375	4.833	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1OCCCC#N	194769676	VVCSZVWJIJBDJS-DEDYPNTBSA-N	374.440	4.785	50	20	FJGD	
CC(=NNC(=O)c1ccncc1)c1ccc(-c2ccccc2Cl)s1	254498015	MBGCNTUVZRLUIF-UHFFFAOYSA-N	355.850	4.618	50	20	FJGD	
Cc1cc(NNC(=O)c2csc3ccccc23)ccc1Br	734251502	RUIAYRGYYKMLJE-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC	749453399	SMXVHWBABOQVQD-YHZJOHHESA-N	361.445	4.823	50	20	FJGD	
CCc1cccc(C)c1NS(=O)(=O)c1ccc(CCCCl)cc1	751262053	ZMLQCXPZCBJDDI-UHFFFAOYSA-N	351.899	4.530	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1F	752810576	CBEBLYPFJRBCLI-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
CCCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccccc1C	760104480	OBMVHLMTZGCGQW-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc(Cl)cc1F	761387389	WGVQJCUWCORZDP-YHYXMXQVSA-N	363.150	4.933	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1)c1ccccc1	761387821	YMAJPCNNKLQZLE-VOMSXAGXSA-N	364.392	4.941	50	20	FJGD	
Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCC[C@@H]1CCSS1)CC2	773996959	QVKHWWLNBMGZDP-CQSZACIVSA-N	366.508	4.506	50	20	FJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c1	776193218	PQPMBJSNJIDTIY-PTNGSMBKSA-N	355.340	4.643	50	20	FJGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	780373797	HEDAPGNPVYMXGN-WJDWOHSUSA-N	355.315	4.507	50	20	FJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C)c2cccc3ccccc23)cc(C#N)n1C	782630087	YMAYQSLKZBHVFJ-VXIUPONVSA-N	369.424	4.570	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1	797345284	NWGUEQYYYCOADW-WYMLVPIESA-N	365.458	4.770	50	20	FJGD	
CC[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	850660370	HCQPWEXDOJFPBG-LBPRGKRZSA-N	372.359	4.587	50	20	FJGD	
O=C(NCC1=CCCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	850686100	PPDBYRGWOOKEBX-UHFFFAOYSA-N	370.343	4.509	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1csc(-c2ccc([N+](=O)[O-])nc2)n1	864541223	GRGIGSXNPNATQO-UHFFFAOYSA-N	351.504	4.635	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1	915981623	UFECBYLKMKHJHN-GHXNOFRVSA-N	350.708	4.914	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)c3nc(N)c4ccccc4n3)s2)cc1	1318527604	BMPKHRCVHMRVOE-GDNBJRDFSA-N	369.453	4.708	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)C(=O)c1ccc2c(c1)OCO2	1318981922	RWAXELHHFVXLRJ-YBEGLDIGSA-N	359.406	4.934	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C	8336362	UJAVPKODXZRPQA-NTEUORMPSA-N	360.335	4.568	50	20	FJGD	
C[C@H](OCC1CC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	68377951	RSNGDRDBEHCLTB-XPTSAGLGSA-N	367.820	4.660	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C	125449205	HHXCTWSUVUAGKM-MLPAPPSSSA-N	368.443	4.856	50	20	FJGD	
Cn1cc(CCC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	180335029	JQEUSNVKXMHZTJ-UHFFFAOYSA-N	355.332	4.649	50	20	FJGD	
CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183489247	RDSHBTMXYMNMLF-ZJUUUORDSA-N	374.375	4.833	50	20	FJGD	
C[C@@]1(O)CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184415630	LNLJQLOIXNELPG-CYBMUJFWSA-N	360.348	4.723	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	192538776	YHBSWPLUVLGOCS-XNTDXEJSSA-N	362.820	4.584	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1C1CC1	276835129	ITARJTCKPWZLAM-JTQLQIEISA-N	367.280	4.795	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(OCCN3CCCC3)cc2)c1C	727655475	URIXWHDDBJBATN-PGMHBOJBSA-N	374.484	4.568	50	20	FJGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)o1	732763605	MBPQNNGZSXBZAJ-JXFKEZNVSA-N	374.440	4.599	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccc3ccccc3n2)c1C	735799093	LNVOBVZQZPUCNQ-XSFVSMFZSA-N	372.472	4.633	50	20	FJGD	
CCc1ocnc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	739500212	YHQZYLGIAARPCG-ZDUSSCGKSA-N	364.776	4.709	50	20	FJGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3cc(Cl)cc(Cl)c3)cnc12	741468873	WGQBHYUJTAFQSG-QPEQYQDCSA-N	356.212	4.739	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OC	749453635	URUTVHPTESELRT-HNDQUVLASA-N	368.408	4.557	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1c(F)c(F)cc(F)c1F	752056292	AOIVWDSGGOTSEW-VIFPVBQESA-N	367.433	4.573	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2nn(CC)c3ccccc23)c1C	769726104	OSSMPFRDDFDOEF-LGMDPLHJSA-N	360.461	4.674	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1ccc(Oc2ccc(Cl)cn2)cc1	770040141	IAPCIEAVYVKJOT-UHFFFAOYSA-N	372.787	4.815	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1C	772176804	QHRLTDASUWTTIO-NTUHNPAUSA-N	361.228	4.856	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cccc(Br)c2Cl)c(C)c1	780590511	ORMYMELWIYBSFL-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
COc1cc(/C(C#N)=C/C(C)=C/c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	787184074	MUCWYPWIIMJOEV-CTWANCMXSA-N	365.345	4.522	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OC)c1	794874696	NKBQWDTVBIFADV-MDWZMJQESA-N	355.356	4.549	50	20	FJGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)c1ccc2ncccc2c1	794883757	DETJUGRNWCRZHS-NTUHNPAUSA-N	369.243	4.849	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl	806564873	FUPRGXXSHRQYCH-WTKPLQERSA-N	374.149	4.886	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)nn(-c2ccccc2)c1C	812767590	LIPRFDXLGWFVAC-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
Cn1c(/C(C#N)=C\c2cn(CCC#N)c3ccccc23)nc2ccccc21	915849167	GPEUSGKZOJMKLO-SSZFMOIBSA-N	351.413	4.506	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cnc(N4CCCC4)nc3)n2)cc1	915987339	DBUVTMLJHBXPDF-ZDLGFXPLSA-N	373.485	4.573	50	20	FJGD	
O=C(CCCc1ccc(Cl)cc1)NNc1ccccc1C(F)(F)F	916162696	DSBGERDDIRQKHT-UHFFFAOYSA-N	356.775	4.825	50	20	FJGD	
O=C(NN=C1CCCCCC1)c1ccccc1OCc1ccc(F)cc1	916295564	WYUOHIBVQDDBGD-UHFFFAOYSA-N	354.425	4.845	50	20	FJGD	
COc1cc2c(cc1NC(=O)NNc1cccc(C#N)c1)oc1ccccc12	920929977	ZKZIHQCALIWVQM-UHFFFAOYSA-N	372.384	4.615	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	6935886	VDOFPKGEBSBBDK-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
Cc1noc(C2CC2)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	128934615	PXYXKKUXCGLAKS-UHFFFAOYSA-N	360.628	4.578	50	20	FJGD	
O=C(NNc1ccccc1Br)c1sccc1-c1ccccc1	153498583	MTSRVTGCRVJVRZ-UHFFFAOYSA-N	373.275	4.935	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	184417397	KJGVKELDYGIJQS-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C#N)cc2)cs1	194577957	KVNIZJYLJXLJRR-CXUHLZMHSA-N	358.382	4.654	50	20	FJGD	
Cc1ccncc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	729404564	CYTTYXOXFGMJJB-XDHOZWIPSA-N	362.477	4.859	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@@H]1c1cccc(Cl)c1	729515067	VAKNSMFNPSMLKQ-HZPDHXFCSA-N	372.255	4.788	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C(C)CSC(C)(C)C)cc1OC	729636547	LGJHCZHMWHXZHQ-UHFFFAOYSA-N	366.527	4.512	50	20	FJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Br)C(C)(C)C	768034260	QQGWNIUJYUTSQD-RISCZKNCSA-N	369.328	4.686	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772177626	XLVSNAZPWHQAJV-YSTIZTGUSA-N	371.383	4.941	50	20	FJGD	
Cn1c(C(=O)NNc2ccc(C(C)(C)C)cc2)c(Cl)c2ccccc21	781041760	LEBMFQWYYMMPNM-UHFFFAOYSA-N	355.869	4.886	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccn2Cc2ccccc2C#N)c1	782197221	QBYZNECGVAIASH-LPYMAVHISA-N	365.436	4.815	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)cc1	782199867	JWVKFTPFOXBWDJ-QENILXLESA-N	354.431	4.505	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)C(=O)OC1CCCCC1	834751167	KNHCUVKWUYCNSY-UVTDQMKNSA-N	356.422	4.732	50	20	FJGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-c2ccccc2Cl)s1	873950373	FWACYBZYNIVSQQ-UHFFFAOYSA-N	369.877	4.631	50	20	FJGD	
N#Cc1cccc(NNC(=O)N[C@H](CCc2ccccc2)c2ccccc2)c1	918231818	TZCPFXGTBLGMAY-JOCHJYFZSA-N	370.456	4.558	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCC#N	7352514	MDRSHOLQCXECME-GZTJUZNOSA-N	373.437	4.785	50	20	FJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1	11285891	REEGAFWIFVHUPW-UKTHLTGXSA-N	356.303	4.997	50	20	FJGD	
CCOCCCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	78816124	ISTQLTPVQQAEGU-ZDUSSCGKSA-N	355.809	4.661	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1c(Cl)cccc1Cl	178297898	FQRRJWWZMYSZIK-RUDMXATFSA-N	371.145	4.956	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Oc2ccccc2)cc1	178495802	SWCSATLKBNTNNA-UHFFFAOYSA-N	355.397	4.784	50	20	FJGD	
O=C(NCCCn1ccnc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	181777227	GZOBJDJUIPDHGR-UHFFFAOYSA-N	370.347	4.752	50	20	FJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2cccc3c2CCCC3)s1	187091276	BEANEGJAXOJEJB-UHFFFAOYSA-N	351.475	4.687	50	20	FJGD	
O=S(=O)(Nc1ccncc1)c1cccc(S(F)(F)(F)(F)F)c1	188022296	BHXCMGPSTMBPLJ-UHFFFAOYSA-N	360.329	4.540	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1SC	195733648	SZIWZAQLLZUQOP-LCYFTJDESA-N	358.850	4.616	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1CC(C)C	211506289	DEMVZAKMJQRIQX-YVLHZVERSA-N	355.869	4.960	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OC	215978492	GCWJPDIRFZOWPK-GDNBJRDFSA-N	370.836	4.601	50	20	FJGD	
O=C1/C(=C/c2cnn(CCCl)c2)CCSc2ccc(Cl)cc21	255881531	XGDDZFOVBHXXFH-KPKJPENVSA-N	353.274	4.537	50	20	FJGD	
COCc1cc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)no1	297898797	ROFJPPCZWIGGLE-CYBMUJFWSA-N	366.792	4.652	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	588507077	MWPWYETXDLTSFG-ZHZULCJRSA-N	369.424	4.611	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2cccc3ncccc23)o1	734299181	JXXIXTWQFQFOGK-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)cc1	734729124	MLJRHFIXFKAQEJ-FMNVXAMXSA-N	357.356	4.808	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)c3nc4c(C)ccnc4[nH]3)s2)cc1	741469955	PEWZMLRYIJJJIM-DHDCSXOGSA-N	357.442	4.762	50	20	FJGD	
O=C(NNC(=O)c1ccc(Cl)s1)Nc1ccc(-c2ccccc2)cc1	743825963	MGUNDBQSFKOFIR-UHFFFAOYSA-N	371.849	4.535	50	20	FJGD	
C/C(=C\C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(C(F)(F)F)cc1	746703108	IDKYQYQHZODULP-RMKNXTFCSA-N	374.284	4.669	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1COc1ccccc1	748577338	FTVVXTMFNIHNDE-UHFFFAOYSA-N	372.468	4.901	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F	750906213	QMDZFXXXRPKXNV-USFPABIYSA-N	366.327	4.960	50	20	FJGD	
CCSc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	751998303	UYVBRZOIYYNYKY-VMOJBDSFSA-N	354.450	4.722	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	752925604	DNORRNYPGSPYTI-WJDWOHSUSA-N	363.417	4.803	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(\C#N)C(=O)Nc1ccccc1	755032382	NAOBISUSUJONGH-UKTHLTGXSA-N	373.275	4.717	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)oc3ccccc23)cc1	761177025	QZHSNTPTDCARGU-BENRWUELSA-N	352.777	4.640	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccccc1NCc1ccccc1Cl	765004088	DWHCMBFVOBIGAD-UHFFFAOYSA-N	369.827	4.848	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(F)cc2F)c1	772817809	LKQINIHBQFEDOH-UHFFFAOYSA-N	368.383	4.787	50	20	FJGD	
O=C(NNc1cccnc1Cl)C1(c2c(Cl)cccc2Cl)CCC1	774017255	JOPZIAXEHGHUTR-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1ccc(F)c(Cl)c1	774134620	LIKJMCJVQQHJFJ-VZUCSPMQSA-N	365.147	4.831	50	20	FJGD	
C[C@]12CCN(C(=O)CCCC[C@@H]3CCSS3)C[C@H]1C2(Cl)Cl	791179963	IBVSDHQFFPUESR-BZPMIXESSA-N	368.395	4.743	50	20	FJGD	
CC(C)(C)NC(=O)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811501727	UQVXQRHJUUQIIT-UHFFFAOYSA-N	374.912	4.835	50	20	FJGD	
Cc1ccc(NNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)cc1	812459013	RJHGPYBHCVRQAB-LBPRGKRZSA-N	365.246	4.534	50	20	FJGD	
CCn1c(SCCO[Si](C)(C)C(C)(C)C)nc2ccsc2c1=O	821074628	LRSWMPZLZMZARA-UHFFFAOYSA-N	370.616	4.592	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](O)CC1	836512663	SUWBLZBLWDORSD-LLVKDONJSA-N	360.348	4.723	50	20	FJGD	
C[C@H]1C[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1	841179548	POQJQCVZUWBLMA-ONGXEEELSA-N	359.364	4.606	50	20	FJGD	
CC(C)(C)c1nnc(CN2CCCC[C@H]2CO[Si](C)(C)C(C)(C)C)o1	844350061	NKKLMTBJUFQHAN-HNNXBMFYSA-N	367.610	4.743	50	20	FJGD	
NC1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	850732369	FAPWAWZZTFAUMW-UHFFFAOYSA-N	359.364	4.737	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2Br)c1C	915857817	ZZDQTTWZJUZHTB-WJDWOHSUSA-N	369.262	4.843	50	20	FJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1ccccc1F	178901694	WRLXFEVVJHHAEH-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CCCOc1c(Br)cc(/C=C(/C#N)c2ccccn2)cc1OC	212109090	GLYDJESHRAXWAS-ZROIWOOFSA-N	373.250	4.706	50	20	FJGD	
O=C(Cc1ccc(Cl)cc1Cl)NNc1ccccc1C(F)(F)F	301217754	GSUMVMSIRPLDTJ-UHFFFAOYSA-N	363.166	4.698	50	20	FJGD	
O=C(NNc1ncccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1	734246431	VOCRCDHISSUCTQ-KRWDZBQOSA-N	369.877	4.712	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)cc1	734305313	QCGVNHUEEUAOQQ-YBFXNURJSA-N	373.481	4.650	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cccc(OC(F)F)c1	747063936	RSENSKOMXBEUGS-BOPFTXTBSA-N	370.399	4.958	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cnc(-c3cccs3)s2)cc1	751511783	AEAUOBJJVXTENK-OQLLNIDSSA-N	372.496	4.518	50	20	FJGD	
C[C@]1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCOC1	752985914	WXEABBMJBYZBFD-CYBMUJFWSA-N	360.348	4.892	50	20	FJGD	
CC(C)c1ccccc1-n1c(SC/C=C\C#N)nnc1-c1cccnc1	763298995	RJNYNSZTDLLVKU-WAYWQWQTSA-N	361.474	4.625	50	20	FJGD	
CC(C)(C)Oc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)n1	767380400	QXGRNPQQJLIYFT-OAHLLOKOSA-N	368.568	4.589	50	20	FJGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc2ccccc2n1	777463135	DBRFIGNGHQLUHQ-KGAUPUERSA-N	361.445	4.569	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccn(-c3ccc(Cl)cc3)n2)cc1	780804048	ZQNNAVUWSDOHBS-UHFFFAOYSA-N	368.868	4.580	50	20	FJGD	
O=P(CCN1CCCC2(CCCC2)C1)(c1ccccc1)c1ccccc1	782636220	FUNRUHCWAMTZOX-UHFFFAOYSA-N	367.473	4.657	50	20	FJGD	
COc1ccc2cc([C@@H](C)OC(=O)/C(C#N)=C/c3ccc(O)cc3)ccc2c1	784020865	LMBLJUJULSFSRQ-PZUDMAOCSA-N	373.408	4.765	50	20	FJGD	
C[C@@H](Cn1cccn1)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788016568	JFKCIMFHUXMINZ-KRWDZBQOSA-N	359.590	4.583	50	20	FJGD	
COc1cc(NNC(=O)CSc2ccc3ccccc3c2)ccc1Cl	790187653	RNTTWZAMPNNYMI-UHFFFAOYSA-N	372.877	4.737	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccnn2-c2ccccc2C)c(C)c1	794870575	VTXBHOROXAZUHU-UYRXBGFRSA-N	370.456	4.652	50	20	FJGD	
CCCCCC[C@](C)(CCC)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803437117	IPBVDUNTQZAYBU-NRFANRHFSA-N	357.498	4.748	50	20	FJGD	
Cc1ccccc1NNC(=O)c1sc2ccccc2c1Br	810019675	NYYWCYCUILIULE-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(-c2cnn(C)c2)c1	812246731	SSZKKIDGWMHCJQ-NVNXTCNLSA-N	368.362	4.874	50	20	FJGD	
O=C(NN=Cc1sc(Sc2ccccc2)nc1Cl)C1CCCC1	814801452	JYKDEYKLBAJKNU-UHFFFAOYSA-N	365.911	4.588	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2cccnc2Cl)c1	840476613	IEJWASATLHQFPI-UHFFFAOYSA-N	361.898	4.835	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1ccc2c(c1)CCC(=O)N2C	840722078	GYULIVFHGHVMRP-QGOAFFKASA-N	370.456	4.590	50	20	FJGD	
Cc1ccc(OCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c[n+]1[O-]	853686564	APIHPPGNCZPLCE-UHFFFAOYSA-N	359.542	4.729	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2c(F)cccc2F)c1C	914485399	TXIGIDKCXNZFSO-RQNDZEIBSA-N	371.431	4.578	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(F)cc2Cl)cc1	916612819	DUMKJLMHBSIJAV-DHDCSXOGSA-N	359.784	4.528	50	20	FJGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)Nc1ccc(C(=O)O)cc1	917516330	SPHCNUWIJZVCCQ-YBEGLDIGSA-N	374.421	4.659	50	20	FJGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNc3ccc(C)c(Cl)c3)c2C)c1	1253320656	IAFYHUGKMYJINR-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)c(SC)cc1OC	1329340493	VXTSVTDRAFISCE-OQLLNIDSSA-N	353.443	4.524	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2noc(C3CCC3)n2)CC1	1331395989	KHSYZUIATHYHEF-UHFFFAOYSA-N	365.594	4.571	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccco1	8200529	PXNXCODKIXDSMK-NBVRZTHBSA-N	365.392	4.922	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc([N+](=O)[O-])c1	175630259	GFWUGEDSZFEFGF-UHFFFAOYSA-N	355.419	4.545	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)s1	177891523	FLAJCPMZESVATH-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(F)c2)c(C)c1	178808498	DHKVOWDGFSGGTG-NVNXTCNLSA-N	374.362	4.898	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)Cc2csc(-c3cccs3)n2)cc1	181135587	LHXVLYOXHKUBJZ-UHFFFAOYSA-N	371.531	4.855	50	20	FJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	731488373	FGKGGYWZDFDELL-UHZMKECTSA-N	368.811	4.543	50	20	FJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	740763954	JTCNQXNVCNZKED-GXDHUFHOSA-N	367.330	4.799	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1Cl	741468033	QVMBZALALKSFAY-RIYZIHGNSA-N	350.805	4.928	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3cc4ccccc4o3)c(Cl)nc12	749830511	NSJMGKSPXOLLTO-UHFFFAOYSA-N	363.804	4.707	50	20	FJGD	
CC(=NNC(=O)c1ccccc1)[C@H](C)Oc1ccc(Cl)cc1Cl	749853654	RZAQHXJKVPTAIY-LBPRGKRZSA-N	351.233	4.567	50	20	FJGD	
CN(Cc1csc(Br)c1)/C(=C/C#N)c1ccc(F)cc1	750606790	JOKAPSFRFYEHGP-MKMNVTDBSA-N	351.244	4.646	50	20	FJGD	
CCCc1c(C(=O)NNc2c(C)cc(C)cc2C)cnn1C1CCCC1	752632174	KZBSOQLVOGPJJJ-UHFFFAOYSA-N	354.498	4.633	50	20	FJGD	
CC1=C(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C(=O)OC1(C)C	762519008	QBYZNGBJPUCTBH-UHFFFAOYSA-N	371.327	4.934	50	20	FJGD	
N#Cc1ccc(C2=CCN(C(=O)CCCC[C@H]3CCSS3)CC2)cc1	767983795	SAHHHCIWIBJWOX-IBGZPJMESA-N	372.559	4.888	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2OC)c1C	769279772	YTRRQOWGTKEFSK-GZTJUZNOSA-N	369.440	4.598	50	20	FJGD	
CC(C)c1ncc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)s1	772950046	KCXMZYLUSYUAOW-UHFFFAOYSA-N	364.685	4.984	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(SC(F)(F)F)cc2)ncn1	773174913	BCERULYNAMYCCY-WDZFZDKYSA-N	353.394	4.875	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)c1ccccc1OC(F)F	775639037	KPGPGZYZQLQZHJ-XFFZJAGNSA-N	351.711	4.870	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1nc2c(s1)CCCC2	776264804	IYYXEPRUBRIDJU-XFXZXTDPSA-N	357.866	4.529	50	20	FJGD	
C[C@@H]1C[C@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCO1	776300484	ZRDCOMHQGHFYDQ-GPCCPHFNSA-N	367.820	4.660	50	20	FJGD	
COC(=O)Nc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1F	783085996	CWRQOYIXRTWZIH-GFCCVEGCSA-N	372.487	4.657	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1OC(F)(F)F)C(=O)c1ccc(F)cc1	789129717	XSPCKCNNLVQLTL-FLIBITNWSA-N	353.246	4.653	50	20	FJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2ccc3ccccc3n2)c1	790013777	JSQIUELTBSTWDY-INIZCTEOSA-N	363.461	4.661	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)CCCc1ncc(-c2ccccc2)o1	799756704	JJNCWTMVSJHTRN-UHFFFAOYSA-N	363.461	4.678	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	802823936	KRHCDNLHAOGCEI-UHFFFAOYSA-N	364.408	4.530	50	20	FJGD	
COc1ccc(C(C)(C)C(=O)NNc2c(C)cccc2C(C)C)cc1OC	812768876	LGURHDNXCBVHOX-UHFFFAOYSA-N	370.493	4.557	50	20	FJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2cccc(Cl)c2)cc1	861676576	HCFAQRZPZRJVIW-UHFFFAOYSA-N	364.832	4.636	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915954801	MCOFRJUIXIVLPI-UHFFFAOYSA-N	371.849	4.661	50	20	FJGD	
Cc1ccc(CNCc2cccc(S(F)(F)(F)(F)F)c2)c(=O)n1C	922069052	UBEFCHKPXWLUQF-UHFFFAOYSA-N	368.371	4.641	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(C3CC3)nc3ccc(F)cc23)cc1Cl	1319429823	BHHVRCDVHCZXKT-UHFFFAOYSA-N	369.827	4.970	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)c1ccco1	11295305	GTPJXAYXMKTANR-ZRDIBKRKSA-N	350.355	4.706	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(OC(F)F)cc2)sc2ccc(F)cc12	121737379	FLDQLGBDMLCJKE-UHFFFAOYSA-N	366.364	4.707	50	20	FJGD	
CCN(CC)CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184410783	VKGULJGFQDINBN-UHFFFAOYSA-N	361.380	4.807	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2cnc3ccccc3n2)c(OC(F)F)cc1C	588580830	RKGBOXZIWXVFJB-DHDCSXOGSA-N	351.356	4.912	50	20	FJGD	
Cc1csc(CCCCNC(=O)CCCC[C@@H]2CCSS2)n1	727109832	RKTLSHYASQDCKU-CQSZACIVSA-N	358.598	4.605	50	20	FJGD	
COc1ccc(NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1	729273143	ICFLRYKSQJYJLW-FQEVSTJZSA-N	364.470	4.672	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC	730588346	DMYJBMJEMZANGL-ATVHPVEESA-N	353.393	4.803	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1	743055926	NFQURCSSJSAPER-NZWVAMESSA-N	361.869	4.810	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cccnc1Cl	754480573	XRZMDHLGZKTFCG-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1C1CC1	766856323	RRBZTZZSHSQHEY-UHFFFAOYSA-N	369.223	4.775	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Nc2ncccn2)cc1	768331194	DAQRXVVXMFYJGD-MRXNPFEDSA-N	374.535	4.873	50	20	FJGD	
C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773235535	GFEFCYHVPFOGED-JOYOIKCWSA-N	372.359	4.587	50	20	FJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)Nc1ccccc1	790100570	FRXYJOJODXMDDK-TWGQIWQCSA-N	367.655	4.710	50	20	FJGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(Br)cc1F	790803961	FXVDZGKNLOBGES-UHFFFAOYSA-N	365.246	4.544	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	794942830	QOGLKCJMFGRAJQ-GHXNOFRVSA-N	372.808	4.940	50	20	FJGD	
COc1cc(NNC(=O)c2ccccc2NC2CCCCC2)ccc1Cl	795377475	KOAWSQDKPOVIBN-UHFFFAOYSA-N	373.884	4.850	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Br)cc1)c1ccncn1	800794917	UNVQCLPKUWTMCN-LFIBNONCSA-N	362.230	4.970	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(Cl)c2ncccc12	801183837	ZFTSTMKIHUJXCS-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
COC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	853008397	PMHJIAAIYXHHAY-KWZJRMENSA-N	356.491	4.918	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OC)c1C	914530398	RBXNMUQOODVKDY-BOPFTXTBSA-N	369.440	4.598	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)c1c[nH]c2cc(F)ccc12	915989792	DVTZGKLCWUHCFD-SDQBBNPISA-N	369.193	4.859	50	20	FJGD	
C[C@H]1CCCCC1=NNC(=O)c1ccccc1OCc1ccc(F)cc1	916294989	KXASIUADCXSCTG-HNNXBMFYSA-N	354.425	4.701	50	20	FJGD	
Cc1cc(OC(=O)c2nc(-c3ccccc3)oc2C2CC2)ccc1[N+](=O)[O-]	1524683942	XKYCOWHUPPUOSE-UHFFFAOYSA-N	364.357	4.655	50	20	FJGD	
CCN(c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1)C(C)C	110955086	OTFQXIVFGZZTFO-UHFFFAOYSA-N	365.399	4.697	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1OCCCC#N	144685314	DUPKQBHQFDCATK-RGEXLXHISA-N	369.424	4.990	50	20	FJGD	
O=C(COCC(F)(F)F)Nc1cccc(S(F)(F)(F)(F)F)c1	273944593	KYXUSUSQZDWQTA-UHFFFAOYSA-N	359.238	4.861	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	301242141	SRQSIBCDJYLXNH-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
N#CC(C#N)=CNc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	735027385	JWRWZEYVIDZFSB-UHFFFAOYSA-N	357.200	4.589	50	20	FJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)c1nc2cc(F)ccc2s1	737443407	IIGWEBDOQMEDGT-YHYXMXQVSA-N	354.797	4.801	50	20	FJGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(Br)cc2Cl)c1	740082910	YEKCRUPQFKCZGO-NSHDSACASA-N	367.674	4.658	50	20	FJGD	
CC(C)C[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	740818288	VTNAIZSFJSXWMG-OAHLLOKOSA-N	361.829	4.521	50	20	FJGD	
Cc1ccc(-n2cc(C(=O)NNc3cccc(C)c3)c(C(C)(C)C)n2)cc1	759072571	QRQUAPXOMWOICP-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2nc3ccc(F)cc3s2)cc1	761395192	ZYMPCLOQKUYVIC-LCYFTJDESA-N	351.406	4.543	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)c2cc(SC)ncn2)cc1Cl	773169923	BGCDYRVXMFXKBW-KMKOMSMNSA-N	352.246	4.578	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1C2CCC1CC2	777866293	WBRDNBMXHXWKAF-UHFFFAOYSA-N	363.373	4.660	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794964762	IDSZQJHSKDLKPS-UYRXBGFRSA-N	365.392	4.581	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)c1nc(-c2ccccc2)no1	814187581	NDVUFPJTEPVAKN-GEEUODSKSA-N	357.413	4.893	50	20	FJGD	
CN(CC(C)(C)CN)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190491	PYPNKQPNTQQVKQ-UHFFFAOYSA-N	361.380	4.793	50	20	FJGD	
CC1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC=CC1	848468516	WLMZUNUNVCLDHJ-UHFFFAOYSA-N	363.373	4.731	50	20	FJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1ccc(F)cc1	849838212	JOTUJWKEXFTOJC-UHFFFAOYSA-N	362.404	4.599	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	916650412	MMPVCAIPRZADLW-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
COc1ccc(CCc2nnc(CCCC[C@@H]3CCSS3)o2)cc1	1331854012	SAENNSBBJDAMLR-MRXNPFEDSA-N	364.536	4.730	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C)n1C1CC1	126337851	UHUXPRPOUYQYPX-UHFFFAOYSA-N	356.228	4.643	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(F)c(Cl)cc1Cl	132634005	QWZQCBLYBFBLCD-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccccc3F)sc2C)cc1	153293288	XRQARDYYLLFLPB-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2[nH]1	171880224	DGNQEWDCGKJSDG-MDWZMJQESA-N	373.397	4.659	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(\C#N)c3nc(-c4ccncc4)cs3)c2O1	172375685	NAOLCPPLFGZNMJ-LICLKQGHSA-N	359.454	4.983	50	20	FJGD	
Cc1nnc(-c2cccc(C(=O)NN(c3ccccc3)c3ccccc3)c2)o1	173821852	NKSKPXRNQHUEDT-UHFFFAOYSA-N	370.412	4.528	50	20	FJGD	
Cc1oc(-c2ccsc2)nc1CC(=O)NNc1ccc(C(C)(C)C)cc1	181132714	WKSFDRFTDYKGHF-UHFFFAOYSA-N	369.490	4.695	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1C	208507485	ZPCIRGJTTLMMCA-SMEDBKPVSA-N	367.468	4.781	50	20	FJGD	
O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NNc1ccccc1	732265521	JXYGYYVFZMXBEX-UHFFFAOYSA-N	366.848	4.605	50	20	FJGD	
CCN(CC1CC1)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	732642996	DCBRXSXLCUVQGL-DEDYPNTBSA-N	353.510	4.776	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(Br)cc3Cl)nc12	742433927	CTWXMQUBCADQKC-IZZDOVSWSA-N	373.641	4.746	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(F)c3)c3ccccc3n2)o1	748090200	CFMRTLYPDBMYOS-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)c1	748367012	YGXACXWPGDYTTH-UHFFFAOYSA-N	350.384	4.743	50	20	FJGD	
CC(C)OCc1cccc(NC(=O)NNc2c(F)cccc2Cl)c1	771128161	QEKMKVIUTUCSFA-UHFFFAOYSA-N	351.809	4.553	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccc(Cl)cc1F	773149501	HXZPLUPSPUKLDT-NVNXTCNLSA-N	363.779	4.726	50	20	FJGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccc(Cl)cc1	774341799	YENMVADSQILYGS-OAHLLOKOSA-N	353.853	4.702	50	20	FJGD	
O=C(NNc1c(F)cccc1F)Nc1ccccc1CCC(F)(F)F	775670679	QZSKJEHZFKKORU-UHFFFAOYSA-N	359.298	4.608	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)C(=O)c2ccccc2F)c1	777872385	SHOAIDQNQXIKHI-FOWTUZBSSA-N	351.377	4.571	50	20	FJGD	
CCOc1c(Cl)cccc1C=NNC(=O)c1ccc(Cl)cc1Cl	782169947	CTTPIIAEDLAWNW-UHFFFAOYSA-N	371.651	4.809	50	20	FJGD	
Cc1c(NC(=O)NNc2cccc(Cl)c2)noc1-c1ccccc1F	788840099	DQUTYZYCYAZZGX-UHFFFAOYSA-N	360.776	4.591	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)ccc1C#N	799494627	IPDXLIUNIXZTTC-NTUHNPAUSA-N	357.196	4.664	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cc3ccccc3o2)n1	810204958	IBLVMKOGGPOUOC-LCYFTJDESA-N	351.431	4.732	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)cc1	817921333	RZBJZESMSRTFFH-KRWDZBQOSA-N	366.383	4.741	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2ccccc2NC(=O)C(C)(C)C)cc1	837055164	AEXCIWNDDAIXHW-UHFFFAOYSA-N	353.466	4.552	50	20	FJGD	
C[C@@H]1c2ccccc2OCCN1C(=O)CCCC[C@@H]1CCSS1	856487142	PGPMFLPZSJEVAZ-HUUCEWRRSA-N	351.537	4.683	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)o2)cc1	915990524	VCXSWFLPIXYRCX-YVLHZVERSA-N	357.365	4.774	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1ccc(COc2ccccc2)o1	916360505	VDZAULSEUCVGDY-IRXDYDNUSA-N	366.461	4.935	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(OC)c3ccccc23)n1	920387975	QZHBXXAKPGKMSK-GXDHUFHOSA-N	364.426	4.546	50	20	FJGD	
C[C@@H]1CC[C@](NCc2cccc(O[Si](C)(C)C(C)(C)C)c2)(C(=O)O)C1	1776630162	OYKIUBKSSOPYDK-FOIQADDNSA-N	363.574	4.804	50	20	FJGD	
C[C@H](Sc1ccc(F)cc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	26590561	NPVCGLUVHGOXRX-QCQOHNBASA-N	374.437	4.967	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1cc(C)ccc1F	122767121	QXMNIPCBQQGAJA-UHFFFAOYSA-N	372.465	4.850	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1sc2ccccc2c1Cl	122989873	ZJCZKYMLJWECGN-UHFFFAOYSA-N	368.792	4.913	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCc2ccccn2)s1	170933493	GFQMOWQTGAYHLW-SFQUDFHCSA-N	360.438	4.820	50	20	FJGD	
COCCOc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	171686446	PSAORIYPKHPCHI-QGOAFFKASA-N	362.454	4.899	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@@H]1C1CC1	184415738	OCYUIHSEWMKYQK-CYBMUJFWSA-N	372.359	4.987	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	255542997	QOCKUQOYYJASOH-OQFOIZHKSA-N	369.154	4.523	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/C1=Cc2cc(Br)ccc2OC1	726118065	IHYDUZLPPGSDKX-OVCLIPMQSA-N	360.251	4.680	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(O[C@H]2CCOC2)cc1	739787862	KANULXMPFYVOFT-DLBZAZTESA-N	367.536	4.507	50	20	FJGD	
CSCCCOC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	744551717	HNPDSMNCDGNEGJ-QGOAFFKASA-N	360.523	4.813	50	20	FJGD	
CC(C)C(=O)Nc1ccc(OC(=O)CCCC[C@@H]2CCSS2)cc1	753729505	IJAXAHFWQVXCHI-MRXNPFEDSA-N	367.536	4.901	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](c2ccc(F)cc2)C1	755551996	GZLDQXORHVLEMI-WBVHZDCISA-N	353.528	4.856	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc[nH]2)c(C)n1C1CCCCC1	760726282	CFEDMBHJWANJDE-UEIJICEPSA-N	364.493	4.723	50	20	FJGD	
C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762655031	KRTOHDZNQDMHTC-CABZTGNLSA-N	372.359	4.587	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccc(F)c(F)c2F)C1	767084648	SPDTUFOJLIEKGS-ZIAGYGMSSA-N	372.431	4.703	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cnc(C2CCCC2)s1	767767163	FTEAYNGWUBVWAL-UHFFFAOYSA-N	363.486	4.647	50	20	FJGD	
C/C(=C\C(=O)NNc1c(C)cccc1F)c1cccc(C(F)(F)F)c1	771707915	UGEPDIGDMYQIEG-FMIVXFBMSA-N	352.331	4.700	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)cc(Cl)cc2C)cc1OC	776189636	JAUDVAYYGBXDGZ-ZROIWOOFSA-N	370.836	4.520	50	20	FJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1	779220386	AHVDUKGZTDGOKP-SXGWCWSVSA-N	367.330	4.799	50	20	FJGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	779705220	BYGNSUVRCZGXEP-GXSJLCMTSA-N	365.688	4.685	50	20	FJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2cc(F)c(F)c(F)c2)c1	790001226	GRZWUZBEPQZRMB-GFCCVEGCSA-N	366.383	4.530	50	20	FJGD	
COc1cc(NNC(=O)c2cc(C(C)C)nc3ccccc23)ccc1Cl	790176252	VWBUIPVHEXHSMT-UHFFFAOYSA-N	369.852	4.777	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1C	797399326	RNXQPCMCKNCYDZ-JYRVWZFOSA-N	357.479	4.626	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	799408148	LKOIDMWHSPZDQG-UHFFFAOYSA-N	359.380	4.520	50	20	FJGD	
COc1cccc(C2(CNC(=O)CCCC[C@@H]3CCSS3)CC2)c1	810730821	CALMMMCKIBXAJN-QGZVFWFLSA-N	365.564	4.557	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)[C@H]1OCCc2sccc21	813870203	SXJZFNXKJUVHGR-AUUYWEPGSA-N	373.522	4.509	50	20	FJGD	
Cn1ncc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)c1Cl	815129674	VPHIMDZFOUGHFR-GFCCVEGCSA-N	370.227	4.905	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F	817015752	QBPJUVLXXGAVJH-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(Br)cc(C(F)(F)F)c1	834447797	SGWQWDDKYXJLKQ-OQFOIZHKSA-N	364.136	4.692	50	20	FJGD	
CC1(N)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	841178977	IWNHQBQUAWKWHI-UHFFFAOYSA-N	359.364	4.689	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1[C@H]2CCNC[C@H]1CC2	841180012	WBZWEZJTDLWKKV-VXGBXAGGSA-N	371.375	4.702	50	20	FJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2cccc(Cl)c2Cl)c1C	916336379	DCWBNRHLOYDMPE-CYBMUJFWSA-N	365.260	4.528	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	921138401	JAUBJAAMDQEBNL-NSIKDUERSA-N	360.196	4.570	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2F)c1C	1318808819	JJWZFDYQTHRFSM-YVLHZVERSA-N	373.859	4.531	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3cc(C(F)(F)F)ccn3)cc2)cn1	1330058704	QGPSRSOIBZXGTP-NVNXTCNLSA-N	354.335	4.565	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cnc3ccccc32)cc1)C(=O)c1ccccc1F	7318190	ZPHNRLZQFBVRGQ-GHRIWEEISA-N	367.383	4.954	50	20	FJGD	
COCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc1	179575381	ZGPDNDJTIFQMMQ-RIYZIHGNSA-N	373.206	4.568	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1SC	208104556	ZZGYVTOUMCAQRL-UKTHLTGXSA-N	358.850	4.616	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc(F)c1F	726495239	JXUBRDLVFPYKFF-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1	732826350	KNTFGNKVYGLGER-UHFFFAOYSA-N	354.356	4.822	50	20	FJGD	
C[C@@H]1CC(=NNC(=O)c2cccc3ccccc23)CCN1Cc1ccccc1	741465292	FRDNENBWVWSXMU-GOSISDBHSA-N	371.484	4.610	50	20	FJGD	
O=C(NNC(=O)C1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1	742553961	SFGIFFPDLVYREL-UHFFFAOYSA-N	372.468	4.575	50	20	FJGD	
Cc1ccc(NNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)cc1	749194231	PPSDNCNOJYLXOU-CYBMUJFWSA-N	371.893	4.821	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)c1c(Cl)cccc1Cl	751166353	KCFADAQZFFHARI-VIFPVBQESA-N	370.188	4.619	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c3cccnc23)c1C	759116841	UFIGWPCCWOJSQH-ATVHPVEESA-N	359.404	4.768	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cncc(Br)c2)cc1	767352396	SOZDCZSUSXPDLX-OVCLIPMQSA-N	369.262	4.931	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)C1CCCCC1	767715610	XMLVIBXYAYBLCM-NVNXTCNLSA-N	366.442	4.595	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-]	770571474	SEGFSFITBMUUNB-IZZDOVSWSA-N	371.805	4.931	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Br)c(F)c2)c(Cl)c1C	771691850	YVSUGMWONRHCAL-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CC(C)(C)Oc1c(F)cc(NC(=O)NNc2c(F)cccc2F)cc1F	775721503	CGTVMXYDQPVGQS-UHFFFAOYSA-N	371.334	4.569	50	20	FJGD	
CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cc(C)ccc1C	777418357	NJGBUMRCKHRQQB-UHFFFAOYSA-N	373.478	4.861	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccsc1)c1ccc(Cl)cc1Cl	787148581	VURRGCGIUKDQLH-OGGBREFQSA-N	351.258	4.839	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccoc1	798229692	GITMLSFONIFBHY-UYRXBGFRSA-N	365.392	4.922	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(-c2cnn(C)c2)c1	801648451	ZRXIBTXDJNSDHU-LICLKQGHSA-N	366.424	4.667	50	20	FJGD	
O=C(COCc1cccnc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	808713752	KBFJMGCWZPTTJP-UHFFFAOYSA-N	368.327	4.894	50	20	FJGD	
Cc1ccc(OC(F)F)c(CNCc2ccc(OCCCCl)cc2)c1	811484027	UWQPVDWLFNMGLE-UHFFFAOYSA-N	369.839	4.894	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(C)C)nc2C)cc1	815180212	DHTPTLZVOXYUED-UNOMPAQXSA-N	364.445	4.563	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1Sc1ccccc1	817004787	POZGBMJJOUSAPL-UHFFFAOYSA-N	355.850	4.643	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(O)c2Br)s1	840721815	ZWQYGKOFOJLVHQ-XFFZJAGNSA-N	363.280	4.973	50	20	FJGD	
CC1(C)C[C@@]1(C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	850690763	GPPXGBUQAXJPBK-CQSZACIVSA-N	372.359	4.587	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(F)c1	856529318	DSFZNMUFWWNLBF-ZDLGFXPLSA-N	353.441	4.754	50	20	FJGD	
COc1cccc(-c2nnc(SCCO[Si](C)(C)C(C)(C)C)o2)c1	863379991	LYVIGYWGBBTREL-UHFFFAOYSA-N	366.559	4.859	50	20	FJGD	
COc1ccc(Cl)cc1CNC(=O)CCCC[C@@H]1CCSS1	915710914	ZLGIENOHEFGFQH-CQSZACIVSA-N	359.944	4.679	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(-n2cccn2)c(F)c1	918333021	OIVRHGNETRKNCX-AWEZNQCLSA-N	365.499	4.664	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)c(C)n1CC1CC1	1319483406	VOCYWUQSCVOQPO-UHFFFAOYSA-N	352.265	4.579	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)cc(F)c1	15434474	CSTLYNBUROVIOC-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ncccc1C(F)(F)F	119557396	FPDCONVNINCBRG-DHZHZOJOSA-N	365.742	4.608	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cccc1-c1ccccn1	123626473	NLYHHVBBDOPBIN-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1	179606915	QXDQJQKVEGJXRC-XNTDXEJSSA-N	368.795	4.952	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cn(C)nc2-c2ccc(C#N)cc2)n1	182061140	LAQZDWHFWFCDLB-LZYBPNLTSA-N	359.458	4.603	50	20	FJGD	
C[C@H]1OCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	184421196	CRKZEVHKEIQXFZ-NXEZZACHSA-N	360.348	4.985	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1csc2ccccc12	190165967	AGDXBMPUIZXTNE-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(OC(F)F)c1	728434344	XBGZTYYMZCQSFR-UHFFFAOYSA-N	358.388	4.732	50	20	FJGD	
O=C(NNc1ccccc1)[C@H](Sc1ccccc1F)c1ccccc1	732265676	WBWJRHSQTWOISX-LJQANCHMSA-N	352.434	4.802	50	20	FJGD	
COc1ccc2sc(C(=O)NNc3c(C)cc(C)cc3C)c(C)c2c1	743762129	XAUVXRBAOBLXBH-UHFFFAOYSA-N	354.475	4.900	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)ccc2Br)c(C)c1	743762726	JDZQBAFFULIPKO-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2ccccn12)c1nc2ccccc2[nH]1	744834098	FKKMWCDRFYMLMG-VKAVYKQESA-N	361.408	4.942	50	20	FJGD	
COc1ccc(NNC(=O)c2cc3sc4ccccc4c3s2)cc1	746883464	QQVPPRQZAIPNON-UHFFFAOYSA-N	354.456	4.882	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1	748355008	ZCFBPAXPBWAEIP-UHFFFAOYSA-N	356.429	4.676	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc4ccccc4c3)co2)cc1	755653242	AMUXWZDNTGMPTR-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C#N)cc2Cl)c1C	769730968	OSAIYPKHOITBSS-YVLHZVERSA-N	366.852	4.586	50	20	FJGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1c(F)cccc1Cl	770190392	HPCLGVYHAMXGMD-UHFFFAOYSA-N	357.212	4.678	50	20	FJGD	
C[C@H](CBr)CN1CCc2sccc2[C@H]1c1cccs1	770643985	IUUWLEPVJWKGSH-ABAIWWIYSA-N	356.354	4.788	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(-c2cc[nH]n2)cc1	775615974	XBFUOHLTKVVDRK-UHFFFAOYSA-N	362.220	4.532	50	20	FJGD	
CC(C)Cn1ccc2cc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)ccc21	776636945	MLAVWZUPWJMBLD-WOJGMQOQSA-N	359.429	4.549	50	20	FJGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl	777885332	VTWOIYUQZSZKSI-QBFSEMIESA-N	371.223	4.551	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1F	780003954	BEOQIXKUVPHRHV-LCYFTJDESA-N	361.319	4.616	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(C2CCC2)cc1	786226484	IXTQELNNCDZCGI-UHFFFAOYSA-N	350.344	4.517	50	20	FJGD	
Cc1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	795346744	CMEOLFCPAGLEFW-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@H](c4cccnc4)C3)cc2C1	799871776	DWDBXWSTVWWXRD-CABCVRRESA-N	367.518	4.712	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3ncco3)cc2C)cc1	820261960	RZTBZBLYSPKOOG-AQTBWJFISA-N	373.412	4.594	50	20	FJGD	
CC[C@H](C)CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	850591058	JCPXLXNHQFKHIY-JTQLQIEISA-N	374.375	4.835	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)C2CC2)c1C	881478877	WQGUBFLZFKNOFH-KGENOOAVSA-N	361.489	4.613	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OC	6614638	HVMHHCSZTSHWRZ-LFIBNONCSA-N	360.413	4.674	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)c1C	7208709	QXIDLHQZBNPDKL-LFIBNONCSA-N	356.372	4.682	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccoc3C)cs2)cc1	17700440	ULRLCLJAQGSCQG-NTEUORMPSA-N	350.399	4.510	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OCc1ccccn1	44028324	SBQSUGQJBDHDGS-ATVHPVEESA-N	360.438	4.820	50	20	FJGD	
COc1ccc(C(=O)NNc2cccc(Cl)c2)cc1-c1ccccc1	50558421	RHAGWGKZAHHAGV-UHFFFAOYSA-N	352.821	4.773	50	20	FJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\C#N)C(=O)C(C)C)cs1	55040094	CPRVABKYQAEYKO-CXUHLZMHSA-N	367.474	4.577	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2ccc(Cl)cc2C1	90445180	JDSWDYLKYIJIGO-MRXNPFEDSA-N	355.956	4.939	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2c(-c3ccccc3)nn(C)c2Cl)sc1C	125413973	DAQVQNVZHILZAA-ZROIWOOFSA-N	354.866	4.878	50	20	FJGD	
Cc1noc(C2CC2)c1NC(=O)NN(Cc1ccccc1)c1ccccc1	130191239	IOQXMRYZNKKGNK-UHFFFAOYSA-N	362.433	4.604	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(Oc2ccncc2)c1	160320332	YSIMJCPVIWWESX-UHFFFAOYSA-N	371.400	4.571	50	20	FJGD	
N#C/C(=C\c1nccn1CC(F)(F)F)c1nc(-c2ccccc2)cs1	171114997	MBQUADQZLVDFKZ-MDWZMJQESA-N	360.364	4.633	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1	171419496	XJHBANVBFOVNPG-LICLKQGHSA-N	369.453	4.968	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc(Cl)c1O	179606358	RNTFVAWBSWBCJE-NYYWCZLTSA-N	366.175	4.637	50	20	FJGD	
O=C(Nc1ccccc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183996847	ZFLYXWAGDVNCHL-UHFFFAOYSA-N	366.311	4.921	50	20	FJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1	212894115	MNWKETKYPNKWQA-XNTDXEJSSA-N	367.330	4.799	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C2CCCCC2)c(C)c1	588425126	QEZSMLJAOPFYBD-PDGQHHTCSA-N	362.477	4.630	50	20	FJGD	
CC[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1	726704738	YXYXDPWUDBYJNP-OAHLLOKOSA-N	369.799	4.719	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12	727975178	BBEXIUCGHUJLHU-MDWZMJQESA-N	356.303	4.856	50	20	FJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C/c1ccc(OCC)cc1	745844408	SSCXDLHMOFJQGV-XMHGGMMESA-N	366.436	4.570	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	747033638	IVZUYZHYSAPGQN-MDWZMJQESA-N	362.763	4.796	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cccc(Cl)c1)c1cccc(Br)c1	747628311	SMKJLCADBIURNN-NSHDSACASA-N	365.658	4.622	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccccc2Cl)cn1)c1ccccc1	748332657	NAXDVTNHBMXESI-AWEZNQCLSA-N	367.836	4.632	50	20	FJGD	
N#CCC[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccccc1	749223506	ZNYCSGRMUVCEDB-OAHLLOKOSA-N	363.248	4.665	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(Cl)c(OC)cc2Cl)c1	753887493	KUOTUFFTTAYKLS-AWNIVKPZSA-N	362.212	4.800	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)cc1	754148862	OMWQFHUFBFEQOX-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2sc3cccc(C)c3c2Cl)c1	759322683	WZVXKZZMUDHWMS-UHFFFAOYSA-N	364.829	4.768	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccnc(OC(C)C)c1	760146303	FSWRIZBGWWSYHV-UHFFFAOYSA-N	369.490	4.819	50	20	FJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)Nc1ccccc1Cl	761393712	SSTDKXKBFCAZQJ-VQHVLOKHSA-N	356.756	4.966	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2csc(Cl)c2Cl)cc1	761477601	MTDOYQQAZRFVIB-WUXMJOGZSA-N	358.271	4.702	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H](CCO)C1CC1	762967515	CGCLLKFCRFMYBU-LBPRGKRZSA-N	360.348	4.627	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1c(Cl)cccc1Cl	763616575	VKPQCGMJZUMKCH-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1nc(C)cs1	766390356	WFVXLPPJBZUCFD-UHFFFAOYSA-N	359.520	4.721	50	20	FJGD	
O=C(NN=Cc1cnc(C2CCCC2)s1)c1ccc(Cl)cc1Cl	767765816	PJBKQSVTVJLAPZ-UHFFFAOYSA-N	368.289	4.871	50	20	FJGD	
Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H](Br)C(C)(C)C)o1	781090950	PXDAMJFDOYLNPA-UKRRQHHQSA-N	356.304	4.841	50	20	FJGD	
COc1ccc(Oc2ccc(C=NN(C)C(=O)OC(C)(C)C)cc2)cc1	783832575	RICAQUWREJLMGI-UHFFFAOYSA-N	356.422	4.688	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)c1ccc([N+](=O)[O-])cc1	789127960	PNMPSIVBTYKTPD-YBEGLDIGSA-N	364.792	4.557	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1CCC[C@H](OC)C1	796558943	WLWIDALZHDNVSR-PBHICJAKSA-N	360.523	4.918	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1	810199857	RGJSLSWGHQDRCS-MHWRWJLKSA-N	352.397	4.656	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cscc2C(F)(F)F)c1C	811627337	XQKIKNLLZOCJML-SDQBBNPISA-N	350.365	4.929	50	20	FJGD	
CC(F)(F)c1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	815870487	BNDSCEAWEUABKU-UHFFFAOYSA-N	362.273	4.713	50	20	FJGD	
CC(C)c1ccc(NNC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1	837059067	YILVIZUPIFGPNX-CQSZACIVSA-N	368.506	4.624	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(c2ccc(F)cc2)CCCC1	912642819	SRHMBVFOALSYNL-UHFFFAOYSA-N	366.358	4.800	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CC(F)(F)F)c(C)n1C1CCCCC1	915174119	QMHQUTWQXZKVKA-MHWRWJLKSA-N	367.415	4.538	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1OC	920067867	CYYHZERMZQUZHK-MHWRWJLKSA-N	360.413	4.674	50	20	FJGD	
CCC(CC)N(CCP(=O)(c1ccccc1)c1ccccc1)C1CC1	920409744	JOPVXNXXVNRFAO-UHFFFAOYSA-N	355.462	4.654	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(COCC)cc2)c1C	1318792881	YIEIGALEYHZJFH-MOSHPQCFSA-N	365.477	4.597	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)c2ccc(F)cc2n1	1322853212	REGKTTVBGLDZEX-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nnc(-c2ccsc2)s1	110890860	QSBXFAYIIVYPNH-NSHDSACASA-N	371.578	4.919	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c(Cl)nc4ccccn34)c[nH]c2c1	194581044	PCGMEDONCQJGOV-UKTHLTGXSA-N	360.804	4.567	50	20	FJGD	
CC(C)c1c(C(=O)NNc2cccc3c2CCCC3)cnn1-c1ccccc1	748584989	FXVUFHLMGPKOAR-UHFFFAOYSA-N	374.488	4.631	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)Nc1cc(Cl)ccc1Cl	748821543	HUDKDGKRCPNTCJ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	750797327	ZFGSQSDZOISBDJ-YFMIZXKXSA-N	360.791	4.556	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1	758017579	POTYDMZIFQMGNV-HMFGGZQFSA-N	365.788	4.513	50	20	FJGD	
COc1cc(F)cc(NNC(=O)/C(C)=C\c2c(Cl)cccc2Cl)c1	768306822	FUWUESUUVAKCKH-POHAHGRESA-N	369.223	4.688	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1OCC(C)C	772171452	IHSWHBXAPFHBLU-RQZCQDPDSA-N	353.393	4.659	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccc(F)cc2C(F)(F)F)ccc1[N+](=O)[O-]	774558415	CGXRJOXHEJXIIV-WUXMJOGZSA-N	366.270	4.825	50	20	FJGD	
Cc1ccc(C2(C(=O)NNc3c(C)cccc3C(C)C)CCOCC2)cc1	794948121	IHVDBPGBMZKVBI-UHFFFAOYSA-N	366.505	4.618	50	20	FJGD	
Cc1nc(-c2ccc(C(=O)NNc3cccc4c3CCCC4)cc2)cs1	799705927	RRAPPOFQOUZEMW-UHFFFAOYSA-N	363.486	4.754	50	20	FJGD	
Cc1c(C(=O)/C=C/c2cccc(CCl)c2)cnn1-c1ccc(C#N)cc1	799891199	ATGSZSISNDGZCW-JXMROGBWSA-N	361.832	4.687	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2-c2cnn(C)c2)c(C)c1	801647161	DPYYZHVIHGOJSM-ODLFYWEKSA-N	370.456	4.558	50	20	FJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccccc3Cl)cc2)n1	810682917	SOHHSFSPPPALPD-UHFFFAOYSA-N	358.854	4.605	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cn(C)nc3C(F)F)n2)cc1	812241355	GWLSOIGTDZTZNV-QPEQYQDCSA-N	356.401	4.854	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(F)F)c(C)n1C1CCCCC1	816421501	PNAVSWJQMWNAMH-NDCSFFLDSA-N	362.420	4.716	50	20	FJGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1	817016952	RHPRREXSCZLLAG-QMMMGPOBSA-N	366.261	4.564	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1Br	843263438	CATYZPAJVRITIO-WUXMJOGZSA-N	361.264	4.856	50	20	FJGD	
O=C(NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F	853314682	SLFWAVHMIIMQCO-NXEZZACHSA-N	350.743	4.563	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)c1nc(N)c2ccccc2n1	1322625330	HOSXHUPCKNCDSQ-XFFZJAGNSA-N	372.762	4.531	50	20	FJGD	
Cc1nc(NC(=O)CCCC[C@@H]2CCSS2)sc1SCC#N	53650642	RURNKJXFFIVIBC-LLVKDONJSA-N	373.594	4.720	50	20	FJGD	
O=C(CCN1c2ccccc2Sc2ccccc21)NNc1ccccc1	97637587	FNERSSSHYFTBFM-UHFFFAOYSA-N	361.470	4.823	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	114114503	WHINUHBHTNXHAY-SECBINFHSA-N	374.699	4.537	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3ccncc3)cc2)cc1	154742330	QMFJIVKBRKDFFA-KGENOOAVSA-N	354.409	4.759	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)o1	172043589	XRZLRAAVXDBVDH-NTCAYCPXSA-N	362.408	4.776	50	20	FJGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	195271197	WPMQVXLMAXDFGQ-MKMNVTDBSA-N	359.212	4.742	50	20	FJGD	
Cc1cccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1	215786378	WZJUEWRHGQWYBY-UHFFFAOYSA-N	374.469	4.666	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	729273163	ITNJRDKYTPERCZ-UHFFFAOYSA-N	369.424	4.667	50	20	FJGD	
CCc1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)s1	731149140	KMUVUYHYGVQSLY-UHFFFAOYSA-N	364.470	4.507	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1cc2c(s1)-c1ccccc1CC2	735701545	XHDKSVDBANZSBW-UHFFFAOYSA-N	356.397	4.549	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cccc(COc2cccc(F)c2)c1	748318327	NCGJNZMWAPVRQR-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)c1	748418243	QLOMCBWXGVQGPD-KRWDZBQOSA-N	361.445	4.595	50	20	FJGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	749186528	OPWIHJAMBMIBMV-KGLIPLIRSA-N	357.866	4.505	50	20	FJGD	
CC(=NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cncs1	750937859	NLESBFRJEKQBEH-UHFFFAOYSA-N	363.657	4.649	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(Cl)cc1F	753169920	MYOVOOSTOGBCLW-UHFFFAOYSA-N	371.637	4.561	50	20	FJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccccc1Br	756017237	HGYYXLABXIYHTB-KHPPLWFESA-N	365.658	4.649	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)c1ccccc1OC(F)F	775638782	IHWKPYDJHQHUHJ-WQLSENKSSA-N	360.385	4.802	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ccc(-c2ccccc2)[nH]1	777479694	LXSVJWRKLVVUGM-UHFFFAOYSA-N	370.456	4.614	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(C(F)(F)F)c2F)cc1	780806494	UPCHMJPKKQXCLH-UHFFFAOYSA-N	354.347	4.899	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)NCc3cccc(C)c3)cs2)cc1	786056663	QDDCVEQZGRSZSK-YBFXNURJSA-N	373.481	4.650	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1)c1ccccc1	787145314	PSHRCVKJJHTLMW-LYDJUCFBSA-N	360.413	4.616	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)cc1	788586848	CHMHSVQMBNNBQF-INIZCTEOSA-N	362.429	4.592	50	20	FJGD	
COc1cc(NNC(=O)c2cccc3c2ccn3CC(C)C)ccc1Cl	790195484	KPKMMDBGDSDNSF-UHFFFAOYSA-N	371.868	4.716	50	20	FJGD	
C=CC[C@@H](CC)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	798467921	JUSKCQWQOSBMSP-SNVBAGLBSA-N	365.389	4.977	50	20	FJGD	
Cc1cc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)no1	810797571	ZDTOBEREPWXBOG-BEWREHSGSA-N	369.465	4.659	50	20	FJGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841688773	APYRWVMBNUWXOR-MNOVXSKESA-N	374.375	4.969	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CCCCO2)c(C)n1C1CCCCC1	857828692	LXVDAXOHDSGULO-YMFQVDJJSA-N	370.493	4.629	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c(C)c1	916481141	AVGYJAFVVNYWBA-CQSZACIVSA-N	363.408	4.601	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)c1ccsc1	917146868	YVPDDPDQKPEMPI-OQLLNIDSSA-N	367.861	4.994	50	20	FJGD	
CCCOc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	917329571	YYBOUDJJOKWTKS-KRWDZBQOSA-N	353.553	4.806	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(C)s2)c1C	919701925	VXHCJZLLQIXORU-GZQZNAIASA-N	355.507	4.669	50	20	FJGD	
COc1ccccc1C1(NCc2ccc(OCCCCl)cc2)CCC1	1117680332	AFRNDXIHCLOSAZ-UHFFFAOYSA-N	359.897	4.872	50	20	FJGD	
CC1CCN(C[C@@H](C)c2nnc(CCCC[C@H]3CCSS3)o2)CC1	1118132608	VROXLARTWURGPF-CVEARBPZSA-N	369.600	4.772	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1Cl)c1nc(N)c2ccccc2n1	1253571523	ZJQQAHRLAQCKQK-YRNVUSSQSA-N	374.753	4.948	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc([C@@H]3CCCCO3)o2)c(C)n1CCC(C)C	1326123938	QVMRMBVXQKTXJH-OVCORXIESA-N	368.481	4.840	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)cc1	1347737598	BMXKWPJKMDYQEF-BAQGIRSFSA-N	351.233	4.549	50	20	FJGD	
COc1ccc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	25592738	MUBKLTYHFWAEOI-OGAOFSLMSA-N	368.483	4.698	50	20	FJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1cccc(Cl)c1	30612848	BJIPGWVOFPEDTL-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c(F)cccc1Cl	126403516	AHXLQICVUJFYHV-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)c2nc(C(C)C)cs2)c1	176916622	GIBQMALSIJWAQC-WUXMJOGZSA-N	350.390	4.941	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)c1c[nH]c2ccccc12	212908454	UNYLRRAJMYNLPG-WZUFQYTHSA-N	357.232	4.782	50	20	FJGD	
Cn1c(/C(C#N)=C\c2c(F)cccc2Br)nc2ccccc21	588615024	HWWANUUYFOFZMD-LUAWRHEFSA-N	356.198	4.539	50	20	FJGD	
C/C(=C\C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1Cl	727368412	XVNMRANLGRTBHV-ZHACJKMWSA-N	354.759	4.905	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(Cl)ccn2)c1C	735886832	WCRBYHQJHXJBTF-YVLHZVERSA-N	371.868	4.604	50	20	FJGD	
CC[C@@H](NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(F)cc1	738416008	HIENAZOEPZUADU-QVKFZJNVSA-N	366.436	4.518	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)ccc1OC	741474703	YIMIGEGEUBHONJ-LFIBNONCSA-N	362.433	4.518	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(OCCCOC)c2)cc1	746340845	UHDQXSXPUUBKMW-RCCKNPSSSA-N	363.457	4.844	50	20	FJGD	
C[C@H](O)[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979666	KELCSPIJVKOWHE-QWRGUYRKSA-N	374.375	4.969	50	20	FJGD	
C[C@H](CBr)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1	770654629	FOMRZYLIEPXZSH-LLVKDONJSA-N	371.706	4.692	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1OC	773153295	DVKUVHQXJCUFLP-ZSOIEALJSA-N	359.784	4.676	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc([N+](=O)[O-])c(Cl)c3)c[nH]c2c1	774127029	PCGJVOKZAJGDQQ-QPEQYQDCSA-N	365.776	4.828	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2cc(Cl)c3c(c2)OCCCO3)ccc1[N+](=O)[O-]	774558710	MWIBHRAJUIBVQX-OVCLIPMQSA-N	370.792	4.782	50	20	FJGD	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)/C(C#N)=C\c1ccc(O)cc1	787385398	FAVQYYWMLOPSHA-XESZTULISA-N	360.457	4.689	50	20	FJGD	
CCCOc1cc(OC)ccc1C(=O)NNc1cc(Cl)ccc1Cl	789820137	AIJVSIBAOINSOH-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNc1cc(Cl)cc(Cl)c1	791728467	KQJOTQHNZIPENM-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Oc2cccnc2)cc1	791730786	FPGPPMHYKUOIBO-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(COc2ccc(OC)cc2)n1	794875720	XXMZCYLDNYTFPB-GXDHUFHOSA-N	370.474	4.643	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3ncccc3C(F)(F)F)c2c1	806902260	UGWSRQXULVSTQU-UHFFFAOYSA-N	363.339	4.727	50	20	FJGD	
C[C@]1(CNC(=O)c2c(Cl)cc(Cl)cc2Cl)C[C@@H]1Br	857686634	BRIXLTUGLBHOKS-JOYOIKCWSA-N	371.489	4.550	50	20	FJGD	
COc1ccc2ccccc2c1C=NNC(=O)c1ccc2ccccc2c1	864009964	DSJDYPZRGULAGS-UHFFFAOYSA-N	354.409	4.766	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2c(F)cccc2F)c(C)n1CC(F)(F)F	915863437	XRNSONWVSGKUOJ-KPKJPENVSA-N	368.305	4.735	50	20	FJGD	
CC(CCC(C)C)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	916284894	YLINBHRAZSGLEU-UHFFFAOYSA-N	360.461	4.839	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129935	AZOIVMVRXOXJTR-SFQUDFHCSA-N	374.421	4.659	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776384130	PUEOCWNSHKZMGX-UKTHLTGXSA-N	367.355	4.658	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)C(=O)c1ccc(F)cc1	8244658	WTKPDCZRJZBBAI-LFIBNONCSA-N	363.367	4.557	50	20	FJGD	
CCCCCOc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	48417745	JOUVVBSEENRILR-OBGWFSINSA-N	350.466	4.638	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cc2ccccc2c2cccnc12	181103081	RYIMIFXNGINQMQ-UHFFFAOYSA-N	364.408	4.693	50	20	FJGD	
COc1ccc2sc(C(=O)NNc3ccc4ccccc4n3)c(C)c2c1	181109194	YQVOHZCDWDKUBR-UHFFFAOYSA-N	363.442	4.523	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1ccccc1C(F)(F)F	213321176	FHVWKHXFILRCNM-XNTDXEJSSA-N	370.330	4.570	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2COC)c1C	255888245	OXUROVDODWGPHL-MOSHPQCFSA-N	365.477	4.597	50	20	FJGD	
COc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)c2ccccc12	727779286	VSNZTZIYBHANQE-UHFFFAOYSA-N	373.239	4.919	50	20	FJGD	
CCCCCCCCCC(=O)NNC(=O)c1c(Cl)cccc1Cl	727792510	VOSFVRFMWFYHKC-UHFFFAOYSA-N	359.297	4.895	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	728787617	PVFTUQHBUXIOEZ-YVLHZVERSA-N	366.424	4.965	50	20	FJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1ccc(Br)s1	730435654	FPWRLWIMNFWBJY-YRNVUSSQSA-N	350.212	4.748	50	20	FJGD	
CSC[C@@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	731325425	OIRKMMRBAQANNX-PELKAZGASA-N	357.850	4.844	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	733363112	OPUWEGLKMJJSOK-RYUDHWBXSA-N	357.187	4.518	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2Cl)cc1Cl	733808040	QYDKGWCCIAWSSG-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](c1ccc(Br)cc1)C1CCC1	734272420	DQWWEFHVRQQJNZ-KRWDZBQOSA-N	374.282	4.617	50	20	FJGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)n12	748996824	AXSNAFUOLPZBAM-NTUHNPAUSA-N	360.804	4.567	50	20	FJGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	749888346	PBDVDVZNPRSSIC-GFCCVEGCSA-N	352.356	4.640	50	20	FJGD	
O=C(C[C@H]1CCCCO1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	755150947	TYUKQFQFBBJITL-YGRLFVJLSA-N	367.820	4.804	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	755403693	BXPCODDWMNQKFX-WLRTZDKTSA-N	374.195	4.610	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2csc(Cl)c2Cl)c1	761376424	LYTICEZIFDPHQG-UITAMQMPSA-N	353.230	4.609	50	20	FJGD	
CN(CC(C)(C)C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762651897	HUGPHSUATIMFTN-UHFFFAOYSA-N	374.375	4.787	50	20	FJGD	
Cc1nc(CC(C)C)c(C(=O)NNc2c(Cl)cccc2Cl)s1	763616164	VUCPQSBWTDDGDD-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCCO3)cc1	764891796	OKLCOWYSOAXHAH-CXUHLZMHSA-N	353.805	4.600	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc(C)c1O	765613251	OPYHZQXSNXGNCZ-NTUHNPAUSA-N	373.206	4.744	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)c1cc2ccccc2s1	788361826	FVLFLSBWAMJQOC-UKTHLTGXSA-N	363.829	4.992	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)C(=O)Nc1ccccc1F	790100411	BXHHEVQBUVGHLU-BENRWUELSA-N	368.314	4.910	50	20	FJGD	
COc1cc(NNC(=O)c2sc3ccc(F)cc3c2C)ccc1Cl	790177411	FTLKOFFFNOOQIS-UHFFFAOYSA-N	364.829	4.768	50	20	FJGD	
COc1cc(NNC(=O)c2c(-c3ccccc3)oc(C)c2C)ccc1Cl	790178431	VSPXWUXHLRIPAF-UHFFFAOYSA-N	370.836	4.982	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1csc(-c2ccc(Cl)cc2)n1	792635851	OCIFTLXAZGSJPK-OQLLNIDSSA-N	366.895	4.543	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2nc(-c3ccccc3)oc2c1	793711243	FQIUHEJBBABBTH-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	794875384	REBUQDJPLAILEL-UVTDQMKNSA-N	360.417	4.994	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)c1	806398470	IVRYAPTXEFIROT-UHFFFAOYSA-N	353.425	4.967	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1ccc(Cl)cc1Cl	810197249	SSPBDROGDKHNFU-RIYZIHGNSA-N	371.223	4.858	50	20	FJGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	834694121	STCLMYMSBPGFJT-RGEXLXHISA-N	365.392	4.896	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	7157917	UUGHBOOVPLZPNY-HMMYKYKNSA-N	359.473	4.839	50	20	FJGD	
C[C@H](CC#N)N(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	120003603	OUOBCJSCWYQPMF-SKDRFNHKSA-N	365.808	4.672	50	20	FJGD	
CSc1cc(C(=O)NNc2c(F)cccc2F)c(Cl)cc1Cl	133528040	KNLNTCFXUORPLB-UHFFFAOYSA-N	363.216	4.750	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CSCCS1	154542947	KHAGDYRZCVZGRF-HNNXBMFYSA-N	366.577	4.562	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	186853816	AYCKTLICEHIQDW-QGOAFFKASA-N	352.397	4.698	50	20	FJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	255003011	RJLHQMUCJNTGHP-FLIBITNWSA-N	365.792	4.595	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1)c1ccccc1	255386991	WUGGBKPFTNJZTK-FMNVXAMXSA-N	351.475	4.585	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccccc1C(F)(F)F	263631952	YCKNIESKVNXDFL-UHFFFAOYSA-N	356.347	4.551	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(Oc3cccnc3)c(C)c2)c1	732713895	ICNVVFBSOHDVAJ-UNOMPAQXSA-N	370.408	4.981	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cccc(OCc4ccccc4)c3)nc12	741473262	PFZCNLVTZAPMRG-UNOMPAQXSA-N	366.424	4.910	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@@H]1CCSS1)Sc1ccccc1	742786023	QTZWHXPIBPOAAX-GDBMZVCRSA-N	355.594	4.998	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)c1O	747946569	HLNFWLLOKHEWIE-GRSHGNNSSA-N	365.477	4.629	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(C)cc(C)cc1C	753173065	HLIBWXSEPIVWAL-UHFFFAOYSA-N	361.283	4.694	50	20	FJGD	
CC[C@H](CC(F)(F)F)NC(=O)NN(Cc1ccccc1)c1ccccc1	761037689	XYHIVFNGKMPQTE-MRXNPFEDSA-N	365.399	4.638	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC(F)F	774559319	OWTHOBYPDYYBBZ-OQLLNIDSSA-N	374.343	4.968	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)cc1	776259833	QWZHHCPGYBATNO-VUUBKFHSSA-N	370.311	4.542	50	20	FJGD	
COc1cc(NNC(=O)/C(C)=C/c2cccc(Cl)c2)ccc1Cl	790186649	CWXKZCLOLAZQQC-DHZHZOJOSA-N	351.233	4.549	50	20	FJGD	
C=C(CBr)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	791472218	AXHGXJQEBUWTGT-UHFFFAOYSA-N	373.269	4.651	50	20	FJGD	
CCCN(N=C[C@@H](C)Cc1ccc(OC)c(F)c1)C(=O)OC(C)(C)C	794998252	LDZFEVRJTPFVBB-AWEZNQCLSA-N	352.450	4.646	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(C(F)(F)F)cc1	807115818	FSILKWSDLMRMPC-ZDUSSCGKSA-N	373.378	4.576	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)c1cc(C(F)(F)F)ccn1	812246404	KSFZMHBGMIENEV-POHAHGRESA-N	352.699	4.516	50	20	FJGD	
CCOc1ccc(NNC(=O)CC(c2ccccc2)c2ccccc2)cc1	817915796	SWICUNWXVCBOIC-UHFFFAOYSA-N	360.457	4.751	50	20	FJGD	
NC[C@@H]1CCCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190856	UCKBAQFLMYKTHJ-NSHDSACASA-N	359.364	4.689	50	20	FJGD	
C[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H]1CN	841191220	WEXQXOMAKJXEHX-MFKMUULPSA-N	373.391	4.935	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)c1c[nH]c2cc(F)ccc12	915989785	DHIMJGOZWBVAHV-GHXNOFRVSA-N	374.293	4.995	50	20	FJGD	
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C(C)C	916287219	BOLJQQZIWFOZEI-UHFFFAOYSA-N	366.490	4.617	50	20	FJGD	
CCCCn1nc(C)c(C=NNC(=O)c2ccc3ccccc3c2)c1Cl	917547623	ZBMRFRUTJULNBV-UHFFFAOYSA-N	368.868	4.562	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccc(F)c2F)o1)c1ccccc1Cl	1321018092	VHGGVTDEOAWAAY-UHFFFAOYSA-N	360.747	4.642	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(SC(F)(F)F)cc1	1339381611	FVTZFQVUKAEMFM-FMIVXFBMSA-N	364.348	4.550	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(OC(F)F)cc3)nc(O)c2c1C	7001216	BYFBLNLXLBLGQG-KPKJPENVSA-N	373.384	4.679	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1C	21836997	ZPCIRGJTTLMMCA-UOEVCUDDSA-N	367.468	4.781	50	20	FJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)ccc2c1	97990511	SWGLCYPILKREMI-RDPIHGLISA-N	356.425	4.633	50	20	FJGD	
CN(C)C[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	187786943	NPSPGZBJQNVJFL-LLVKDONJSA-N	373.391	4.759	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1Cl	727975628	GJMDFLAWCKBJNG-WQLSENKSSA-N	366.726	4.784	50	20	FJGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1cccc2ncccc12	730147088	NTDBMURREBNEHC-UHFFFAOYSA-N	365.436	4.783	50	20	FJGD	
C[C@H]1c2c(F)cccc2CCN1C(=O)CCCC[C@H]1CCSS1	737966224	WTSYFAUDKFLLBS-ZFWWWQNUSA-N	353.528	4.986	50	20	FJGD	
CCC/C=C/C(=O)NNc1c(Cl)cc(Br)cc1Cl	742133142	KKOOPFKNYMGSKI-SNAWJCMRSA-N	352.059	4.555	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1)c1ccccc1	747692018	YPBJPGHYGBGJBS-VKZJTJHYSA-N	353.425	4.533	50	20	FJGD	
C=C[C@H](CC(=O)NNc1ccc(Br)c(C)c1)c1ccccc1	759659824	BJKANEHJLOQCKH-CQSZACIVSA-N	359.267	4.561	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1Br	765614525	XCPOQWXOFPKXII-POHAHGRESA-N	365.133	4.700	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ncnc4ccsc34)sc2c1	766671711	PPOMAGVUPUDJDW-UHFFFAOYSA-N	374.878	4.625	50	20	FJGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	776189433	GIBVFPOGVMNTIK-XYOKQWHBSA-N	362.212	4.800	50	20	FJGD	
N#C/C(=C\c1cccn1Cc1ccccc1C#N)C(=O)c1cccc(Cl)c1	782197686	VRIXCYXKCYNSSZ-XDHOZWIPSA-N	371.827	4.851	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccsc2Cl)cc1Cl	790100824	IURKXVQCAHHBTN-POHAHGRESA-N	353.230	4.609	50	20	FJGD	
O=C(CCc1ccc(Cl)cc1)NNc1ccnc2cc(Cl)ccc12	792871086	DREAWVDBLMGJKU-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
O=C(NN=Cc1c(F)cccc1Br)c1cccc2ccccc12	794514059	HTHKEBLZQTYYCW-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1)c1ccccc1Br	799101145	HZNXLGWWDGUGND-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
COc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)ccc1SC	812248205	GQJZTSNKTYYJML-KPKJPENVSA-N	350.365	4.895	50	20	FJGD	
COc1ccc(CCC(C)=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1	916357100	YXZRTYVUSJOMEL-CQSZACIVSA-N	370.518	4.620	50	20	FJGD	
COc1ccccc1SCc1nnc([C@@H](Br)C(C)(C)C)o1	1325806982	LXQYSOSVOZHKPW-CYBMUJFWSA-N	371.300	4.853	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccccc1	1776118499	QVEHAOITTKFLMG-XSFVSMFZSA-N	368.392	4.597	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC	7157417	URETZYRJBPPQAT-QGOAFFKASA-N	364.445	4.728	50	20	FJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1cccc(F)c1	154220571	JKPRIZDLAFFVTE-UHFFFAOYSA-N	367.858	4.729	50	20	FJGD	
Cc1coc(-c2cc(NC(=O)NNc3ccc4ccccc4n3)ccc2C)n1	163116738	QFZRHRXTACGABY-UHFFFAOYSA-N	373.416	4.655	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	176854763	AEOMPEUUPASYEH-SFQUDFHCSA-N	373.412	4.594	50	20	FJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2ccc(F)cc2)cc1	177514685	RXTKPOUNWNDXBD-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946786	NDECMOPGIVTMGF-CYBMUJFWSA-N	372.359	4.684	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccco1	211450993	IUTKNEKSAQOGMB-WBRURWICSA-N	373.456	4.531	50	20	FJGD	
CC(CCC1CCCCC1)=NNC(=O)c1sc2nc(C)cc(C)c2c1N	731924802	KGQRGZVELZJCIY-UHFFFAOYSA-N	372.538	4.962	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1OCCC(C)C	747613339	YFEAYSARDPNGGL-LICLKQGHSA-N	355.459	4.971	50	20	FJGD	
O=C(CC(c1ccccc1)c1ccccc1)NNc1cccc2cnccc12	748767369	QINOPSDKWOELOJ-UHFFFAOYSA-N	367.452	4.900	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2cc(Cl)ccc2[nH]1	754148727	OAGQLNPHCZAJMI-UHFFFAOYSA-N	371.721	4.736	50	20	FJGD	
N#CC1=CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1	767156386	GMYIHICWXYVYQV-UHFFFAOYSA-N	372.346	4.794	50	20	FJGD	
CCCCn1nc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1Cl	774558815	NYXHAJJBAJPZBR-XNTDXEJSSA-N	358.829	4.926	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)s1	776266409	QRHGKURTOHSAKD-WQLSENKSSA-N	362.401	4.832	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)c(C)n1C1CCCCC1	777463616	IVHGKNCHADAUQQ-UHFFFAOYSA-N	362.477	4.915	50	20	FJGD	
C[C@@H]1CCc2c(C(=O)NNc3ccccc3OC(F)(F)F)csc2C1	779200573	BIRBMCITBJEPBP-SNVBAGLBSA-N	370.396	4.528	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1OC(F)(F)F)C(=O)c1ccccc1F	789129872	YLZXOTBJSJMXOS-CSKARUKUSA-N	353.246	4.653	50	20	FJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2c(C)cccc2C(C)C)c1C	794948643	LYCNXNFDUHPWGB-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)(F)F)cc2)c1C	797054819	NGIHDTPKTTVIRA-XNTDXEJSSA-N	360.335	4.748	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c2c(c1)C[C@H](C)O2	797406251	QVZJCFHREFPKMH-CUTJPZLCSA-N	354.475	4.837	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1OCC	810219687	VNCULZCRBKHISS-BOPFTXTBSA-N	365.816	4.541	50	20	FJGD	
CSc1cccc(F)c1CNCc1ccc(OCCCCl)cc1	811505430	LLFFZPFDCWQOCW-UHFFFAOYSA-N	353.890	4.845	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)C(=O)Nc1ccccc1	811685812	CVWAYYGNXAGOEE-RVFWBLQRSA-N	354.356	4.780	50	20	FJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)c1ccc([N+](=O)[O-])cn1	812245036	LYODPXPAMOQJCE-XVNBXDOJSA-N	370.615	4.531	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1	817882343	JXZADWHOMRLQSH-UHFFFAOYSA-N	367.474	4.583	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@]1(C)CO	822460020	CSPMLASLERUPAT-QMTHXVAHSA-N	374.375	4.826	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C(C)C)n1	828194170	BAZGVKTYUUVVGH-UHFFFAOYSA-N	356.228	4.716	50	20	FJGD	
N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C2	853318325	AYDDGSAWBVVRKK-OASPWFOLSA-N	371.375	4.688	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1csc(Nc2ccccc2)n1	866630206	YWNAALRHTUDGLS-LFIBNONCSA-N	361.426	4.537	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)cc1	920065002	QGYBNMVOAVBOBS-DSQDWWTGSA-N	350.466	4.766	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)nc2ccccc21	1318567207	JYGFULZADWKXHY-VBKFSLOCSA-N	369.380	4.596	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	6209691	MOBAYBIYXFLIMI-GXDHUFHOSA-N	371.223	4.551	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C/c2ccccc2[N+](=O)[O-])c(C)c1	6209709	ZJNWOKHWLLONGC-GRXZFAKESA-N	361.401	4.622	50	20	FJGD	
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	7164755	RQPVDAMNOGUBNB-GHRIWEEISA-N	356.381	4.730	50	20	FJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)C1CCCCC1	128925868	MLOWPKNOCXWWAX-DHDCSXOGSA-N	367.430	4.775	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1OCCc2ccccc21	137106114	ZNPOHNNHNAQBJD-FQEVSTJZSA-N	366.486	4.637	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c(SC)cc1OC	180571086	VDMUZEHNNVSLSL-OVCLIPMQSA-N	370.430	4.707	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc(-c3cccs3)n2)c1	209745003	QMJXZFDMZLUVOK-UKTHLTGXSA-N	351.456	4.726	50	20	FJGD	
CC(C)[C@@H](CC(=O)NNc1ccc(Br)cc1)c1ccccc1	728601779	VUUWSSPEIWGOMI-QGZVFWFLSA-N	361.283	4.722	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	730521393	FIIVYAHKPYUGIJ-UONOGXRCSA-N	355.652	4.894	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C\c1cn(C(C)(C)C)nc1-c1ccccc1Cl	731156459	FSARHGKXDHJEAB-UVTDQMKNSA-N	371.868	4.817	50	20	FJGD	
CO[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	742090657	IEYHPSCLWRDKOC-CVEARBPZSA-N	373.971	4.858	50	20	FJGD	
C/C(=C\C(=O)NNc1cc(F)c(F)cc1F)c1cccc(C(F)(F)F)c1	743415152	OQPJMMWEVNSZON-WEVVVXLNSA-N	374.284	4.669	50	20	FJGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)c1ccc(Cl)cc1Cl	747755642	SHMAVJXKONRYLB-UHFFFAOYSA-N	370.239	4.819	50	20	FJGD	
Cc1noc([C@H](C)NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	752973771	PBJQKKSZTIJZEW-ZETCQYMHSA-N	372.319	4.918	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1ncccc1C(F)(F)F	754249062	VFCXOQZJQDIADW-QWHCGFSZSA-N	363.383	4.533	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c2ccccc2n1	767403063	VGOSMZDTIJUDIC-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
CC(=NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1cscn1	767901723	ZPGNYOVLSCXPGM-UHFFFAOYSA-N	363.657	4.649	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(C)c1	775544180	ARTTZGBHHDPWOZ-UHFFFAOYSA-N	373.478	4.777	50	20	FJGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1cccc(OC(F)F)c1	776768529	OJGQVTKUYKXHAP-UHFFFAOYSA-N	374.362	4.780	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(Oc3ccccc3)o2)n1	779703479	IBRABXIZJSDJDY-JLHYYAGUSA-N	366.398	4.769	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C(F)(F)F)c1	794865734	LBNVPVVZQAKGMC-UKTHLTGXSA-N	356.351	4.712	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c(C2CCCCC2)n1	794883910	DVMQGYAZGKHBOB-UYRXBGFRSA-N	370.456	4.806	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1nc(C2CCC2)cs1	799446727	ZIZXYVMZYCQMPX-UHFFFAOYSA-N	356.373	4.578	50	20	FJGD	
ClCCCOc1ccc(CNCc2cccnc2OC2CCCC2)cc1	811473932	QZHZDMDHTVWSQD-UHFFFAOYSA-N	374.912	4.701	50	20	FJGD	
Cc1c(C=NNC(=O)c2ccc(Cl)cc2Cl)n(C)c2ccccc12	814761971	IEWFBMLRKAQMCG-UHFFFAOYSA-N	360.244	4.557	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)OC3CCCCC3)cs2)c1	834748187	QENLDEAYOWZGCV-XNTDXEJSSA-N	368.458	4.602	50	20	FJGD	
C[C@@H](CCCc1cccnc1)NC(=O)CCCC[C@@H]1CCSS1	837758074	HLFFYZYHTWESAC-DOTOQJQBSA-N	352.569	4.623	50	20	FJGD	
C[C@@H]1C[C@@H](CN)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191501	ZSWUJMKNSCMZEG-ZJUUUORDSA-N	359.364	4.545	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1)c1ccccc1	917516336	SWOHIWBLGYWUDI-LCJWNIEWSA-N	360.457	4.792	50	20	FJGD	
O=C(CCl)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	1253962767	BAPPZJFBVKPMLU-UHFFFAOYSA-N	371.746	4.527	50	20	FJGD	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	5131230	OKRSFNWRTOATHX-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)c1ccco1	8200679	RGWVOMIJJZZCFK-DHZHZOJOSA-N	368.732	4.891	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1SC	63866916	XVEXYBUBBVENAE-ZROIWOOFSA-N	372.877	4.925	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)n1	174594792	XEXAVRGIFWFGNU-SNQWNFELSA-N	360.866	4.727	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC(F)F	180570862	LGHJLHCKLWWVIP-RIYZIHGNSA-N	360.316	4.577	50	20	FJGD	
CC1(C)[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1O	189378489	OXHHEOFSAOPALW-WDEREUQCSA-N	360.348	4.625	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)NC1(CO)CCCC1	192260853	IHGJRNAJGCMDCS-UHFFFAOYSA-N	360.348	4.771	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1	194580516	CYXRZKZIIVERNO-LICLKQGHSA-N	369.453	4.968	50	20	FJGD	
Cc1cccc(NNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1	195662099	VKGCGKKUKJIYAZ-LLVKDONJSA-N	355.290	4.926	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)c1C	212040161	QXIDLHQZBNPDKL-WJDWOHSUSA-N	356.372	4.682	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cn1	588577872	FZJJPBLNISCODX-NVNXTCNLSA-N	357.816	4.509	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OC2CCCC2)cc1	734304263	GGSAHFGXWANEAD-ZHZULCJRSA-N	360.457	4.540	50	20	FJGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CCCC[C@@H]1CCSS1	735662668	HBRXNWNVSZTSAJ-ZMSDIMECSA-N	359.601	4.658	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1	748701762	ACZBGCQLCKIFNY-UHFFFAOYSA-N	366.383	4.682	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	748706757	GMTBCZATEGDJFW-UHFFFAOYSA-N	363.436	4.609	50	20	FJGD	
CC(C)OCc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	752812782	LFDZTVLCPUYNHJ-UHFFFAOYSA-N	353.249	4.675	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)c1	755690874	UWHCCXFYPQWJKM-UHFFFAOYSA-N	374.469	4.666	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(-c2ccc(F)cc2)on1	762549840	QJANAUNBQRGGQM-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2cccc(C#N)c2)c1C	764611308	AYSJIVZKVPTHID-CTPANLQCSA-N	361.445	4.598	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(F)cccc2F)c(Sc2ccccc2)n1	768121678	YQAKGRSTLDAIFB-UHFFFAOYSA-N	371.412	4.576	50	20	FJGD	
CSSCCNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1	791150902	WTYULNMKEAFMCZ-KAMYIIQDSA-N	353.509	4.555	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(-c2cccc(F)c2)no1	791717811	LTYBMTNYKOCMKO-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
C[C@H](NCCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)C2CC2)cc1	808743909	RKQPICZYFRWWGX-HNNXBMFYSA-N	362.590	4.708	50	20	FJGD	
Cc1cscc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013857	GMKQPUVWFHVUON-UHFFFAOYSA-N	368.302	4.851	50	20	FJGD	
CCO[C@@H](C)c1nc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cs1	852524855	PAZJBPXYGSHZAS-HOCLYGCPSA-N	370.635	4.837	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3csc(-c4ccccn4)n3)n2)cc1	915986124	WEVLIXLKRKPSBD-XNTDXEJSSA-N	371.425	4.628	50	20	FJGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	918184666	PIQYWYNIEOCRMZ-XNTDXEJSSA-N	363.383	4.669	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1csc(COc2ccccc2)n1	1323882337	JEGZWLDTAGXNFP-LFIBNONCSA-N	360.438	4.820	50	20	FJGD	
CC1(C)CC(NCc2cccc(O[Si](C)(C)C(C)(C)C)c2)(C(=O)O)C1	1776538646	DKFQPSJDYSHDLN-UHFFFAOYSA-N	363.574	4.804	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1C	10405383	OTTUQOSGKKXYHF-NGWPFTMJSA-N	371.868	4.511	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)c2ccccc2n1	131735110	MAUHWOKDLNFBPZ-UHFFFAOYSA-N	374.366	4.529	50	20	FJGD	
OCc1ccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)o1	158799867	LOTMQLUWULIESC-ZDUSSCGKSA-N	351.777	4.603	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1OC	212678900	CLPPVMNUVDMSHD-VBKFSLOCSA-N	353.393	4.803	50	20	FJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CC=C(C#N)CC5)(C4)C2)C3)cc1	365044795	SQYQDHWYVCNWRP-LMHXZZLNSA-N	360.501	4.515	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3-n3cncn3)n2)cc1	726743676	NUKPIYAZDLQEFT-ZDLGFXPLSA-N	369.453	4.763	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CSC)cc2)c1C	727344015	WSVSPMGVJOIFIW-XDHOZWIPSA-N	367.518	4.924	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1OC	730148685	JQQITMSJYZLSCC-JYRVWZFOSA-N	354.406	4.907	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	742042935	XHEJFMYURPWPJQ-UHFFFAOYSA-N	360.310	4.667	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)CCCc2ccc(Br)s2)c1	746125106	LGYTZOOHSCSMKM-UHFFFAOYSA-N	367.312	4.593	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)c1ccoc1	752887495	KSASNADWASCIKO-WQLSENKSSA-N	358.184	4.562	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CC(F)(F)C1	753634158	ISHZTBXHCZJRBY-LLVKDONJSA-N	359.747	4.890	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)c1	753683494	RFKBMBBMLYVWGR-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1	771697896	HNOXXCITZGIZPY-UHFFFAOYSA-N	374.419	4.538	50	20	FJGD	
Cn1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	773153450	FKSYTJXATDUCOX-UXBLZVDNSA-N	361.257	4.915	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)OC1CCCCC1	773916347	ZDDXYYNDYKABTG-RGEXLXHISA-N	362.429	4.540	50	20	FJGD	
Cc1csc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1Cl	790818875	QXYCRQNQSDLCKL-UHFFFAOYSA-N	352.740	4.625	50	20	FJGD	
Cc1cn2c(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c(C)nc2s1	797033476	AQOFDPCSMPYQPK-NTUHNPAUSA-N	370.865	4.520	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)cc2)cc1	797306228	ZZLMTTWOJJAKGP-JCMHNJIXSA-N	368.436	4.586	50	20	FJGD	
Cc1cnc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	806401342	KSVKPUNWHUTAEO-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246942	XCEGXHSTTYWFKO-NTEUORMPSA-N	355.319	4.721	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C(F)F)nc1	846797798	LYPXIPLELHXATJ-UHFFFAOYSA-N	361.417	4.969	50	20	FJGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc2c(c1)Nc1ccccc1S2	917551266	SNAGWVLLXYHYHW-UHFFFAOYSA-N	365.380	4.687	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(-c4cnn(C)c4)cc3)c[nH]c2c1	1322454478	CALGJPDNANNDLI-VCHYOVAHSA-N	366.424	4.667	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	1776384183	UYVYKOVLPZLEPN-QPEQYQDCSA-N	367.355	4.658	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)c(OC(F)F)c1	83015499	QGWYTCMPZDZFJC-SDQBBNPISA-N	350.390	4.941	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)ccc1OC(F)F	105570718	XIKJEHCKNZUXSA-JYRVWZFOSA-N	363.385	4.847	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(-c2ccccc2)ns1	108828152	OKSAHYBSRPFPNT-CYBMUJFWSA-N	365.549	4.858	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(-c2ccc(F)cc2)on1	133258819	AWOIMUZGIJECTA-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)c1	155662995	YNWKWKDMQKBBMH-UHFFFAOYSA-N	374.444	4.704	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1	176219611	RBIJLNWTVLMNKK-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183467330	IHQGKLDHPYOWAL-SNVBAGLBSA-N	372.359	4.684	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccccc3C(F)(F)F)cc2C1	254842758	WSKPNRLGALDCNL-LLVKDONJSA-N	366.408	4.656	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	726594155	HOOASDIIHQHAND-VGSSETLESA-N	351.406	4.525	50	20	FJGD	
O=C(NN=Cc1ccc(Br)cc1F)c1cccc2ccccc12	741465943	ZMIOBVKWSHOEAA-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
COc1ccc(NNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1	746885755	DJRQXUSVFBRMJK-UHFFFAOYSA-N	367.257	4.974	50	20	FJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2c(Cl)cccc2Cl)s1	763613153	QEJWUAVOKBDTLF-FPLPWBNLSA-N	370.305	4.904	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	764411672	NJVYHYOMPVWNLU-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	764413278	ZCBDEXXDDBNUFS-TWGQIWQCSA-N	353.230	4.609	50	20	FJGD	
COc1cccc2cc(C(=O)NNc3c(Cl)cc(F)cc3Cl)oc12	767405821	VGPGSZSITMPLBB-UHFFFAOYSA-N	369.179	4.644	50	20	FJGD	
CCC[C@@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccccn1	768072878	QYMWFIHGCMGVFB-CQSZACIVSA-N	371.243	4.695	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc3ccsc23)cc1C(F)(F)F	768312330	YCFGBYBECJPSJW-UHFFFAOYSA-N	361.348	4.549	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3c(F)cccc3Cl)c2)cc1	770198260	RYQBEFDMVBOYBL-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	771330454	IKPMHLYVYIQYOK-OAHLLOKOSA-N	364.424	4.583	50	20	FJGD	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146973	YXPHZPLGTCYALW-WUXMJOGZSA-N	364.254	4.543	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)c2cc(SC)ncn2)cc1OCC	773177653	WODLAFJEHAKPSW-YBEGLDIGSA-N	369.490	4.840	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3cccc(Cl)c3)cc2)cs1	775467785	JGXFOALTKAKRFA-UHFFFAOYSA-N	358.854	4.921	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)CCCC[C@H]1CCSS1	777481919	YCDDCEZGOHVQJO-HNNXBMFYSA-N	361.536	4.700	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc2ccsc12	779209099	LRTFIQNPCUBDPK-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
COCc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)oc2ccccc12	780803730	NVUALYYFPLSGPL-UHFFFAOYSA-N	352.434	4.634	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)c1ccc(Cl)cc1F	782886699	GIQVXADOSZIHAL-LFYBBSHMSA-N	362.187	4.857	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12	797077622	WIIXMMJAFKEGET-LCYFTJDESA-N	356.303	4.856	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cn1	806568372	VWQQADGBFMPPGG-JYRVWZFOSA-N	353.376	4.583	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	808870012	RDGYYAXRPRDXBP-LLVKDONJSA-N	371.334	4.612	50	20	FJGD	
C[C@@H](Cc1cnccn1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	834743640	FRARJDLAFICIJJ-IINYFYTJSA-N	361.820	4.739	50	20	FJGD	
CC(C)(C)c1nnc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)o1	844347392	ZBKMHVUHGARESZ-UHFFFAOYSA-N	367.610	4.601	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc([N+](=O)[O-])ccc3Cl)c[nH]c2c1	920068150	JSCXZFMILRNNOC-QPEQYQDCSA-N	365.776	4.828	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cc3[nH]c(C(=O)O)cc3o2)cc1	1776271684	XUJYYAURWCXCEA-MDWZMJQESA-N	362.385	4.546	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)C(=O)Nc1ccc(F)cc1	63275663	BPKNIEZNLYLTQO-GHXNOFRVSA-N	355.419	4.556	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	158661281	ORLSIKRSZWVMFM-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@H]1c1ccc2ccccc2c1	178487218	QETKENJAGDXDHW-LEWJYISDSA-N	353.425	4.635	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	182204146	KAWKPOAVXQAGNN-FYWRMAATSA-N	360.369	4.626	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc3ccccc3n2Cc2ccccc2F)c1	195630894	DGXMSQXRPQPBGP-UHFFFAOYSA-N	373.431	4.894	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1)c1ccccc1	208392109	ADDAACDLCQGCKQ-SUCHYCSPSA-N	360.388	4.870	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2nc(-c3ccccc3)c[nH]2)c(C)c1	255328452	XGZSMNLWTIXZAV-WOJGMQOQSA-N	356.429	4.548	50	20	FJGD	
CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	365172501	WVZPZAHIPQSAQE-CQSZACIVSA-N	372.359	4.541	50	20	FJGD	
O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)NNc1ccccc1	734263515	LGRZRPOMSXCUDC-ZUTUBDCJSA-N	369.468	4.610	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@H]1CCCO1	743055597	GNEAYISCWPZNKC-CFINBHSISA-N	361.869	4.810	50	20	FJGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccc(Cl)c(F)c2)cs1	746698373	CXBCUNQFLFZAIW-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(F)cc1C	748570932	OOGGNVJTKSVNMY-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)/C=C/c1ccc(Cl)s1	748744622	UKVSQBZVDFSBTO-QPJJXVBHSA-N	371.687	4.629	50	20	FJGD	
CCSc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	751998301	UYVBRZOIYYNYKY-MTOJCTJASA-N	354.450	4.722	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(OC(F)(F)F)cc1	763614844	IHFYHUPNJHTJCB-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CC(C)(C)c1cc2c(O)nc([C@H]3CC[C@@H](Br)C3)nc2s1	765980742	DJUYOAMEGLMZOY-DTWKUNHWSA-N	355.301	4.725	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=CC1CCC(C(F)(F)F)CC1	767370696	LUPGUTKODWLBSO-UHFFFAOYSA-N	362.395	4.853	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1cc(F)cc(F)c1	772175126	FSFPVHRNRORSCY-LHHJGKSTSA-N	369.758	4.594	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)c1ccccc1C(F)(F)F	777481966	OPGSNKFWKGFLRP-ZDUSSCGKSA-N	373.378	4.809	50	20	FJGD	
CCC1(C=NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCOCC1	781126142	ACZSVMNNDVXNHH-UHFFFAOYSA-N	351.450	4.668	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1nc(C(C)C)n2ccccc12)c1ccccc1	787176422	BSAIFWUXIMXRTG-BSKAQADGSA-N	372.472	4.632	50	20	FJGD	
COc1cc(NC(=O)NNc2ccccc2C(F)(F)F)ccc1Cl	788757508	IWMFPXKFIWIOQM-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1	796985408	XIPCKLLFOAUQBN-MFOYZWKCSA-N	364.792	4.557	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(C(F)(F)F)s1	802965220	CHYQGXBAQJAGGP-UHFFFAOYSA-N	373.158	4.970	50	20	FJGD	
CC(C)(C)N1CC[C@@H](NCc2cccc(S(F)(F)(F)(F)F)c2)C1=O	818114705	XLKMLWBBVIOPTE-CYBMUJFWSA-N	372.403	4.833	50	20	FJGD	
C[C@]1(CN[C@H](c2cccc(Cl)c2)c2ccccn2)C[C@H]1Br	851856702	ZKPNMZRMOLVYMM-BRWVUGGUSA-N	365.702	4.588	50	20	FJGD	
CCN(N=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)OC(C)(C)C	1776109921	GGXHTHWZQWMPAM-UHFFFAOYSA-N	368.433	4.643	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(OC(F)F)cc3)n2)cc1	7212253	HUHDUIKLCYGAPL-XNTDXEJSSA-N	353.328	4.711	50	20	FJGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F	179609230	JJVUCTMLMUNWKN-WYMLVPIESA-N	361.355	4.681	50	20	FJGD	
NC(=O)c1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)s1	186056226	VVZVPXYLSCHCNM-UHFFFAOYSA-N	372.340	4.757	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(C#N)c3)n2)cc1	255830605	AWAHRRTWXLCAHH-LICLKQGHSA-N	373.437	4.763	50	20	FJGD	
O=C(CSc1cccc2cccc(Cl)c12)NNc1ccc(F)cc1	301236748	AYXHOUYWSSYWDZ-UHFFFAOYSA-N	360.841	4.868	50	20	FJGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	748244121	JHNCJVNHYVGDLL-OAHLLOKOSA-N	354.450	4.791	50	20	FJGD	
CC(C)c1ccc(SCC(=O)NNc2ccc(OC(F)F)cc2)cc1	748654433	PGVBYZXSBHFPKT-UHFFFAOYSA-N	366.433	4.647	50	20	FJGD	
COCCOc1ccccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	751446148	IECUCMUHOWITOL-GXDHUFHOSA-N	354.406	4.525	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c2ccccn12	755626450	MEDQIMNMYDWHSJ-PTNGSMBKSA-N	354.413	4.729	50	20	FJGD	
COc1ccc(NNC(=O)CCCc2cc(Cl)sc2Cl)cc1	755776541	JNUWQYOIIAPTEB-UHFFFAOYSA-N	359.278	4.530	50	20	FJGD	
COc1ccccc1/C(C)=C/C(=O)NNc1c(Cl)cccc1Cl	763611129	UEVKENGNJJDMQO-ZHACJKMWSA-N	351.233	4.549	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCc3ncccc32)c(C)n1C1CCCCC1	770318828	TYAQBCYKLBIZJQ-RGEXLXHISA-N	374.488	4.501	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)ccc1[N+](=O)[O-]	774561864	QYCPDVUTDNCRDP-OVCLIPMQSA-N	374.343	4.886	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](c1cccc2ccccc12)C(F)(F)F	776007164	AIZFKGRETSGPDC-QGZVFWFLSA-N	359.351	4.770	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1cccc(C(F)(F)F)c1	782370426	UQNWSMJSFDZKSQ-WJDWOHSUSA-N	367.330	4.681	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1C[C@H](c2cccc(F)c2)C1	798031890	FZJXWHUUIKTPLR-XIRDDKMYSA-N	353.528	4.902	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cc1	798982723	OEBMHLOVXXWHHI-SECBINFHSA-N	360.738	4.745	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccccc2)cn1	799706006	SULPXVFHPHBUTH-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	810197724	UEUFGZUQQWCRCK-MOSHPQCFSA-N	358.441	4.676	50	20	FJGD	
CC(C)(C)[C@@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179777	SECURWBXNFCMGJ-LLVKDONJSA-N	361.380	4.839	50	20	FJGD	
C[C@H]1CCC[C@H](N(C)CCP(=O)(c2ccccc2)c2ccccc2)C1	917100438	OFFNDNPASIXRJP-PMACEKPBSA-N	355.462	4.511	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1	921138492	OHJIUNUROFZYMT-DXNYSGJVSA-N	362.212	4.800	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)c1nc(N)c2ccccc2n1	1116768727	TYAJGMVAMRDMEU-YFHOEESVSA-N	359.191	4.722	50	20	FJGD	
Cc1ccc(NNC(=O)c2c(Br)sc(C)c2C)cc1Cl	1256580498	GVAOOCGCKLVZDO-UHFFFAOYSA-N	373.703	4.846	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc(C)oc2C)c1C	1318053732	ATJVLTULURFAFF-VUQQOUJSSA-N	353.466	4.509	50	20	FJGD	
Cc1nn(C)cc1CCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	1343610705	GHSYAOLTBFKQRJ-UHFFFAOYSA-N	369.359	4.957	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)O)c2F)cc1	1776697490	FYJJBFSFYYOYLI-RERGGYADSA-N	366.392	4.583	50	20	FJGD	
Cc1ncc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)s1	112227460	FSWSCTLLDCFNEL-NSCUHMNNSA-N	362.669	4.568	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccc(F)cc1	733205036	IFNKMTLEKVUBBY-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
CCC[C@@H](NC(=O)NNc1ccccc1)c1cccc(C(F)(F)F)c1	734277103	XWIKBEHLYXGYFD-MRXNPFEDSA-N	351.372	4.873	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(S(C)(=O)=O)cc2)CC1	741467956	BGUXASXLQSJTGU-XMHGGMMESA-N	373.518	4.563	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1oc2c(C)cccc2c1C	748745040	YLIRQXXZFJDCGL-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)N(CC(F)(F)F)C1CC1	761476443	IQZYGYGLMQZVQV-XVNBXDOJSA-N	369.195	4.515	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)s1	764324461	NZMDYLGUABBNPK-UHFFFAOYSA-N	367.396	4.693	50	20	FJGD	
O=C(NN=CCc1ccc(F)cc1Cl)c1ccc(Cl)cc1Cl	766431570	OGYYLYVLXFDABJ-UHFFFAOYSA-N	359.615	4.744	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1C1CC1	768092954	BJRHNGDNHVJWPG-UHFFFAOYSA-N	351.233	4.636	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1ccccc1COCc1ccccc1	769958246	SFPLMJLYRIIFCU-UHFFFAOYSA-N	365.408	4.691	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	773172331	QLYRIOSQPHXXPR-XQRPABFOSA-N	354.312	4.609	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@@H](C)[C@H]3C)s2)cc1	781124068	UNDJFGGINJSZPR-CHWSQXEVSA-N	371.506	4.548	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(F)cc2F)cc1)c1ccccc1	788512826	KEFWRKKHDVJHNM-CQSZACIVSA-N	368.383	4.862	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(F)c(Cl)c1F	791716009	KJNPNWMRBKDIIX-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
CCO/C=C(\C#N)C(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1	792552943	RJDPQPMJFSPMJM-VOGRQWBCSA-N	366.383	4.593	50	20	FJGD	
O=C(O)CCCOc1ccc(C(=O)/C=C/c2cccc(CCl)c2)cc1	799889306	MJQKLGXPIOARSR-IZZDOVSWSA-N	358.821	4.565	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H](C)CN1	841190175	LTRQQRNZHRMTHX-UWVGGRQHSA-N	359.364	4.558	50	20	FJGD	
CCc1nc2ccccc2c(C(=O)NNc2ccccc2C(F)(F)F)c1C	912639328	JDJYCPRQTXCDFZ-UHFFFAOYSA-N	373.378	4.881	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cccnc2)c(C)n1C1CCCCC1	912691445	KXWOVEJFROPHDO-NDENLUEZSA-N	363.461	4.656	50	20	FJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3ccsc3)c2C)cc1	917622749	WQSQMHRWLUROMW-WOJGMQOQSA-N	362.454	4.954	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	1115851357	OKVLCYALWZDWAN-WJDWOHSUSA-N	359.404	4.697	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)c1nc(N)c2ccccc2n1	1320084883	QKHKAHALOAYAQO-XFXZXTDPSA-N	354.385	4.591	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccccc3)o2)c([N+](=O)[O-])c1	6381625	PJBJMCFIUGSMCW-PTNGSMBKSA-N	374.352	4.653	50	20	FJGD	
Cc1sc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1-c1ccc(F)cc1	151816820	JYGSGXKXSIVTSB-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1	158865776	ODOXXZDAARDVIS-UHFFFAOYSA-N	357.413	4.724	50	20	FJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	192568281	POXRBUDEEDCZQI-ILYHAJGMSA-N	373.481	4.874	50	20	FJGD	
CC(C)C1(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	293731780	PBEJPNYBADOFIT-UHFFFAOYSA-N	372.359	4.587	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1cccc(F)c1	588597583	VPVGGRWVBDHVOC-AWNIVKPZSA-N	367.273	4.696	50	20	FJGD	
O=C(Cc1cc(Cl)ccc1Cl)NNc1cccc(C(F)(F)F)c1	728716413	BERWYNBJAZJVCS-UHFFFAOYSA-N	363.166	4.698	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1Br	742432455	WMKFWJKFJMKGHN-WDZFZDKYSA-N	350.599	4.794	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cccc(OCc2ccc(Cl)cc2)c1	748089742	NAZICGGLGUMXFT-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	751513222	FWDUWPFNVYXKFU-WQLSENKSSA-N	369.833	4.642	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCSc2ccccc21	752809714	AFZUITCVEJQPKK-GFCCVEGCSA-N	353.274	4.716	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(Cl)s1	754154069	UIVQDJHTEHFJIU-SSDOTTSWSA-N	366.767	4.806	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2nc(Cl)cs2)c(C)n1CC(F)(F)F	759075187	HGIYCHDEVMGHRR-ONNFQVAWSA-N	373.787	4.567	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C)nc3)n2)cc1	764888704	SQPQSCNEZMGXFS-VCHYOVAHSA-N	374.469	4.622	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1C#N	766290119	NPGDZLGGBFOILL-VIZOYTHASA-N	358.294	4.814	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)C1CCCCC1	767713825	MLOWPKNOCXWWAX-OQLLNIDSSA-N	367.430	4.775	50	20	FJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CC=C(C#N)CC5)(C4)C2)C3)cc1C	780685483	POFOAVBFZRQCQK-AGYDLCDTSA-N	374.528	4.824	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(Oc2ccccn2)c1	781097515	PINDDOIXQNWREZ-HNNXBMFYSA-N	363.255	4.622	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)cc1	782199870	JWVKFTPFOXBWDJ-UGMNDJHYSA-N	354.431	4.505	50	20	FJGD	
Cc1cccnc1NNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	791210813	BTGWFIFWAFDIGR-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1C(F)(F)F	791721998	GJBNMAFEPGRLPR-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)oc2c1	795191941	IDMIJCAVVILJJC-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c2ccccn12	812246224	GQEMDLUOCASPEN-LCYFTJDESA-N	356.351	4.936	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)F)cc(C)c1OCc1ccccn1	834446591	BSRSXZRHUYSUQZ-BOPFTXTBSA-N	352.409	4.502	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC(OC3CCCC3)CC2)c2ccccc2n1	834920965	VKKPWKDNYLDMHS-UHFFFAOYSA-N	365.477	4.531	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCc2cncn2C1	844139487	PAMHSBWEHBNPPP-JTQLQIEISA-N	367.343	4.742	50	20	FJGD	
Cc1ccccc1NNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1	849377524	FBVZUZAQLUBOCJ-UHFFFAOYSA-N	358.441	4.768	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1	916324417	BVHFHUINQUOTQR-UHFFFAOYSA-N	365.864	4.950	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccc(F)c(Cl)c3)cc2)cn1	1322454424	ALTYPRDIJKPGLJ-PXNMLYILSA-N	365.795	4.669	50	20	FJGD	
Cc1nn(C)c(Cl)c1/C=C(C#N)/C(O)=N/c1c(Cl)cccc1Cl	28686340	XTGKSICSLXYARA-RMKNXTFCSA-N	369.639	4.884	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)Nc1ccccc1Cl	173015078	PBHFXOYKEFVCCS-UKTHLTGXSA-N	362.763	4.530	50	20	FJGD	
N#C/C(=C\c1cc(O)ccc1Br)C(=O)c1cc2ccccc2o1	178988064	ISBJOCOWVAOVAT-NTUHNPAUSA-N	368.186	4.691	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(C)nc2C2CCCCC2)c(C)c1	181283661	QEZSMLJAOPFYBD-LDADJPATSA-N	362.477	4.630	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	212132784	ZPJPYGMITNZVFE-VBKFSLOCSA-N	358.353	4.953	50	20	FJGD	
O=C(NNc1ccc(F)cc1)[C@@H](Sc1ccccc1)c1ccccc1	301239284	IUCSMTVTVILESG-IBGZPJMESA-N	352.434	4.802	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC([C@H]2CCOC2)C1	373407887	VXIOMEXARQRUIR-JTQLQIEISA-N	372.359	4.844	50	20	FJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1	743763208	BALVROGTJXJDFD-UHFFFAOYSA-N	353.510	4.601	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2c1	763276402	IPHPFEMIYKDDLX-JLHYYAGUSA-N	352.777	4.640	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3ncnc4ccsc34)c(Cl)c12	766676743	RSABYNUNUDMVRW-UHFFFAOYSA-N	374.878	4.625	50	20	FJGD	
Cc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnc2ccccc12	767406060	ZOWYAVPCFOZIPQ-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(Oc2ccccn2)cc1	768141704	ATTXWNCQRFDPJZ-HNNXBMFYSA-N	363.255	4.622	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3cccc4ccsc34)c(C)cc2c1	768392757	UXUXQFGFJBONQN-UHFFFAOYSA-N	363.442	4.523	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1OCC	772174678	COOODPAJRZRQLK-CHHVJCJISA-N	357.356	4.552	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1	817889300	DGIXXNDEXBWFDF-UHFFFAOYSA-N	358.747	4.514	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NN[C@H](C)C(F)(F)F)sc2c1	862313983	SJVYLGKFCNOKIX-MRVPVSSYSA-N	364.820	4.863	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	915845753	VJPDAARRQKHCQA-KNTRCKAVSA-N	369.472	4.837	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C(C)CCc2ccc(C)cc2)cc1OC	920366459	PWKOBVNYQLRHOY-UHFFFAOYSA-N	368.477	4.531	50	20	FJGD	
CC(=O)Nc1ccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc1	125216391	HHYXSKIZZHNCFZ-WUXMJOGZSA-N	365.742	4.776	50	20	FJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2cccc(F)c2)cc1	154728580	LZTUGEWKLITOBS-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cccc(F)c1F	176397490	JOFOOPLCSORTJO-UHFFFAOYSA-N	360.429	4.844	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1	182363099	ZUPHEROKNRULPX-UHFFFAOYSA-N	373.428	4.770	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)ccc1OC	207931399	BEZNBVOXXOXZOM-PDGQHHTCSA-N	365.429	4.673	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C[C@@H](c1ccccc1)C(F)(F)F	728463499	SKADURAUDYTXQZ-AWEZNQCLSA-N	367.323	4.853	50	20	FJGD	
CCCCCCCCCC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	734259145	FHJKBTUDVISSTP-UHFFFAOYSA-N	369.513	4.739	50	20	FJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccccc1	734366895	CQACAOCGJVALHS-ACCUITESSA-N	350.324	4.770	50	20	FJGD	
COc1cc2ccccc2cc1C(=O)NNc1ccc(C(F)(F)F)cc1	747605873	QDWOLFCKKDKCRK-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1cccc(C#N)c1	748252920	YHRKHJBJKKHEFG-UHFFFAOYSA-N	353.853	4.586	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OCC)cc1	748583786	HARXOUBAWDIMAR-PDGQHHTCSA-N	364.401	4.736	50	20	FJGD	
Cc1csc([C@H](NC(=O)NNc2cc(Cl)ccc2Cl)C2CC2)n1	753006618	YLTQBGQKEOWRGC-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
C[C@@](CO)(NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	753926266	WZVWTAJBDXHRNI-ZDUSSCGKSA-N	360.348	4.627	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2ccc(F)cc2s1	754152442	JHRVLPDQBZYFGC-UHFFFAOYSA-N	372.318	4.955	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1CC(F)(F)C1	759767572	MSHFQORRYVFGGB-JTQLQIEISA-N	374.762	4.825	50	20	FJGD	
O=C(Cc1coc2cc(F)ccc12)NNc1c(Cl)cccc1Cl	763616271	YRKNRLXSPRKNPV-UHFFFAOYSA-N	353.180	4.565	50	20	FJGD	
O=C(/C=C/c1ccc(OCCBr)c(Cl)c1)c1ccco1	769772337	XPFFLUUEIMGNFT-HWKANZROSA-N	355.615	4.603	50	20	FJGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	769923266	VUVNEZPRRXDVRQ-UHFFFAOYSA-N	361.409	4.657	50	20	FJGD	
Cc1ccnc(Oc2cc(NC(=O)NNc3ccccc3F)ccc2C)c1	770042843	WLJBKGCQPLCYLI-UHFFFAOYSA-N	366.396	4.778	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(SC(F)F)cc2)c1	781546590	GIPYLBUOEJCMIT-LCYFTJDESA-N	360.385	4.556	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(N(C)c3ccccc3)nc2)cc1	797787199	GPGKMNRZDLWRNR-XSFVSMFZSA-N	353.425	4.948	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Cc1nc(-c2ccc(F)cc2)cs1	799758503	OMPRRERFXHEWBO-UHFFFAOYSA-N	369.465	4.506	50	20	FJGD	
C[C@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(-c2cccc(F)c2)no1	808746013	HTVCTJIWKPFAPW-ZDUSSCGKSA-N	365.525	4.548	50	20	FJGD	
N#C/C(=C/c1c(Cl)ccc(Cl)c1Cl)C(=O)NCc1ccccc1	817912431	PPNDTEOOIBYFLH-WQLSENKSSA-N	365.647	4.870	50	20	FJGD	
NC[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189980	KTXVFRKUPKUQQV-JTQLQIEISA-N	359.364	4.547	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc2c(c1)CCOC2	857574432	PHQWEQQUDBDKOC-UHFFFAOYSA-N	366.486	4.710	50	20	FJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2cc(C)cc(C)c2)cc1	862353028	QZTRHWZMQYBCQA-UHFFFAOYSA-N	358.441	4.600	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3ccco3)c2C)cc1	874082714	ZHWACWKEYZKBHK-MOSHPQCFSA-N	373.456	4.561	50	20	FJGD	
CCOc1ccc(-c2nc(C(=O)NNc3cccc(Cl)c3)cs2)cc1	914755703	QYCSRVFXXJNCKG-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)c1ccccc1	917143508	HKRLTFBVZHFHCR-SFQUDFHCSA-N	361.832	4.932	50	20	FJGD	
CC(C)(C)c1ccc(C2(C(=O)NNc3cc(F)c(F)cc3F)CC2)cc1	1318629351	AIMLZGSJFCYNOB-UHFFFAOYSA-N	362.395	4.576	50	20	FJGD	
CCO/C=C(/C#N)c1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1	1325768906	DYZKIEHBMNQDGE-YBEMTRGBSA-N	357.479	4.850	50	20	FJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1	1787658835	WQVCWTYVNVKDEL-MRXNPFEDSA-N	364.917	4.574	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)CC)cc2)c1C	15304284	DJXSKEYSQSQPOF-CPNJWEJPSA-N	364.445	4.620	50	20	FJGD	
CSc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	16388481	ODSHXJVMYZRIGO-JLHYYAGUSA-N	362.376	4.973	50	20	FJGD	
Cc1ccccc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	105388943	FQAUODSURJFRAQ-ZDKYXOAUSA-N	352.484	4.998	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCOc1ccccc1	175632828	YCTOHMXXVWNPAF-UHFFFAOYSA-N	354.475	4.792	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)n1	255426709	ASONSVUHGRPBLR-WZUFQYTHSA-N	365.361	4.840	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1csc(-c2cccs2)n1	302633580	JUMQAJOEOMCQMX-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
CCOc1ccc(OC)cc1NC(=O)CCCC[C@H]1CCSS1	729407826	UBMOSUGYWXPKJZ-AWEZNQCLSA-N	355.525	4.747	50	20	FJGD	
O=C(NNc1ccccc1)[C@H](Sc1cc(F)ccc1F)c1ccccc1	732265487	FXUMHDHJBSOLRD-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2cccnc2)c1C	733415853	OOJFLTKXSPMWIP-SYERDGIWSA-N	351.450	4.511	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1OC(F)F	735669402	LJPRMIPXGREAPA-UVTDQMKNSA-N	369.371	4.936	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1	736433172	MQKNBCQGLOUJKR-POHAHGRESA-N	363.845	4.779	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1	748661012	HPNQPIDRDCCZAU-UHFFFAOYSA-N	370.399	4.862	50	20	FJGD	
Cc1ccc2oc(C(=O)NNc3ccc(Br)cc3C)cc2c1	748741349	ZYMFEKRFQZILLQ-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CC(C)(C)c1ccc2cc(C(=O)NNc3cccc4cnccc34)[nH]c2c1	748763014	NLYIJRYXWMBLGX-UHFFFAOYSA-N	358.445	4.771	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1CCSc2ccccc21	754146657	CDRCCAGNPQODHO-GFCCVEGCSA-N	370.371	4.567	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ncccc3C(F)(F)F)c[nH]c2c1	765501793	HKNSWJJGILPLBT-WQLSENKSSA-N	355.319	4.680	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1OC	773153294	DVKUVHQXJCUFLP-RIYZIHGNSA-N	359.784	4.676	50	20	FJGD	
CC(=NNC(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788416042	VAEVSNXRUFDZGC-QWHCGFSZSA-N	353.274	4.964	50	20	FJGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2Cl)cnn1C(CC)CC	790807139	RKFOHZMNQCOAHL-UHFFFAOYSA-N	369.296	4.870	50	20	FJGD	
Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(Br)c1	791723306	UEIQRXUMCMGGFJ-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1	794953471	LKPYGRULJCQKNL-SDNWHVSQSA-N	361.367	4.803	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccoc2)cc1OCC	798229752	HONNHIAPCPNTET-OVCLIPMQSA-N	359.809	4.910	50	20	FJGD	
CC(C)CCC(=NNC(=O)c1ccc(COc2ccccc2)o1)C1CC1	802709532	QTXRSICCRBUEKY-UHFFFAOYSA-N	354.450	4.791	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(O)cc(C(F)(F)F)c2)c1C	811627539	ZNQVRAUZODDXNP-NSIKDUERSA-N	360.335	4.574	50	20	FJGD	
CC1(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC=CC1	847555226	RQCQOPHCABTQML-UHFFFAOYSA-N	370.343	4.507	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/C=C1\N(C)c2ccccc2C1(C)C)c1ccccc1	915843228	GGROLTBLGNEFOD-GRALWAAZSA-N	371.484	4.625	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3cnccn3)o2)c(C)n1C1CCCCC1	1322308386	UJAHAUKXCXWZBE-BOPFTXTBSA-N	374.448	4.514	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccc(Cl)cc1	1335060141	KQQXHOLQOWYTIV-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(F)(F)c1ccc(Cl)cc1	1338538441	LQJGXTUGAFLUBB-UHFFFAOYSA-N	364.701	4.594	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1)c1ccccc1	66405786	PNIGGUVKMUOYSK-LWLPBDFMSA-N	365.483	4.656	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c(C)n1[C@@H](C)c1ccccc1	114795201	LLVAEUAEVDPJPG-AWEZNQCLSA-N	369.415	4.749	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2nc3ccccc3s2)o1	118510397	BKSGXJLXNRGJIK-UHFFFAOYSA-N	371.368	4.591	50	20	FJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccc(Br)s1	730436535	RCGVPHFTKROGEX-YFHOEESVSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)C1CCC(c2ccccc2)CC1	743485014	DQURHXPBZOLHCP-UHFFFAOYSA-N	363.383	4.518	50	20	FJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccc(C)o3)s2)cc1	752173471	DYVLBXQPYHJIPZ-UHFFFAOYSA-N	374.853	4.514	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2cccc(Cl)c2o1	753179855	QECXZPQRKXNEQX-UHFFFAOYSA-N	354.715	4.862	50	20	FJGD	
N#Cc1ccc(NNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1Cl	753302545	IYXQJYYZJPGUFM-UHFFFAOYSA-N	368.651	4.594	50	20	FJGD	
Cc1ocnc1CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753925668	MESDMKGGGXZRRX-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1	764888088	OJQVJQLDANHWEB-AQTBWJFISA-N	355.397	4.728	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(SC(C)C)cc2)ccc1Cl	790172029	ONJKKBSUCLYGIJ-UHFFFAOYSA-N	350.871	4.606	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)cc1	794884278	OMCRMRIFDCSRHQ-FLVGQNKLSA-N	374.484	4.616	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C#N	799293320	DIOIWWFLDZMKKG-UHFFFAOYSA-N	354.624	4.584	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)cc(C)c1Br	799755628	HHLWFZPKIPFEOZ-UHFFFAOYSA-N	361.283	4.694	50	20	FJGD	
COc1cccc2[nH]cc(CCNCc3ccc(OCCCCl)cc3)c12	811487739	UEWQRFNSJUWMQW-UHFFFAOYSA-N	372.896	4.517	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCc3occc32)c1C	913090877	WDDSGLFSBCBTSJ-MTGKDYNDSA-N	365.477	4.599	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(-c2ccccc2)s1	1317941673	AIZLEARXGWESJQ-UHFFFAOYSA-N	373.275	4.935	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1	8237349	CEPUMWLNWSMCRO-TWQQJCIXSA-N	359.429	4.648	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(COCc2ccco2)c1	184152104	BDMMOAJHHUQUJV-UHFFFAOYSA-N	369.396	4.593	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OCc1ccccc1	212027973	CWZZRMZBQUOHLP-UNOMPAQXSA-N	365.429	4.523	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)Nc1c(Cl)cccc1Cl	212137567	CPPFEUAJIAPUID-CLFYSBASSA-N	353.155	4.817	50	20	FJGD	
CC1(C)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1O	279632655	UVLJOHNXGRSKTG-NSHDSACASA-N	360.348	4.579	50	20	FJGD	
CCc1ccccc1OCC(=O)Nc1c(CC)cc(SC#N)cc1CC	301581267	NOASJXAWBBFMKP-UHFFFAOYSA-N	368.502	4.964	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)N(CC(F)(F)F)C1CC1	732715436	VUSLRYNXUHDMEU-PDGQHHTCSA-N	370.374	4.814	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccco2)s1	747588833	UYMQBCFQCPLCQP-UHFFFAOYSA-N	352.337	4.784	50	20	FJGD	
O=C(CCc1ccc(Cl)cc1Cl)NNc1cccc2cnccc12	748754811	ZXMVRYMYAKDQCK-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)ccc1OCC(F)(F)F	750902107	VIMKUEMSJVIZMO-ZSOIEALJSA-N	369.383	4.939	50	20	FJGD	
C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	753468140	ACUFGRRFLACPFT-JTQLQIEISA-N	373.840	4.802	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1ccc(Oc2ccccc2Cl)cc1	754477933	NQWARUHCBVEEHS-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
C[C@@H](CC(=O)c1cccs1)NC(=O)CCCC[C@H]1CCSS1	765207896	NDKGTEROPLWTMU-STQMWFEESA-N	357.566	4.540	50	20	FJGD	
COc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1C1CC1	768089781	BZBBAHNWHXWEPS-UHFFFAOYSA-N	351.233	4.636	50	20	FJGD	
CCSc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1	769781676	KCUKZDOWDLHXNZ-UHFFFAOYSA-N	353.274	4.869	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cc(-c2ccccc2)on1	770043631	YQPFMBAQTBQDEU-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
COc1cc(NNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1Cl	790168503	MCLGMLPGBMEEMY-ZWKOTPCHSA-N	366.848	4.749	50	20	FJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1c(C)cccc1C(C)C	812765911	ZGYTYLJXEXGTGC-UHFFFAOYSA-N	373.478	4.896	50	20	FJGD	
CCCCCc1nnc(NC(=O)CCCC[C@H]2CCSS2)s1	901199666	KULZOLGAZJUILM-LBPRGKRZSA-N	359.586	4.923	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)C(=O)c3ccccc3)c2C)cc1	915841343	FIMVMKLVPVYWLH-BKUYFWCQSA-N	355.441	4.647	50	20	FJGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)c1ccc2ccccc2c1	920374405	CWRDKWURRBVPDK-UHFFFAOYSA-N	363.467	4.789	50	20	FJGD	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)NC3CCCC3)cc2)cc1	14178520	QVYUHAYMNNZXDG-XSFVSMFZSA-N	360.457	4.540	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	184373698	RZFQBIQYTBIDJW-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CCCN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	193193613	WCONQWVGVIQMBS-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1ccccc1C(F)(F)F	209261023	XIONNUCFXXNSJY-YRNVUSSQSA-N	363.364	4.585	50	20	FJGD	
Cc1ccc(F)c(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1	303665953	NYATUDBLKVDXDM-QPEQYQDCSA-N	370.232	4.779	50	20	FJGD	
Cc1cc(Br)cc(/C=C(/C#N)c2ccccn2)c1OC(F)F	588393610	JDEVJSGADPLBCV-GHXNOFRVSA-N	365.177	4.818	50	20	FJGD	
N#C/C(=C/c1csc(COc2ccccc2)n1)C(=O)c1cccc(F)c1	588597169	AATAQWGFILVODU-GDNBJRDFSA-N	364.401	4.651	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)C(=O)c1cccc(F)c1	588597508	MOKCBIZQVKHOTI-WJDWOHSUSA-N	363.367	4.557	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	726594154	HOOASDIIHQHAND-OMJMQIJPSA-N	351.406	4.525	50	20	FJGD	
Cc1ccc(OCCNC(=O)CCCC[C@H]2CCSS2)c(C)c1	726610146	HYZCIKOKVHJLQO-INIZCTEOSA-N	353.553	4.513	50	20	FJGD	
Cc1ccc(O[C@H](C)CNC(=O)CCCC[C@@H]2CCSS2)cc1	742717989	KLFDTFULFAYTLP-NVXWUHKLSA-N	353.553	4.593	50	20	FJGD	
C[C@H](C(=O)NNc1ncccc1C(F)(F)F)c1ccc2ccccc2c1	753340386	PAVSZRMBMWOEJS-LBPRGKRZSA-N	359.351	4.500	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1Br	765613380	QQHSYHASSGUBJR-RMKNXTFCSA-N	365.133	4.700	50	20	FJGD	
CC(C)OCc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1	775563182	WPWYTVDUERONFW-UHFFFAOYSA-N	367.371	4.779	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc(Cl)n1	777403953	QQZCFJHBDQXHIA-UHFFFAOYSA-N	365.047	4.761	50	20	FJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3cc(Cl)ccn3)o2)c1	778447999	YBMRFIHCPLLMTF-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	787325224	KFFNKTGWODRLCR-PGNDWZGLSA-N	366.848	4.610	50	20	FJGD	
O=C(NN=C/C=C\c1ccc(F)c(F)c1)c1c(Cl)cccc1Cl	794905654	XTALVWXURXZRHG-UJMGHZEASA-N	355.171	4.701	50	20	FJGD	
CC(C)c1nnc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)s1	844344785	INQYYEWMUYUNEY-UHFFFAOYSA-N	369.651	4.895	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3ccccc3C)cs2)c1	1248407162	DQDOFLXROLTSGF-YBEGLDIGSA-N	360.438	4.917	50	20	FJGD	
O=C(/C=C/c1cc(Cl)cc(Cl)c1)NNc1ccc(OC(F)F)cc1	1340925299	RDBABTCBVHNHFD-LZCJLJQNSA-N	373.186	4.751	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(C)cs3)o2)cc1	8079525	RNXWBZFTKLSRSZ-MHWRWJLKSA-N	364.426	4.952	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl	25889979	DTZPZPREKBKXCJ-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	64359952	SZXMFEQOQLMIMI-JYRVWZFOSA-N	360.804	4.567	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-]	211511475	KIHCCNCWNUXARR-BOPFTXTBSA-N	357.369	4.602	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2OC(F)F)c1C	212039581	TXOLJZHGRUGHPK-WJDWOHSUSA-N	356.372	4.682	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1cccc2ccccc12	727975187	BHWSQKSZTOLLGO-RIYZIHGNSA-N	352.315	4.803	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(F)cc1	730589696	OKMCAJPILQLALG-PTNGSMBKSA-N	362.316	4.784	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)ccc1Oc1cccnc1	732804386	IWFZHUOBACFHMB-AQTBWJFISA-N	362.429	4.965	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccccc1Oc1ccccc1	734552078	MCFBTYAVCWQRKC-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)[nH]c12	735669442	OQXZNRYAFQBNFQ-QINSGFPZSA-N	369.384	4.634	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3nc4c(C)ccnc4[nH]3)cs2)cc1	741473916	UUKVNFGJFCANLF-OQLLNIDSSA-N	357.442	4.762	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(O)c2)c(C)n1C1CCCCC1	747690202	DUVRYOOBMPVTBJ-PDGQHHTCSA-N	363.461	4.861	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1ccc(SC(F)F)cc1	759074403	VWZSRJRFGPKDSM-VMPITWQZSA-N	371.821	4.657	50	20	FJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccccc1Br	759660310	VCRZEISLBZQQJC-PKNBQFBNSA-N	365.658	4.649	50	20	FJGD	
COCc1c(C(=O)NNc2c(Cl)cccc2Cl)oc2ccccc12	763623519	GAZVRIHHAZGNQZ-UHFFFAOYSA-N	365.216	4.643	50	20	FJGD	
CC(C)Cc1csc2nc([C@@H]3CC[C@@H](Br)C3)nc(O)c12	765983313	SYCPVJUNTVJGLZ-MWLCHTKSSA-N	355.301	4.626	50	20	FJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2cc(F)c(F)cc2F)C1	767093173	IWBNTSMTNKJYHA-UONOGXRCSA-N	372.431	4.703	50	20	FJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	767351894	LVWNTZXXVKYGMY-CXUHLZMHSA-N	352.242	4.640	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(F)c1	772177924	CCQOJFNAWIQSAD-RVDMUPIBSA-N	362.316	4.784	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)ncn1	773174803	YADJKMJLDNSDGA-AUWJEWJLSA-N	350.472	4.695	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC(F)(F)C1	776466037	LBYKMDWRSAKTSZ-SNVBAGLBSA-N	374.762	4.779	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)c1cc2sc3ccccc3c2s1	778449340	JQJLQDHIAHEWIX-UHFFFAOYSA-N	359.863	4.921	50	20	FJGD	
Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CC=C(C#N)CC3)c2cc1C	780687300	PUKJPOJHTQVDIP-UHFFFAOYSA-N	367.452	4.815	50	20	FJGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNc1ccc(C(C)(C)C)cc1	780802926	WBKPQJQTBOLMSX-UHFFFAOYSA-N	367.424	4.844	50	20	FJGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1nc2ccccc2n1C(F)F	785350157	FQUQCOOLTVVSET-WZMONFQBSA-N	367.355	4.643	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(OC(C)C)c(C)c2)ccc1Cl	788620065	NCZQBPWGPMAEGF-UHFFFAOYSA-N	363.845	4.593	50	20	FJGD	
N#Cc1ccc(NC2CC2)c(NC(=O)CCCC[C@@H]2CCSS2)c1	803320358	RPDVEXGUXGQECU-OAHLLOKOSA-N	361.536	4.785	50	20	FJGD	
COC(=O)C[C@H](C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808735410	VBIZURDQQKBDMM-SECBINFHSA-N	361.332	4.872	50	20	FJGD	
CC1(C)CNCC[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178103	AGNMMVVACOADGI-GFCCVEGCSA-N	373.391	4.854	50	20	FJGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNc2cc(C(F)(F)F)ccn2)cc1	857513741	JQPYVPNEFYHQNO-ZDUSSCGKSA-N	365.399	4.546	50	20	FJGD	
Cc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	912596276	GLFJXQFFWFMHMH-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(F)F)c1	915984311	VZTQCORLBLWSEN-MDWZMJQESA-N	362.763	4.796	50	20	FJGD	
CC(C)(C(=O)NNc1cccc2cnccc12)c1ccc(Cl)c(Cl)c1	1324478369	PWSGXYXHZBARLC-UHFFFAOYSA-N	374.271	4.963	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1c(Cl)cccc1Cl	78561038	CTWYYJATEBVPOO-YFHOEESVSA-N	353.155	4.817	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)c(-c2cccnc2)n1	141488930	UQJSAONFHKERHW-LDADJPATSA-N	370.456	4.569	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1OC	176918830	ORXZGGHAKNACAO-VGOFMYFVSA-N	358.463	4.747	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H]1C=CCCC1	183575968	WTQOFBFKOXLJGH-SNVBAGLBSA-N	370.343	4.507	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1CO	192262229	SDSOJKLLZPWNKB-SKDRFNHKSA-N	360.348	4.579	50	20	FJGD	
Cc1cccc(NNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1	195662100	VKGCGKKUKJIYAZ-NSHDSACASA-N	355.290	4.926	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccccn2)ccc1OC(=O)c1ccccc1F	211370471	WELDWVIBUAZECJ-VBKFSLOCSA-N	374.371	4.513	50	20	FJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccccc1F	734366357	OMGNENPMJMHROI-ZRDIBKRKSA-N	368.314	4.910	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(-c2ccccc2)nn(C)c1Cl	734752603	HQNFVNSFOFKYKL-GXDHUFHOSA-N	367.861	4.900	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1	742110792	COVWBOXXNJDMEY-CSFVIODGSA-N	374.484	4.644	50	20	FJGD	
Cc1ccccc1O[C@@H](C)CNC(=O)CCCC[C@H]1CCSS1	742142554	MUUZATWWQLNYRO-HOTGVXAUSA-N	353.553	4.593	50	20	FJGD	
CO[C@@H](CNC(=O)CCCC[C@H]1CCSS1)c1cccc(Cl)c1	742865382	NTNQQNLNLIWDCB-HOTGVXAUSA-N	373.971	4.858	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@H]1CCSS1)Oc1ccc(Cl)cc1	742875530	JNKBOBCKLOTPCL-CJNGLKHVSA-N	373.971	4.938	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccc(C(F)(F)F)cc1	747609170	MWMWKPUJUQRAFI-UHFFFAOYSA-N	357.401	4.525	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc(Cl)c1OC	764892640	XQQPWIPDOBTKRK-SXGWCWSVSA-N	355.821	4.846	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC(C)(C)C[C@H]3C)s2)cc1	766002678	POGQEUDBRGVJRT-GFCCVEGCSA-N	371.506	4.548	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1Br)c1nc(-c2ccccc2)no1	767717042	HDQYHYCCUBQYAQ-MDWZMJQESA-N	370.181	4.702	50	20	FJGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1ccc(OC(F)F)cc1	776268463	PNJSLJQKPUMKOZ-WJDWOHSUSA-N	350.324	4.626	50	20	FJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1ccc(OC(F)F)cc1	780004249	JJTWILJHIQWJEX-LICLKQGHSA-N	350.324	4.626	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cc1	788361734	CKWOIHCNRVFALT-NGWPFTMJSA-N	358.422	4.982	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccsc2)c(C)n1CC(C)C	801017441	XVKDJBUVIUPIEW-VRKJEAOJSA-N	355.507	4.607	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)c1ccco1	817933732	PXPOCOHWMDWNNF-RAXLEYEMSA-N	350.355	4.706	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1	820921605	MWBYGTIZVMKQDH-IBGZPJMESA-N	362.477	4.507	50	20	FJGD	
C[C@]1(CNC(=O)c2c(Cl)ccc(Cl)c2Cl)C[C@@H]1Br	857690580	WBSPYTQYMAQHLG-QPUJVOFHSA-N	371.489	4.550	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnn(C4CCC4)c3)n2)cc1	899344587	UALYBAVUAJSVGR-SXGWCWSVSA-N	362.458	4.804	50	20	FJGD	
CCOCc1nnc(NCc2cccc(S(F)(F)(F)(F)F)c2)o1	905411045	DPKWKGUJAINKQZ-UHFFFAOYSA-N	359.320	4.876	50	20	FJGD	
Cc1cccc2cc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c(Cl)nc12	915843585	IMHTYUUKBVJSNK-GOYIASJBSA-N	367.880	4.799	50	20	FJGD	
Cc1cccc(OCc2nnc(CCCC[C@H]3CCSS3)o2)c1	1261426102	ATFYUNGDPANMAM-HNNXBMFYSA-N	350.509	4.824	50	20	FJGD	
CC(C)CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1	1776044946	WVYFBBMYNXBUFA-UHFFFAOYSA-N	373.840	4.610	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1c(Cl)cccc1Cl	6209923	CPPFEUAJIAPUID-VQHVLOKHSA-N	353.155	4.817	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cccc1OCC	7158530	MNQSGYGDCFBGAW-NBVRZTHBSA-N	364.445	4.728	50	20	FJGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNc1nccc2sccc12	734248289	OWFWJNNXWUZMSK-CYBMUJFWSA-N	369.490	4.504	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CC=CCC2)c(C)n1C1CCCCC1	736055328	QNFVPWNEIAQNBK-STIKNRRDSA-N	351.494	4.742	50	20	FJGD	
CC(=NNC(=O)c1ccccc1)[C@@H](C)Oc1ccc(Cl)cc1Cl	749853653	RZAQHXJKVPTAIY-GFCCVEGCSA-N	351.233	4.567	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Br)c(Br)c1	757525952	JLUZLSSFNURVEV-WDZFZDKYSA-N	371.072	4.734	50	20	FJGD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	770879089	AQUYBFKTSMQILV-SKDZVZGDSA-N	371.543	4.732	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2ccc(Cl)s2)n1	771701923	QONHHZISIGADTF-UHFFFAOYSA-N	367.858	4.729	50	20	FJGD	
CC(C)Sc1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cn1	775670612	IGWNCXHSPWAIHG-UHFFFAOYSA-N	370.400	4.750	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(Cl)c(F)c3)s2)o1	782018496	NDEGHELGASWUNO-UHFFFAOYSA-N	350.802	4.866	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1	787411197	CQFFJRALZZIZAG-BRYHAGSVSA-N	360.413	4.616	50	20	FJGD	
COCc1ccc([C@H]2CCCN2Cc2ccc(OCCCCl)cc2)o1	798185565	GPAFJJFHQCMFHC-LJQANCHMSA-N	363.885	4.771	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H](F)c1ccc(C(F)(F)F)cc1	801930411	PBMMRVAKSUFNCO-ZDUSSCGKSA-N	364.701	4.652	50	20	FJGD	
CC1(C)CC[C@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807451223	GPTWJLSDYBGQMO-LLVKDONJSA-N	372.359	4.587	50	20	FJGD	
O=C1CCCN1[C@@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	893984632	XEECSYUTMCDKRF-CYBMUJFWSA-N	370.387	4.541	50	20	FJGD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CCCC[C@H]2CCSS2)C1	919701777	HMEASEPEPGIOAN-ZACQAIPSSA-N	372.644	4.573	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3cnn(C)c3)cc2)c(C)c1	1325015169	KEAAVGQVOOGUGQ-JAIQZWGSSA-N	370.456	4.558	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	6209803	WOUFDEGWJXGIIQ-CPNJWEJPSA-N	372.424	4.793	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	7160058	AVGYUUFRSNSHDP-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1	126674030	HVYAZEWHLDLKLV-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1ccc(C(F)(F)F)cc1	153773455	DRXAUVMVXHVSQP-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccccc1Oc1ccccc1	178489658	CHQCBLPVEZVORM-UHFFFAOYSA-N	355.397	4.784	50	20	FJGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1ccc(Cl)cc1Cl	178875069	QHDIHERXWCDIAG-CSKARUKUSA-N	358.228	4.698	50	20	FJGD	
CCOCCO[C@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180332453	HZJRINLXPWUOMC-SNVBAGLBSA-N	363.348	4.724	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cn(C)nc1C1CCCCC1	181282713	SOOKGLNCEAINMG-LDADJPATSA-N	362.477	4.630	50	20	FJGD	
O=C(NCC1(O)CCCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	184414387	JWYJZPJXWLGEJI-UHFFFAOYSA-N	360.348	4.771	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2cc(F)ccc2s1	190204271	YQLZZTPDHPTBDJ-UHFFFAOYSA-N	370.327	4.696	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1SC	214924918	XKNHRSRLBQTYFS-LICLKQGHSA-N	366.486	4.888	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(C(=O)NNc2cccc(C)c2)cc1	731784124	GPFYRFAWIYNUAV-UHFFFAOYSA-N	359.473	4.778	50	20	FJGD	
CC(C)(C)c1ccc(Oc2ccc(C(=O)NNc3ccccc3)cn2)cc1	741282997	FDMPOPRFDZCTRH-UHFFFAOYSA-N	361.445	4.928	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1sccc1-c1ccc(F)cc1	746699617	JBYBUJKEEVATSH-UHFFFAOYSA-N	366.339	4.728	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1sccc1C(C)C	748737640	YGYVEFRCDVSJKN-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNc1ccc(Cl)cc1Cl	756035447	MMSWKLUCGINEAZ-MRVPVSSYSA-N	358.191	4.741	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OCc1ccccc1	758913633	RWLNNXSYJPLEOW-XDHOZWIPSA-N	357.413	4.518	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1OC(C)C	772177357	UTWIWQWZBWWXRK-VIZOYTHASA-N	357.356	4.550	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc2nsnc2c1	779774078	AQQVAWIIKKDPQQ-UHFFFAOYSA-N	368.487	4.642	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[C@@H]1CCCOC1	794884703	RCPWTHHXGKMAMF-MFYHJKBNSA-N	357.862	4.971	50	20	FJGD	
CCc1oc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1C(=O)OC	800791213	INWNDXVFSVWMSY-ZROIWOOFSA-N	364.426	4.816	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2cccc3cccnc23)cc1	803055310	YVWULIRNKPGHRJ-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3c(C)cccc3C(C)C)c2C)cc1	812767663	OSOKGFDZLKOUDP-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
Cc1cccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	916285191	XRBSLBAXIPNAHX-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1Cl)c1nc(N)c2ccccc2n1	1253571519	ZJQQAHRLAQCKQK-XFFZJAGNSA-N	374.753	4.948	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(C(=O)O)c1F)C(=O)c1cc2ccccc2s1	1777565661	JNJPNKYOKDAZOQ-XFFZJAGNSA-N	369.348	4.668	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c(C)o1	162494825	ILGDGARVHCQRAI-CHHVJCJISA-N	350.340	4.667	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc(COc3ccccc3)n2)s1	170933487	RJIIVTWAHRYWGT-NTEUORMPSA-N	366.467	4.882	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)c1nc(-c2ccncc2)cs1	173017719	VMLZWTOQLVOIAR-OQLLNIDSSA-N	369.396	4.913	50	20	FJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2ccccc2C(F)(F)F)s1	187816079	NKNLNCISLGPGSR-UHFFFAOYSA-N	365.380	4.827	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C	209645543	HAMHLFSEUQSZKJ-UVTDQMKNSA-N	374.412	4.864	50	20	FJGD	
Cc1cccc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	214142707	RRHRGUQKOXUXRL-FDXCNZBMSA-N	352.484	4.998	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnc4ccccn34)n2)cc1	255199481	VYKIQWJYSPOSAB-GDNBJRDFSA-N	358.426	4.531	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3c(C)cccc3C)co2)cc1	255583318	POWMAFMLPRUULY-WQRHYEAKSA-N	357.413	4.813	50	20	FJGD	
C[C@H](CO)CCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	274089716	TWEOEKWAVUPVQF-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
O=C(CCCC1CCCCC1)NNC(=O)c1c(Cl)cccc1Cl	727794892	VSZFQCLKJMOTFJ-UHFFFAOYSA-N	357.281	4.505	50	20	FJGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1ccccc1C(F)(F)F	732932802	YVTVDOAGFNFACO-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
COc1cccc(C(C)(C)CNC(=O)CCCC[C@H]2CCSS2)c1	749994003	VDDLTCVLBHOJDY-KRWDZBQOSA-N	367.580	4.803	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)F)c2)c1C	751244428	VDXBBGMKVXUVLA-LICLKQGHSA-N	357.404	4.998	50	20	FJGD	
CC(C)(C)O[C@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1	753917251	IJQVIXPSLCUVST-INIZCTEOSA-N	366.383	4.705	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(F)(F)F)s2)c(C)c1	761392753	PAYOXNBBTLACBR-XYOKQWHBSA-N	350.365	4.929	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761393903	UJSILTWRHPOCAY-WQLSENKSSA-N	350.365	4.929	50	20	FJGD	
N#Cc1ccc(Oc2cccc(NC(=O)NNc3ccccc3F)c2)cc1	770026926	QPSQRIFSVLJXPC-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)c1ccccc1OC(F)F	775638986	JHURQAGGJYJIRT-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1coc(-c2cccc(Cl)c2)n1	785348960	LEHMYQFKOKVRIJ-CXUHLZMHSA-N	364.788	4.645	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	787167112	DJVSBXWVLSMMEG-KKNNLYGJSA-N	357.369	4.812	50	20	FJGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1cc2c(s1)CCCCCC2	788014703	QPFULPGCBSEFCL-UHFFFAOYSA-N	360.523	4.616	50	20	FJGD	
O=C(NNc1ccccn1)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1	789352512	ONDZMCSYXXOZGK-UHFFFAOYSA-N	374.231	4.599	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OC)c1	794874695	NKBQWDTVBIFADV-JYRVWZFOSA-N	355.356	4.549	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	794874961	LLPHYNSTOPGFMJ-JLHYYAGUSA-N	353.834	4.686	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cn1	797787580	WCIHCJBDHVSSKC-QGOAFFKASA-N	357.388	4.778	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	798344368	DOERVEBAZVBGBE-KPKJPENVSA-N	363.248	4.625	50	20	FJGD	
Cc1noc(CN(C)Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)n1	847094664	XGONUHZCWQZADL-UHFFFAOYSA-N	361.562	4.532	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1	865976070	GTDLKNXZPNUPGU-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl	917143573	LSCVLZSOUFLVLN-QPIMQUGISA-N	359.716	4.788	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F	22016156	UPUWOEZZEUIWNN-XNTDXEJSSA-N	360.335	4.748	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccn2)c1	25198168	GEBAVPFLWROJSA-XMHGGMMESA-N	369.424	4.515	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)c3cccc(Cl)c3)c2C)no1	25889165	ZGOFGAXGFYNGSK-RQZCQDPDSA-N	365.820	4.834	50	20	FJGD	
Cc1c(C(=O)NNc2cccnc2Cl)oc2c1ccc1ccccc12	128475985	RRJNGSJMSFRXBP-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1	153233630	ARVQGMZFVUMPLG-UHFFFAOYSA-N	357.413	4.724	50	20	FJGD	
CCn1nc(C)c(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	297772242	KVXXZRXWTSRXDB-UHFFFAOYSA-N	356.320	4.516	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC3(CC#N)CC3)c2C)cc1	744276018	HMAXTYBPIAYHHL-MOSHPQCFSA-N	373.456	4.547	50	20	FJGD	
COc1cc(CN(C)/C(=C\C#N)c2ccc(F)cc2)c(SC)cc1OC	750801300	YKDHANIIICINOQ-MFOYZWKCSA-N	372.465	4.561	50	20	FJGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2cccc3ccccc23)c1	756829252	MRTMAKGRDFPFLW-UHFFFAOYSA-N	354.356	4.514	50	20	FJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)NCc1ccc(F)cc1F	761384353	HHLSSSCDOYSTOX-YCRREMRBSA-N	373.211	4.556	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2Cl)c(C)c1	761391921	JFZJFMVSUNHDOS-OVCLIPMQSA-N	367.811	4.822	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	766777907	HNRJUTOQSBPHGD-OVCLIPMQSA-N	367.361	4.699	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773162711	XABYCBLRRZSAIE-MLPAPPSSSA-N	362.257	4.645	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1F	779750551	APAOQDVCKKRBGD-LICLKQGHSA-N	352.409	4.695	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc3[nH]ccc3cc2C)c1C	781539596	QLKVOKNYMRSUQO-YBFXNURJSA-N	360.461	4.850	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)c1cccc(C(F)(F)F)c1	782367743	BIRZCYBEYQOWDV-CXUHLZMHSA-N	355.315	4.814	50	20	FJGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)c1ccc2ncccc2c1	794883644	CTFWTRHWQXZNOR-NDENLUEZSA-N	354.409	4.813	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)NC(=O)CO4)n2)cc1	794938906	OLNRPNGWZSMGMZ-LZYBPNLTSA-N	373.437	4.514	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	794945967	LZTDQDQIFIBQEP-MKMNVTDBSA-N	357.768	4.584	50	20	FJGD	
C=CC[C@H](CC)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	798468866	RBDAXNFETQABEG-JTQLQIEISA-N	365.389	4.977	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(-c2cnn(C)c2)c1	801648452	ZRXIBTXDJNSDHU-YVLHZVERSA-N	366.424	4.667	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cscc1C(F)(F)F)c1ccccc1	811627106	TVFPGSIIGLHPIE-DELQEKLWSA-N	350.365	4.551	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1	817911383	PYQIEVQUURBMQE-UHFFFAOYSA-N	368.383	4.787	50	20	FJGD	
CCOc1ccc(NNC(=O)c2csc(-c3ccccc3Cl)n2)cc1	817915436	NENSNDJJYAHUPC-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2nccs2)c(C)n1C1CCCCC1	915154263	MEQJRBINTNNDCB-SFQUDFHCSA-N	368.506	4.637	50	20	FJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2c(CC)cccc2CC)c1	915844066	JIKOYEGSNAJFMN-ZHZULCJRSA-N	360.457	4.922	50	20	FJGD	
N#C/C(=C/c1cc(Br)cs1)c1nc(-c2ccccc2)no1	916131388	FSXBHYDVCVDMOZ-WDZFZDKYSA-N	358.220	4.625	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccccc1Cl)c1cccc(C(F)(F)F)c1	918183937	XWGFXVLMDASHEC-SNVBAGLBSA-N	357.763	4.746	50	20	FJGD	
Fc1ccccc1OCc1nnc(CCCC[C@H]2CCSS2)o1	1118129556	UDEQRWYBLQLCOA-LBPRGKRZSA-N	354.472	4.654	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cn(C)nc1-c1cc2ccccc2o1	1318003810	ZVYSDYYUTPZCAO-BOPFTXTBSA-N	367.408	4.932	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccccn2)cc(OC)c1OCc1ccccc1	96920808	OLKDAPMEWJWIBI-UNOMPAQXSA-N	372.424	4.742	50	20	FJGD	
N#C/C(=C/c1nccn1CC(F)(F)F)C(=O)c1c(Cl)cccc1Cl	110656116	RTIBVRPMXJGARR-TWGQIWQCSA-N	374.149	4.542	50	20	FJGD	
CN(C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCC1	174796261	HWTRIQILIIWMRD-GFCCVEGCSA-N	352.809	4.922	50	20	FJGD	
Cc1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(=O)[nH]1	186052065	MLSHPNVMSVUBQK-UHFFFAOYSA-N	354.300	4.593	50	20	FJGD	
N#Cc1ccccc1/C=C/C(=O)NNc1c(Cl)cc(Cl)cc1Cl	302918811	WFCGGUYWFZHGDH-AATRIKPKSA-N	366.635	4.675	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2c(F)cccc2F)cc1F	735694856	XXGNMNCTRUDAIA-UHFFFAOYSA-N	374.337	4.975	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cnc(N3CCCC3)nc2)CC1	741469473	LHEVPTASVDWQSR-DEDYPNTBSA-N	366.509	4.549	50	20	FJGD	
CC(C)C(=NNC(=O)c1ccccc1OCc1ccc(F)cc1)C1CC1	750920002	UOOBESPHNAPXPW-UHFFFAOYSA-N	354.425	4.557	50	20	FJGD	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccc(C)cc1	764892372	WLTJNTYKSCVRPF-OQLLNIDSSA-N	356.219	4.556	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC(C(F)(F)F)CC3)cc2C1	766015302	JZTAJXYDPAWZFM-NUHJPDEHSA-N	358.429	4.711	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)C(=O)c1cccc(F)c1	773170999	KFOKAVABBRIEOA-SDQBBNPISA-N	351.711	4.870	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCC2)cc(C)c1OCc1ccccn1	781554228	IXPNUKVJRUNNQL-DEDYPNTBSA-N	360.457	4.944	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cnc(-c4ccco4)s3)n2)cc1	789130675	PWRGQYUXQZYWQZ-ZROIWOOFSA-N	360.398	4.826	50	20	FJGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1	808745975	GZSUKWAZLMQKQD-OALUTQOASA-N	367.581	4.999	50	20	FJGD	
N#C/C(=C\c1ccc(OCCCCl)cc1)C(=O)c1c[nH]c2ccccc12	811685705	AJGKIKGEPSFXOF-FOWTUZBSSA-N	364.832	4.965	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)CC(Cl)Cl)c2c1	819850379	XPLJVIBICDKADA-UHFFFAOYSA-N	351.277	4.605	50	20	FJGD	
C[C@H](CCCCN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179542	PODBIWBPKGEEMG-SNVBAGLBSA-N	361.380	4.983	50	20	FJGD	
CC1(C)NCC[C@@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190451	OYRYDRWUGUKBEW-NSHDSACASA-N	359.364	4.606	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1OC(C)C	916131445	HEIXRJCZQKZTNB-ATVHPVEESA-N	361.401	4.597	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H]1CCSc2ccccc21	918184760	OBQKGCGHTWNDQX-CYBMUJFWSA-N	367.396	4.569	50	20	FJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1	1790486018	SKTRROUUHFNWRO-INIZCTEOSA-N	364.917	4.574	50	20	FJGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	7001088	POXRBUDEEDCZQI-MHMBTURYSA-N	373.481	4.874	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)NNc3ccccc3Cl)c2)oc1C	92433619	QNRCYVDGZJZAGT-UHFFFAOYSA-N	356.813	4.760	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(Oc2ccncc2)c1	153800734	DBQCMJXMEJYGFQ-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(OC[C@H]3CCCO3)cc2)n1	176918671	HYTMPTSMRGLBAC-CFINBHSISA-N	354.475	4.888	50	20	FJGD	
COc1c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c(C)nn1C	186087672	JANBEIZIKMCXBP-UHFFFAOYSA-N	371.331	4.647	50	20	FJGD	
O=C(NN=Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	254442724	YERINYLAEQMWPL-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2nccn2CC(F)(F)F)CC1	255928615	BWAWROBKWBOJCQ-WJDWOHSUSA-N	367.415	4.918	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc(-c3ccc4c(c3)OCO4)n2)cc1	588467419	FYSFLUHPKGIBMV-PXNMLYILSA-N	374.421	4.637	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	737787337	JOPRCDHXZBFNKG-NSHDSACASA-N	356.775	4.996	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1C(F)(F)F	743336557	IZPOALPWMVRTDF-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1OCCC	743763990	ZRMRULMMFLXEGE-UHFFFAOYSA-N	370.493	4.946	50	20	FJGD	
N#C/C(C(=O)CSc1cc(F)ccc1F)=C1/Nc2ccccc2S1	746235876	KNFPDMHRIWNCNN-GZTJUZNOSA-N	360.410	4.579	50	20	FJGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1c(Cl)cccc1Cl	760209822	HHBNLKLEMKPVQI-UVTDQMKNSA-N	368.223	4.969	50	20	FJGD	
C[C@@H](Cn1cccn1)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762969080	SGEXKGVUTJLGEM-JTQLQIEISA-N	370.347	4.751	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H](c1ccccc1)N(C)C	771506344	FXBBFEOAARQTGE-WDYCEAGBSA-N	366.596	4.508	50	20	FJGD	
C/C(=C/C(=O)NNc1ncc(Cl)cc1Cl)c1cccc(Cl)c1	775266118	FPJLMVHZJZDIFC-UITAMQMPSA-N	356.640	4.588	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1)C(=O)c1ccc(Cl)s1	783688462	YHTFMXLMYJMRRK-JXMROGBWSA-N	352.640	4.954	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccnn2-c2ccccc2C)c(C)c1	794870571	VTXBHOROXAZUHU-CPNJWEJPSA-N	370.456	4.652	50	20	FJGD	
O=C(NN=C1CCC[C@H]1CCF)c1cc(-c2ccco2)nc2ccccc12	794872468	YFLRHYDBORZFNM-AWEZNQCLSA-N	365.408	4.740	50	20	FJGD	
Cc1oc(C(C)C)cc1C(=O)NNc1c(F)cc(F)cc1Br	796655051	JGLKWFHKGYLDRH-UHFFFAOYSA-N	373.197	4.509	50	20	FJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1nccn1-c1ccccc1	811507402	AOYLXFFIFRWLFZ-KRWDZBQOSA-N	369.896	4.731	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1)c1csc(-c2c(F)cccc2F)n1	815849488	CGZDBENUQYRQJO-UHFFFAOYSA-N	373.428	4.509	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1	830838285	QVVHZAFNRUWSOM-UUASQNMZSA-N	363.408	4.906	50	20	FJGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	915957888	ZJCWZEDUABAKCG-ZDUSSCGKSA-N	373.522	4.938	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)o1	16881261	STFGYEPZUMBKPO-UKTHLTGXSA-N	360.207	4.568	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(F)c(F)cc1Cl	124100499	ZHJVLTZXJFWJNX-UHFFFAOYSA-N	369.557	4.821	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	171114459	DDCLPLNXJQYZLZ-HUCUOGIVSA-N	367.408	4.676	50	20	FJGD	
Cc1nnc(-c2cccc(NC(=O)CCCC[C@H]3CCSS3)c2)o1	174385466	QPWINIFDFAZEHV-HNNXBMFYSA-N	363.508	4.698	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1csc([N+](=O)[O-])c1	175623152	GFANNHXMWGHNRP-UHFFFAOYSA-N	361.448	4.607	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)Nc1ccc(F)c(Cl)c1	213120875	TXXWPIMJVAKCIE-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccc(F)c(Cl)c1	255884864	UILCPMSHVITMNW-GHXNOFRVSA-N	369.808	4.787	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)Nc1ccc(Cl)cc1	728593334	ULQUSVODPXGXKL-UHFFFAOYSA-N	354.635	4.560	50	20	FJGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1ccnc2cc(Cl)ccc12	729514799	ICVZJWFQJMMBEF-ZDUSSCGKSA-N	369.852	4.534	50	20	FJGD	
CC(C)(C(=O)NN=Cc1ccc(-c2ccccc2F)o1)c1ccccc1	731151364	XNTMNJBKMUCWHV-UHFFFAOYSA-N	350.393	4.514	50	20	FJGD	
CC(=NNC(=O)c1cccc(NN=C(C)C2CCCC2)c1)C1CCCC1	733077857	OLMOPSCNSSSQTK-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccccc1Nc1ccccc1	734551746	UBTCHQJHZFBLPE-UHFFFAOYSA-N	357.335	4.604	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1	743055596	GNEAYISCWPZNKC-BXBHGGAKSA-N	361.869	4.810	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)c(C)c2)c1	746393051	GUMASDHOUFIQIX-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1OC	747034466	SERLLSAAELWUTL-WQRHYEAKSA-N	373.412	4.764	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cnc(-c3ccc(C)cc3C)s2)c1	748367447	SEKPPFQZGGBEPZ-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cnc4c(c3)c(C)nn4C)n2)cc1	750902480	KKYKRNLEXPEFRB-IUXPMGMMSA-N	371.469	4.773	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2cccnc2Cl)cc1F	754480437	RJUZBHBNYDKHFN-UHFFFAOYSA-N	373.790	4.746	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Cl)cc1Br	769773729	NYGPLAXCMILANI-WDZFZDKYSA-N	350.599	4.794	50	20	FJGD	
C[C@H](CBr)COC(=O)c1csc(-c2ccccc2Cl)n1	770372564	WDCFQLBNVXAEJM-SECBINFHSA-N	374.687	4.651	50	20	FJGD	
CC(C)n1c([C@@H]2CCCN2C[C@H](C)CBr)nc2ccccc21	770665895	ICBBQYVNTKQDFJ-PBHICJAKSA-N	364.331	4.785	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c(C)n1Cc1ccco1	772175263	HUSLMNRNSTVMMK-IDUWFGFVSA-N	366.367	4.814	50	20	FJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)c1ccccc1OC(F)F	775638356	CAURGTNBEFAGFB-FMIVXFBMSA-N	357.287	4.963	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H](C)c1ccc(C)o1	787265930	IQQHXDHWLMQLDS-HZGBGQKMSA-N	352.434	4.591	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)Nc1c(Cl)cccc1Cl	794931268	KAUQJFAGXFCXDL-VURMDHGXSA-N	369.154	4.523	50	20	FJGD	
CC(C)c1c(C(=O)N(C)CC(Cl)Cl)cnn1-c1cccc(Cl)c1	808248048	ATRXIXWDFJFOAE-UHFFFAOYSA-N	374.699	4.525	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cnc2ccccc2n1	811691774	TYKWPUUIGMQKEG-VZUCSPMQSA-N	371.183	4.909	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCC[C@H]2CCCCC2=O)c1C	813960231	LWTXCBACSIOLSF-WRDGEJPTSA-N	370.493	4.505	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)o2)cc1	915983399	ANMZDDQQJHLKFS-MOSHPQCFSA-N	363.438	4.902	50	20	FJGD	
O=C(Cc1c[nH]c2ccccc12)NN=CC(c1ccccc1)c1ccccc1	916340785	NIBSECJBMRHRRA-UHFFFAOYSA-N	367.452	4.645	50	20	FJGD	
CCn1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	916662571	BKRVNROFFFOGFK-UHFFFAOYSA-N	360.244	4.732	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F	1317704340	BQILIDJCMFKICJ-WDZFZDKYSA-N	369.270	4.581	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)s2)cc1	1317745432	HTLKXZQPKGVIJK-AQTBWJFISA-N	374.465	4.647	50	20	FJGD	
CC(C)c1nc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cs1	1321897842	HVUZYYDWZISCFL-UHFFFAOYSA-N	373.478	4.898	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(Nc2ccccc2)c1	73596289	HROSUJUPSSDWOP-UHFFFAOYSA-N	368.868	4.735	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)C(c1ccccc1)c1ccccc1	122768913	GANCHVWQWWRHFI-UHFFFAOYSA-N	368.383	4.563	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C3SCCCS3)cc2)c1	150850832	QZISWOYTUXJWCX-UHFFFAOYSA-N	362.495	4.760	50	20	FJGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)cnc12	172691818	PZUVLXZCFQEPNU-XYOKQWHBSA-N	356.212	4.739	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@]2(CCOC2)C1	184421454	ZIFFYRYPCMPMDX-CQSZACIVSA-N	372.359	4.988	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	206954073	LAGIKMLZTUDFFO-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1cccc(Cl)c1Cl	209917922	IPIBEINDZZSCMO-JXMROGBWSA-N	353.155	4.817	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c(Cl)nc21	255908297	QTTQCOCHDWADRO-AUWJEWJLSA-N	367.796	4.638	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)OC)o1	726118153	JMJLWJRDPDLNBW-NTCAYCPXSA-N	351.402	4.645	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)c1nc3cc(F)ccc3s1)O[C@@H](C)C2	730148036	ASKPCVPIHVBJFB-RZBIUYHXSA-N	366.417	4.832	50	20	FJGD	
O=C(NNc1ccccc1)[C@H](Sc1ccc(F)cc1)c1ccccc1	732266020	BGIFRICJLNHFPP-LJQANCHMSA-N	352.434	4.802	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(Br)ccc2Cl)c(C)c1	743763096	WRMIPUCLVAWJHS-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cccc(F)c2)c(C)c1	748089507	JGNDXHGWKPLXDQ-UHFFFAOYSA-N	367.449	4.746	50	20	FJGD	
CC1CCN(c2cccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)c2)CC1	752424015	ADCXLXTWJOJZRC-AQTBWJFISA-N	363.436	4.608	50	20	FJGD	
COc1cc(/C(C#N)=C/c2csc(-c3cccs3)n2)ccc1[N+](=O)[O-]	766778314	JKSVJLGZTJWGLN-KPKJPENVSA-N	369.427	4.853	50	20	FJGD	
C[C@H](Br)c1nc2cc(-c3cccc(Cl)c3)sc2c(=O)[nH]1	767360312	RFEYONIVUARRNR-ZETCQYMHSA-N	369.671	4.761	50	20	FJGD	
COc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(OC(C)C)c1	791735073	YXAQJEIURZFZTA-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	794874963	LLPHYNSTOPGFMJ-RAXLEYEMSA-N	353.834	4.686	50	20	FJGD	
O=C(NN=C/C=C/c1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl	794881794	XNALTXKWQKWUHW-YFDYAFJSSA-N	355.171	4.701	50	20	FJGD	
N#C/C(=C\c1ccc(SCc2ccccc2)cc1)C(=O)[C@H]1CCCOC1	794884515	PVWOVZADFXIHJF-XAJRUKRBSA-N	363.482	4.882	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3csc(C)n3)cc2)ccc1Cl	799730764	FGLWPQTXOJLBQD-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CCOc1ccc(NNC(=O)c2oc3ccccc3c2COC(C)C)cc1	817879249	DCKVJGHKGAPULU-UHFFFAOYSA-N	368.433	4.513	50	20	FJGD	
CCC(CC)n1nc(C(=O)NNc2cccc(Cl)c2Cl)cc1C	838344339	CEHGNMWTXITOQC-UHFFFAOYSA-N	355.269	4.616	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2cccc(Cl)c2Cl)c1C1CC1	838348733	MSFZVFPJQOGTQF-SNVBAGLBSA-N	367.280	4.795	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCCc1noc2ccccc12	847768851	PWDPTSLBDVHTJF-CYBMUJFWSA-N	351.493	4.628	50	20	FJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccc(Cl)cc3)sc21	865978261	PUZMTCHPSYOCFQ-UHFFFAOYSA-N	355.850	4.803	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)cc1	915844841	SURGYADJXFJIPU-DEDYPNTBSA-N	373.456	4.854	50	20	FJGD	
O=C(CSCc1ccc(Cl)cc1Cl)NNc1ccc(F)cc1	919881501	XHUGWLSVUZXAQH-UHFFFAOYSA-N	359.253	4.509	50	20	FJGD	
C[C@H](CC[S@@](C)=O)NCc1cccc(S(F)(F)(F)(F)F)c1	921831182	VDCTVJKNSQFKAF-CFMSYZGJSA-N	351.406	4.591	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1nc(O)c2c3c(sc2n1)CCCC3	1318719066	QVBPTMREYOJGBE-LFIBNONCSA-N	373.481	4.829	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(Cl)n1	1338400977	ZRYLICPUNCPMPH-MFOYZWKCSA-N	370.884	4.663	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OC(F)F	7158541	YSTASUHKRLNSIS-XNTDXEJSSA-N	372.371	4.541	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1	112924325	UEEXGUSZRZYFHT-UHFFFAOYSA-N	373.456	4.562	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3s2)o1	120367880	NBJDNDGFSSSUST-UHFFFAOYSA-N	369.833	4.967	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1	120973270	SDNLQTINHQADBM-UHFFFAOYSA-N	369.465	4.555	50	20	FJGD	
CN(c1ccccn1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	125958464	NRUMPJAOQYXGQR-UHFFFAOYSA-N	374.356	4.564	50	20	FJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2ccccc2F)cs1	153178590	VWMCJVAUQKICOE-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3ccc(C(F)(F)F)cc3)c2c1	153678738	JIHXUXMZKQLHMQ-UHFFFAOYSA-N	364.323	4.526	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCO[C@H]1c1ccccc1	190248258	ZRUHSAZZAWKFIZ-LNLFQRSKSA-N	365.564	4.595	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cs2)c(C)c1	212133064	JNLTXDYAGKHZBO-SDQBBNPISA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1ccc(Cl)s1	588534623	WDYFZIWDNAECFU-AUWJEWJLSA-N	371.824	4.575	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccco1	732577631	PKOOMOGFDBTUED-XFXZXTDPSA-N	372.211	4.870	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2cnn(Cc3ccccc3Cl)c2)sc1C	741474059	MZARTPKLHCICFT-FRKPEAEDSA-N	354.866	4.722	50	20	FJGD	
O=C(NN=Cc1cc[nH]c1)c1ccc(COc2ccc3ccccc3c2)cc1	745192766	QZENLYUBGJGOAW-UHFFFAOYSA-N	369.424	4.511	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NNc1cccc2c1CCCC2	748586132	XCCJETTUTBWSRQ-HNNXBMFYSA-N	350.553	4.723	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1cc(Cl)ccc1OC1CCCC1	749539072	VFYGICIXZJVKGG-UHFFFAOYSA-N	366.795	4.697	50	20	FJGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1ccc(Cl)c(F)c1	749541066	ZWFXFGJFALSHLK-UHFFFAOYSA-N	357.212	4.678	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc(C)c1O	765613252	OPYHZQXSNXGNCZ-QPEQYQDCSA-N	373.206	4.744	50	20	FJGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)c1c(Cl)cccc1Cl	766020374	DEDRTCBRBNDSNU-UHFFFAOYSA-N	353.171	4.832	50	20	FJGD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	770879092	AQUYBFKTSMQILV-XCRHUMRWSA-N	371.543	4.732	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1Cc2ccccc2C(F)(F)C1	771284666	CTNSJSFBSWKMIC-CQSZACIVSA-N	357.491	4.835	50	20	FJGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	775767340	ZRWMGTJSWJHBEO-GFCCVEGCSA-N	369.391	4.658	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CC(C)(C)CCc2ccccc21	799404856	ITVOWOMKWSHVLJ-SFHVURJKSA-N	373.928	4.572	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C	799756791	LIAOUBORLZENNO-UHFFFAOYSA-N	373.478	4.723	50	20	FJGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)c1c(Cl)cccc1Cl	799879312	XUWBJUSMIUYLCB-LBPRGKRZSA-N	362.260	4.832	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCCCCl)cc1	811686287	SLVPJFJMSVPRDU-LGMDPLHJSA-N	354.837	4.548	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c(C)n1C1CCCCC1	812245534	TZFPRUCVTHSENT-BOPFTXTBSA-N	350.422	4.978	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1	817925298	AMAJEKPAIJRCNM-GJZGRUSLSA-N	365.260	4.639	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(OCc3cccs3)c2)c1	915065678	MXJIZLBZMYYBHK-UHFFFAOYSA-N	352.459	4.701	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)nc1	1116903006	BJWCEQLTRUACNN-XMHGGMMESA-N	353.425	4.948	50	20	FJGD	
CC[C@H](C)[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776687962	LOZPNKHDUSRYLF-WMLDXEAASA-N	351.563	4.660	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OCC)c2)cc1	6854040	NFBXPILSTLFVCM-AQTBWJFISA-N	364.445	4.679	50	20	FJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccc(Cl)c(F)c2)s1	175416830	LXCQZDJWSTUNJX-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COCCc1noc(CNc2cccc(S(F)(F)(F)(F)F)c2)n1	186149886	IBYMBFIZFGMSGG-UHFFFAOYSA-N	359.320	4.528	50	20	FJGD	
CCCn1c(C)cc(/C=C(C#N)/C(O)=N/c2ccc([N+](=O)[O-])cc2F)c1C	208071716	GFSMFRWDOPNREW-OQLLNIDSSA-N	370.384	4.757	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1F	255914074	MRPZUDXXMBGLIY-YHYXMXQVSA-N	365.147	4.831	50	20	FJGD	
CCCC(=NNC(=O)c1sc2nc(C)cc(C)c2c1N)C1CCCCC1	727776946	IRSKBJSUISQYDI-UHFFFAOYSA-N	372.538	4.962	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1Cl)C(=O)Nc1ccccc1	742346087	GERZDICUEOOFDX-WQLSENKSSA-N	361.626	4.648	50	20	FJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)c3ccoc3C)c2C)c1	744859716	XJFHXYGPWIIXQK-JAIQZWGSSA-N	372.424	4.988	50	20	FJGD	
C=CCCC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CC1	747745255	ZTDSEPNAHYGMIE-UHFFFAOYSA-N	370.456	4.759	50	20	FJGD	
N#CCC[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccccc1	749221055	LJPNXFUFESPCGE-OAHLLOKOSA-N	363.248	4.665	50	20	FJGD	
COC(=O)c1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c[nH]1	753133887	SBGXGJHCGVXBFA-AWNIVKPZSA-N	369.833	4.642	50	20	FJGD	
O=C(NN=C/C=C/c1ccc(F)cc1F)c1ccc(Cl)cc1Cl	758096691	NSQOISZPKYCXKY-YFDYAFJSSA-N	355.171	4.701	50	20	FJGD	
O=C(NCCCN1CCCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762971289	QYBZDJKXTWCYSY-UHFFFAOYSA-N	373.391	4.951	50	20	FJGD	
COC1(CNc2ccccc2S[C@H](Cl)C(F)(F)F)CCOCC1	763008611	VTDMYWZFLGATBP-ZDUSSCGKSA-N	369.836	4.513	50	20	FJGD	
COc1cc(NNC(=O)c2ccccc2Oc2ccccc2)ccc1Cl	790166281	WEWILNJUOBVZAS-UHFFFAOYSA-N	368.820	4.898	50	20	FJGD	
Cc1cccnc1NNC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1	791216428	UCKRFXFDDMXMRF-LUAWRHEFSA-N	369.877	4.928	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1	794884657	KHYGWLZFULAYFV-DEDYPNTBSA-N	367.408	4.707	50	20	FJGD	
CSCCONC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	797645606	RMIWROCWDVXTOV-UHFFFAOYSA-N	352.350	4.760	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3c(C)cccc3C(C)C)c(C)c2c1	812768026	BCRGDIXVWSRATO-UHFFFAOYSA-N	352.434	4.939	50	20	FJGD	
CC[C@H]1CN(C)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	836512085	MIJJCHOHPRWMHY-LBPRGKRZSA-N	373.391	4.902	50	20	FJGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccccc2Oc2ccccc2)C1	846460397	CHUNPQQPAJKTQW-SJLPKXTDSA-N	354.450	4.517	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3c(C)cccc3s2)cc1	916650521	UXXHDSRKYONJHI-RVDMUPIBSA-N	363.442	4.549	50	20	FJGD	
CC(C)N(CCP(=O)(c1ccccc1)c1ccccc1)C1CCCC1	108364228	UPRZYUOPKAIMEJ-UHFFFAOYSA-N	355.462	4.654	50	20	FJGD	
Cc1cc(OC(=O)CCSc2nc3ccccc3s2)ccc1[N+](=O)[O-]	728189763	UAKSMRHTTVDPPP-UHFFFAOYSA-N	374.443	4.601	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)c1ccc(Br)s1	730435802	CQVFPJLAMPXTFY-XYOKQWHBSA-N	362.248	4.618	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)c1nc(-c2ccccc2)no1	733206891	RTJHIUIRCCWJQC-JYRVWZFOSA-N	359.282	4.959	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cn(CCC#N)c4ccccc34)[nH]c12	735669242	BNTMQFHSIPZESF-FOWTUZBSSA-N	351.413	4.804	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\C1=Cc2cc(Br)ccc2OC1	741474402	OQRIWOXROXTJLS-PWDRSIHYSA-N	360.251	4.680	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2cc(Cl)ccc2[nH]1	747590738	HDRPDDBWOYQNLG-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
CC(C)CONC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	750285484	MWXBZLPODRCNEA-NSHDSACASA-N	356.797	4.615	50	20	FJGD	
C[C@]1(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC(=O)N1	762817008	AASNKDZFQBZSBL-AWEZNQCLSA-N	372.359	4.731	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(Oc2ccccc2)cn1	799294188	UIORRCVHQYSJGJ-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
C[C@H](Oc1ccccc1NC(=O)NNc1cccc(F)n1)c1ccccc1	806272179	BPSXUNXQDYPHQE-AWEZNQCLSA-N	366.396	4.509	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl	806565835	SMZPRWUHXRYHFD-YCRREMRBSA-N	374.149	4.886	50	20	FJGD	
ClCCCOc1ccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)cc1	811490922	WBRVIJXQEMBXBW-FPOVZHCZSA-N	359.897	4.704	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811627272	WXCARGLUKFGGDW-WUXMJOGZSA-N	350.365	4.929	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(-c2ncco2)cc1	812957890	VXJBNTCDJINQPK-UHFFFAOYSA-N	350.422	4.922	50	20	FJGD	
O=C(NN=C1CCCC[C@@H]1CCCO)c1ccc(-c2ccc(F)cc2)s1	814769800	IKKOQIJGWPCVNA-CQSZACIVSA-N	374.481	4.603	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CCCNCC1	841179707	QXIJHKRKWBQFDI-JTQLQIEISA-N	359.364	4.608	50	20	FJGD	
CC[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	850660322	FRJVQLGMYJNNMY-GFCCVEGCSA-N	372.359	4.587	50	20	FJGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1cc2c(s1)CCCCCC2	916350561	SQKKAOUQSRHCDW-UHFFFAOYSA-N	370.518	4.851	50	20	FJGD	
CC(=O)N1CCC[C@@H](CNCc2cccc(S(F)(F)(F)(F)F)c2)C1	922076100	NRFCZDFXRBTACH-AWEZNQCLSA-N	372.403	4.692	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)c3ccc(F)cc3)c2C)cc1	18918272	WHBCWHSISXAKPB-UDWIEESQSA-N	373.431	4.786	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(NC(=O)C2CC2)cc1	25442354	MXFRBSNHIHKUFB-INIZCTEOSA-N	364.536	4.688	50	20	FJGD	
CSc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1	48312260	VMKVJEQPGZTGSM-RAXLEYEMSA-N	373.275	4.717	50	20	FJGD	
Cc1ccc(-c2nnco2)cc1NC(=O)CCCC[C@@H]1CCSS1	130912846	UVWMWVPGUMHCOO-CQSZACIVSA-N	363.508	4.698	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2SC)c1C	209339948	VUCRNAFSTHEHMW-ATVHPVEESA-N	353.491	4.783	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C2SCCS2)c1	588429097	XDNPSUWYQLSZAZ-GDNBJRDFSA-N	370.474	4.850	50	20	FJGD	
C=C(C)COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c1	727401270	LVORZDUULDBQBW-LDADJPATSA-N	362.429	4.586	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1sc2cc(F)ccc2c1Cl	734552034	IZYYAUKDMITRAE-UHFFFAOYSA-N	374.746	4.868	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1	773166356	XQQOOCZXPPALQH-RIYZIHGNSA-N	365.795	4.968	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2cccc(Cl)c2o1	775275990	USHRZIUCPBUUPG-UHFFFAOYSA-N	356.596	4.545	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1cccc2ccccc12	776634904	GBEGIAOFUXSRGW-QYAIIROKSA-N	368.436	4.816	50	20	FJGD	
C=CCC[C@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1	779102409	XTTBVLVWJUGPMC-AWEZNQCLSA-N	350.249	4.582	50	20	FJGD	
CC1=CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782988402	SIWWMJZTFSEGQV-UHFFFAOYSA-N	363.373	4.685	50	20	FJGD	
CCc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1C1CCCC1	789815642	IJBQJZKDFVXNPD-UHFFFAOYSA-N	367.280	4.624	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ncc(-c2ccc(Br)cc2)[nH]1	794951383	DHWJWWVTQWYMFY-UKTHLTGXSA-N	372.266	4.751	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cn1	797787438	PLDQKONWUVKPFD-CYVLTUHYSA-N	374.488	4.548	50	20	FJGD	
ClCCCOc1ccc(CNCc2ccc(Br)s2)cc1	811472745	JQPRJYHCFYZKST-UHFFFAOYSA-N	374.731	4.808	50	20	FJGD	
ClCCCOc1ccc(CN[C@H]2CCOC3(CCCCC3)C2)cc1	811483334	FTEVKTYMVGCSHD-SFHVURJKSA-N	351.918	4.666	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)Nc1cc(Cl)ccc1Cl	811686196	PYXFGZAWTJQATR-IZZDOVSWSA-N	360.175	4.550	50	20	FJGD	
C[C@H](CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)N(C)C	822618874	OHXOESSUKATSOC-SNVBAGLBSA-N	361.380	4.806	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1cccc(Cl)c1Cl	838343582	VWNJLGRLOHFXSP-UHFFFAOYSA-N	358.294	4.813	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnc2n1[C@H](C)CCC2	844308492	DFLUTRGMOXLCBA-CYBMUJFWSA-N	368.506	4.731	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1	846379213	SYKLKYSNIQYUGY-HNNXBMFYSA-N	371.790	4.637	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccccc2)c(-c2cc3ccccc3o2)n1	920063042	VDRGSKFOHLQNEU-BOPFTXTBSA-N	353.381	4.623	50	20	FJGD	
O=C(CCl)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1	1323270046	UFTAMUYXRKBVSQ-UHFFFAOYSA-N	358.850	4.566	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1	120567783	CJIABRJVNDIPDO-UHFFFAOYSA-N	369.852	4.688	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1SC(F)(F)F	188342460	CWKJQPWQFFXLPF-FMIVXFBMSA-N	364.348	4.550	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1COc1ccccc1	194355894	VUIXVTDMBUPXGH-XMHGGMMESA-N	370.408	4.517	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@@H]2CCSS2)[C@@H]1c1cccnc1	292281829	HRGXQBRJBALHLH-NVXWUHKLSA-N	350.553	4.705	50	20	FJGD	
CC(C)C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	726702616	KDFNPKSMTDCUIT-QGZVFWFLSA-N	363.408	4.702	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	729151661	ZLVJVJCNAUHLMU-GZTJUZNOSA-N	356.425	4.980	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1ccc(Oc2cccnc2)c(C)c1)c1ccccc1	732712008	NMHJOWHSHPLJAD-OAQYLSRUSA-N	373.456	4.826	50	20	FJGD	
CSC[C@H](C)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	736955431	HJYWEVXKMDDPJR-KWQFWETISA-N	372.865	4.779	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)c1C	742909628	LOEYCQARROQJOU-IYTJAOGTSA-N	373.566	4.555	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	746886121	IYHLEHACYKYUJR-UHFFFAOYSA-N	364.470	4.744	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cccnc1SCC1CCCCC1	748090393	NYCCXQPWXUHDGQ-UHFFFAOYSA-N	359.470	4.650	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1Cl)c1cccc(C(F)(F)F)c1	748317657	LBYSBGBOLNIVBG-UHFFFAOYSA-N	356.775	4.780	50	20	FJGD	
Cc1ccc(C=NNC(=O)c2cccc3ccccc23)c(Br)c1	753708830	KOUNRGARIVRTLD-UHFFFAOYSA-N	367.246	4.675	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cn(-c3ccc(F)cc3Cl)nn2)n1	755600402	IPPPYNBUWWTJMV-VZUCSPMQSA-N	373.844	4.704	50	20	FJGD	
CC[C@H](CC(F)(F)F)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	760765257	QBQNFDIUNSOFQH-QLGNDSFESA-N	369.431	4.515	50	20	FJGD	
O=C(NN=Cc1ccc(Sc2ccccn2)o1)c1ccc2ccccc2c1	766450736	QNIMPYGXDRMWSS-UHFFFAOYSA-N	373.437	4.743	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(=Cc2cccc(F)c2)CC1	767033267	PWUVWQKQUNBQDD-INIZCTEOSA-N	368.290	4.641	50	20	FJGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1Cl)c1cn(C)c2ccccc12	773459182	PCMNYDUGFJXHPE-NSHDSACASA-N	362.260	4.732	50	20	FJGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNc1cccc(C(F)(F)F)c1	775760515	LAYNZMHTXMQOLD-LBPRGKRZSA-N	369.391	4.658	50	20	FJGD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)CCCC[C@H]1CCSS1	775823590	WJSGPKVAACCTGD-DEYYWGMASA-N	371.543	4.732	50	20	FJGD	
CC1(C)CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777979894	AZPRGLAGRJVWFQ-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
O=S(=O)(NC1CCCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782974704	YNZXVSFKDDTHGX-UHFFFAOYSA-N	365.389	4.955	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(Cl)s1)O[C@@H](C)C2	783688076	RQDQZVMFNDAVJR-MBGMWABPSA-N	359.834	4.523	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1	787150809	GEUONNJQIIPAPD-NISQSXRWSA-N	372.424	4.740	50	20	FJGD	
CC(/C=C(/C#N)C(=O)c1c[nH]c2ccccc12)=C\c1cccc([N+](=O)[O-])c1	787167115	DJVSBXWVLSMMEG-MTMVPLOESA-N	357.369	4.812	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	789995953	FLSWTQZGHCQJAZ-UHFFFAOYSA-N	370.396	4.595	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1Br)c1nc(-c2ccccc2)no1	794873036	OTJFRBJHFRGTKO-FMIVXFBMSA-N	370.181	4.702	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc(-c2ccccc2)nc1C	799758580	RPGIHSSMTXMVFL-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
ClCCCOc1ccc(CNCc2coc(-c3ccccc3)n2)cc1	811480426	XTOBJXQRUOXOMT-UHFFFAOYSA-N	356.853	4.639	50	20	FJGD	
COC(=O)c1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c[nH]1	816113608	WSQTZNFUKPHJTJ-UHFFFAOYSA-N	370.299	4.711	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)c1ccc(Cl)cc1	917531075	SPOBHBLCFZJDMZ-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	1317705926	OVNZILNBNMOYGY-UHFFFAOYSA-N	374.227	4.600	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	158798366	HPBIMQSZUJIDCH-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-]	194578298	IUCCOPWBKQBFQL-CAOOACKPSA-N	372.409	4.963	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	255007297	VEAONPZJVVIESX-ZROIWOOFSA-N	361.228	4.685	50	20	FJGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)c1cc(F)cc(F)c1	588597306	GFPZQMDFSUJYBD-YCRREMRBSA-N	354.175	4.579	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCCCC#N)c2)c1C	726741981	KZBTWAOYFFVXLF-UYRXBGFRSA-N	359.429	4.532	50	20	FJGD	
CC(CSC(C)(C)C)=NNC(=O)c1sc(-c2ccccc2)nc1C	729636190	GAZBETUVNYQDCD-UHFFFAOYSA-N	361.536	4.756	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)c(Cl)c1OC	730434793	STRFEZQEQHNOFU-RVDMUPIBSA-N	350.805	4.970	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1	748549054	FZEWMNFEZKREJS-LUAWRHEFSA-N	352.331	4.700	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	753887848	OGUQJJXQJBXTHH-QPEQYQDCSA-N	361.228	4.856	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N(CCO)CC1CC1	762975718	LTTWBUWRUPTDRR-UHFFFAOYSA-N	360.348	4.580	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccccc1CCC(F)(F)F	775670703	RSCKRMNHRWAIAW-UHFFFAOYSA-N	374.366	4.878	50	20	FJGD	
CC[C@@H](C(=O)NNc1cc(Cl)ccc1Cl)c1ccc(OC)cc1	775781386	AZBDSIZXSKXWLK-CQSZACIVSA-N	353.249	4.639	50	20	FJGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)c1ccc(Cl)cc1F	785458066	XPYRCTORSBCEJN-UHFFFAOYSA-N	358.722	4.570	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	789994377	RDKLMZCEXSWXQU-UHFFFAOYSA-N	354.397	4.715	50	20	FJGD	
CSSCCNC(=O)c1cccc(F)c1Sc1ccccc1	791154596	HCIXLPLKVYHGIC-UHFFFAOYSA-N	353.509	4.718	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(C(F)F)cc1	794484797	YBDLWAKYVCKZNA-UHFFFAOYSA-N	371.412	4.820	50	20	FJGD	
CSSCCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl	803475124	OFNQDOVSFUHIBF-UHFFFAOYSA-N	361.319	4.730	50	20	FJGD	
CC(C)CCOC1CCN(Cc2ccc(OCCCCl)cc2)CC1	811456590	DMQFERLJHPFYIB-UHFFFAOYSA-N	353.934	4.721	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc(F)c3C#N)n2)cc1	811688134	MZPZABBZXSCRJO-DHDCSXOGSA-N	361.401	4.894	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(Cn2cccn2)c1	812920540	KJALTMAPCGFWHM-UHFFFAOYSA-N	363.465	4.512	50	20	FJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](C#N)C3)cc2C1	814758813	IPYBBLKFOJKRFM-HIFRSBDPSA-N	357.523	4.699	50	20	FJGD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(C(C)C)cc2)c1	837054931	ZFYNBSPARYYZCB-UHFFFAOYSA-N	373.884	4.815	50	20	FJGD	
C[C@@H](CCCc1cccnc1)NC(=O)CCCC[C@H]1CCSS1	837758076	HLFFYZYHTWESAC-RDJZCZTQSA-N	352.569	4.623	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O	846966497	MPTUQXURNWKAJO-BRSBDYLESA-N	371.612	4.633	50	20	FJGD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	860896908	RQKLNYWTFSULHR-JGZJWPJOSA-N	360.348	4.579	50	20	FJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3cccc(Cl)c3)c(C)c2c1	912718214	UBLPXUTXGIZWTB-UHFFFAOYSA-N	370.836	4.673	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(N2CCC2)CC1	912875946	URVHOFQWZZRPKX-UHFFFAOYSA-N	370.387	4.654	50	20	FJGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1	916140243	HLGOELPKQXAVKJ-FOWTUZBSSA-N	359.385	4.629	50	20	FJGD	
C[C@H]1CCCC(=NNC(=O)c2ccccc2OCc2ccc(F)cc2)C1	916295656	ZNJYAKHGWQBTIN-HNNXBMFYSA-N	354.425	4.701	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(OC)cc2)c1C	920171467	XDCFKIPEVXSAQD-VJOZSWGJSA-N	366.461	4.735	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1c2ccccc2nn1C	1320437666	SPAUYVCBFDXAPR-UHFFFAOYSA-N	364.474	4.524	50	20	FJGD	
CCCOc1cccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)c1	77181509	LTTDOWCPCDZOAK-DHDCSXOGSA-N	365.458	4.867	50	20	FJGD	
CC(C)(C)c1cnc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)o1	130014740	KEODPNQIVIERCN-WJDWOHSUSA-N	371.487	4.586	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2cccc(C(F)(F)F)c2)c1	159613114	GSHDEVBFMYSTLM-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1nn(C)c(C)c1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183390961	CAJNRDVENKPQCJ-UHFFFAOYSA-N	355.332	4.947	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(N(C)C(C)C)nc3)c[nH]c2c1	190260496	LMZJDMQETPTSLQ-LICLKQGHSA-N	358.445	4.506	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(-c2ccccc2)n1	255673648	VIECJHLPVZWMAP-ZROIWOOFSA-N	365.795	4.669	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C2CC2)c1	301197696	MYRJBBCPEUFSLN-UHFFFAOYSA-N	371.440	4.518	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ccc(Cl)cn2)c1C	736479504	QNNGVNUDEILAHE-BOPFTXTBSA-N	370.884	4.523	50	20	FJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1cccc(Cl)c1	737787421	KMFHOAKNIWHFKP-NSHDSACASA-N	356.775	4.681	50	20	FJGD	
COc1ccccc1-c1ccc(C=NNC(=O)C(C)(C)c2ccccc2)cc1	741464053	KZLWVVWNEOUULP-UHFFFAOYSA-N	372.468	4.790	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\C1=Cc2cc(Br)ccc2OC1	741474400	OQRIWOXROXTJLS-IYVNWDGISA-N	360.251	4.680	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2nc(C)c(C)s2)o1	741474982	UOYJIOUFCTXQFP-GXDHUFHOSA-N	364.426	4.871	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc2c(s1)-c1ccccc1CC2	748763418	ZFPSBUPGMCFGQD-UHFFFAOYSA-N	371.465	4.819	50	20	FJGD	
Cc1cc(NNC(=O)[C@@H](C)c2ccc(Cl)s2)ccc1Br	750242197	QJYJWLYUBWBYMA-VIFPVBQESA-N	373.703	4.719	50	20	FJGD	
CC(C)(C)OC1CC(CCNC(=O)CCCC[C@@H]2CCSS2)C1	762402561	WTNIONYTLLJXDG-UYSNPLJNSA-N	359.601	4.801	50	20	FJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2cc(F)c(F)c(F)c2)C1	767094122	PHKIUTOTJFICIV-ZFWWWQNUSA-N	372.431	4.703	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccoc3C)cs2)cc1	767918172	ULRLCLJAQGSCQG-ZROIWOOFSA-N	350.399	4.510	50	20	FJGD	
COc1cc(SC)ccc1NC(=O)NNc1cccc(C(F)(F)F)c1	772654891	CEWGIOYRINRXEK-UHFFFAOYSA-N	371.384	4.585	50	20	FJGD	
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773601145	FCLOZTJNSYKUFF-GXSJLCMTSA-N	372.359	4.587	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1sc2cc(F)ccc2c1Cl	777465132	GINKVMOODCRKLX-UHFFFAOYSA-N	371.824	4.999	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc2cccnc12	783712517	HAMMETGEGQEXAP-LFIBNONCSA-N	364.351	4.935	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1	794694282	CCMJJEFLWHWGNW-PPUAEEJLSA-N	365.788	4.513	50	20	FJGD	
N#C/C(=C\c1sccc1Br)C(=O)c1ccc2ncccc2c1	794885447	RUAAAPBYKRNCCU-UKTHLTGXSA-N	369.243	4.849	50	20	FJGD	
COc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1O	812248933	URAVZQDWUMBGFS-WMZJFQQLSA-N	354.715	4.532	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@]1(C)CO	822611688	BCRDEBAMFQSTHN-HZMBPMFUSA-N	374.375	4.826	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(-c3ccc(C)o3)n2)cc1	915370482	CRXLLFJIBBOFTG-SXGWCWSVSA-N	364.426	4.670	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccsc1	915989783	NFNLWPVZIHOQRN-CXUHLZMHSA-N	367.861	4.745	50	20	FJGD	
CCOc1cccc2cc([C@H](C)NC(=O)NNc3ccccc3Cl)oc12	916201603	UPXNVWHSBSHQHH-LBPRGKRZSA-N	373.840	4.872	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2cccs2)s1	1320027229	WELTZZQWHRQJNL-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2Cl)cc1	1776127050	GKRLORAPSPFBTI-YVLHZVERSA-N	353.805	4.781	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2)o1	6814954	HUIWNWNHEZAEND-LGMDPLHJSA-N	358.397	4.809	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3ccccc3C)cs2)cc1	124786171	CSWLTOGZRHJCBB-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1Oc1ccncc1	175433940	DPTWUDHNNWXRQO-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc(Cl)c1OC	194533217	KYOZYLFVASIXLU-VGOFMYFVSA-N	359.784	4.676	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)c1	205666500	ONOIMAVGTNRLKC-YVLHZVERSA-N	363.417	4.881	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1F	729148935	DAMXUOLHFFVQDY-OVCLIPMQSA-N	364.342	4.905	50	20	FJGD	
Cc1[nH]c2c(C(=O)NNc3ccnc4cc(Cl)ccc34)cccc2c1C	729515794	NXFPXWQUMUJYHU-UHFFFAOYSA-N	364.836	4.743	50	20	FJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNc3ccccc3)cc2)cs1	734268498	RBONOVCOGLJGTD-CYBMUJFWSA-N	352.463	4.506	50	20	FJGD	
CCO[C@@H]1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C12CCCC2	742918060	KKIVKTGDFHJDNF-BZUAXINKSA-N	357.585	4.555	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)ncn4C)n2)cc1	761201412	TYEVDENMHQAUPP-SXGWCWSVSA-N	372.453	4.770	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccccc2NCCC2=CCCCC2)c1	765004080	DJMZHBYZZDQIAK-UHFFFAOYSA-N	360.461	4.618	50	20	FJGD	
C[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)c2c(O)cccc21	768663544	HWINEFYSYZLMSQ-ZIAGYGMSSA-N	351.537	4.947	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)c(Cl)c1	773154206	KMKHMBYHYUFBSV-YTHZFBKKSA-N	356.740	4.733	50	20	FJGD	
CC[C@@H](C)n1nc(NC(=O)NNc2c(Cl)cccc2Cl)cc1C	775714830	OKCYPRVMSZFDQQ-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)nn1C1CCCCC1	776490571	WQTQJGTZUOSHKC-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)c(C)c1	777418296	KWQXUMJCKJRSQI-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
CCC[C@H]1C[C@@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	779705225	BYGNSUVRCZGXEP-ONGXEEELSA-N	365.688	4.685	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(C#N)c2)c1C	787107762	RNXCTISTJZYJPY-MFOYZWKCSA-N	366.852	4.586	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(C#N)c1)c1ccc(Cl)cc1Cl	787145048	OIYOUDUUVJVCLG-PWDRSIHYSA-N	370.239	4.649	50	20	FJGD	
COc1cc(NNC(=O)Nc2cccc(-c3nccs3)c2)ccc1Cl	788580796	OQXQEZYIBNNQQX-UHFFFAOYSA-N	374.853	4.621	50	20	FJGD	
CCCCn1ncc(NC(=O)[C@H](Br)C(C)(C)C)c1C(C)C	791642907	QVZFIBKDEHDFFU-AWEZNQCLSA-N	358.324	4.555	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CCC[C@@H](OC)C1	796558947	WLWIDALZHDNVSR-WMLDXEAASA-N	360.523	4.918	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)c(Cl)c1	797091027	ATZCQSGSOYDMSE-SDQBBNPISA-N	371.849	4.740	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(O)c(Br)c2)s1	797398561	IOTKGTNYRDVMJA-WDZFZDKYSA-N	363.280	4.973	50	20	FJGD	
CC(C)OCc1cc(NC(=O)CCCC[C@H]2CCSS2)ccc1O	811592319	BWYFEQNMDXLUEF-INIZCTEOSA-N	369.552	4.970	50	20	FJGD	
COc1ccc(F)c2[nH]c(C(=O)NNc3c(C)cccc3C(C)C)cc12	812769437	HEOXBQAXXZFVHT-UHFFFAOYSA-N	355.413	4.504	50	20	FJGD	
O=C(C[C@@H]1C=CCC1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015482	DTIKIOFANJXTKK-SECBINFHSA-N	352.278	4.524	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cn1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	914531152	VKIAOVNCUFEYHM-MFGFFKQHSA-N	373.890	4.738	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc3ncccc23)c1C	915167437	RRVQPOLDMCBYKE-QGOAFFKASA-N	359.429	4.576	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2OCC)c1C	917745109	PBVCMOKCSQYATG-CPNJWEJPSA-N	365.477	4.768	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/C=C/c3ccccc3[N+](=O)[O-])c[nH]c2c1	920399262	RFRKMOINPMZGPO-ANSBUGDOSA-N	357.369	4.731	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CC[C@@H](C(=O)O)CC2)c1	1776269273	YZWIPXDPCDFGGL-CALCHBBNSA-N	363.574	4.804	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)cc1	1776697772	SBYUTWVLCCAJHI-BVTUPMQUSA-N	366.392	4.583	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2F)CC1	1776779026	LCAFKISAWFUVEN-SFQUDFHCSA-N	357.425	4.997	50	20	FJGD	
CC(=O)Nc1cccc([C@H](C)OC(=O)CCCC[C@H]2CCSS2)c1	67741218	RHHXGDOYNQTHLU-GUYCJALGSA-N	367.536	4.963	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccccc3)c3ccccc3n2)cc1	97637584	OZBIUZARCWFYCU-UHFFFAOYSA-N	369.424	4.667	50	20	FJGD	
O=C(NNc1ccncc1)Nc1ccc(-c2nc3ccccc3s2)cc1	121785085	YGBPEMDFXWELDA-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(F)c2)c(C)c1	162383090	DHKVOWDGFSGGTG-OVCLIPMQSA-N	374.362	4.898	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c(C(C)(C)C)n1	180257416	KSGHLTVDEMLCCH-KPKJPENVSA-N	366.852	4.642	50	20	FJGD	
COc1ccc2[nH]cc(CC(=O)NN(c3ccccc3)c3ccccc3)c2c1	195572909	XEQFJCOSLSXEGQ-UHFFFAOYSA-N	371.440	4.589	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1ccccc1C(F)(F)F	209917058	NSVUNZVIZBXKDM-DHZHZOJOSA-N	352.262	4.529	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	216293106	SDPAEKDXHADGPO-JXAWBTAJSA-N	355.441	4.866	50	20	FJGD	
CCCCOc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	727781914	ZQPDLWIPCGERJG-UHFFFAOYSA-N	365.260	4.936	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3c(C)cccc32)c1C	729442961	ZGPUPKUOUMMNIG-OOIVEFLKSA-N	361.489	4.534	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1cccc2ncccc12	730147254	QLKPARLLCKKKIU-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cnnc4ccccc34)c(F)c2)cc1	733812081	QQFYJNJVRXMMNR-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cccc(C#N)c2)c1C	743776867	IYYAAMUENQJVJW-VYZAVGSRSA-N	374.488	4.561	50	20	FJGD	
COc1cccc2cc(C(=O)NNc3ccc(Cl)cc3Cl)oc12	748018460	WJAOVUIRVHSHDO-UHFFFAOYSA-N	351.189	4.505	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1[nH]c2ccccc2c1Cl	754147533	AHWYCODKFXISRP-UHFFFAOYSA-N	371.721	4.736	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1	773153698	WLABMTLWZVFQGV-OVCLIPMQSA-N	363.310	4.781	50	20	FJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	781041630	KDVDZMIVROFYHT-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccccc3OC(F)(F)F)sc12	809782861	JNZKMTPROFWRAR-UHFFFAOYSA-N	366.364	4.865	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2c(C)cccc2C(C)C)c1	812767615	MKQKLABBNFZGLM-UHFFFAOYSA-N	361.283	4.946	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1nc(-c2cccs2)oc1C	812768282	NGXXIGJESNUDQM-UHFFFAOYSA-N	369.490	4.829	50	20	FJGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1Cc1nnc(-c2ccccc2)o1	844346781	CMWQAHWDSGUEFO-KRWDZBQOSA-N	373.573	4.723	50	20	FJGD	
O=C(CSc1cc(Cl)ccc1Cl)NNc1ccc(F)cc1F	876991624	AIXSNBRUZIYBAV-UHFFFAOYSA-N	363.216	4.507	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnn(C4CCC4)c3)n2)cc1	899344586	UALYBAVUAJSVGR-CXUHLZMHSA-N	362.458	4.804	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1	1117045338	PHEFMZXKFRNYDQ-NSHDSACASA-N	354.759	4.878	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(/C=C\C(=O)O)cc2)cc1	1776807670	KZNBYTRTFMIJKG-NDIUVFBSSA-N	374.440	4.673	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1	54216489	PKSMPDXOSDRMIS-YBEGLDIGSA-N	369.380	4.621	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)s1	121775534	QGPTWFXNJFMESD-CLFYSBASSA-N	353.230	4.609	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(F)cc1Br	128692187	KBJAZEJUTKVOET-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2nc3ccccc3s2)o1	160637408	AXJNXNFPXPYRQG-UHFFFAOYSA-N	367.405	4.761	50	20	FJGD	
Cc1cc(NC(=O)CNc2cccc(S(F)(F)(F)(F)F)c2)no1	186149153	FPXYQGDUEZLAFV-UHFFFAOYSA-N	357.304	4.691	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	213103517	PLGDQVPGHWHESO-KAMYIIQDSA-N	360.335	4.650	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc(OC)c1O	730148698	JVNGGAWQQCEOHK-ZSOIEALJSA-N	366.417	4.942	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)cc1	742006661	OSWOBEFISUJCKO-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1nc(Cl)cc(NNC(=O)c2cc3sc4ccccc4c3s2)n1	748339630	YLDRKBHHMZCQLT-UHFFFAOYSA-N	374.878	4.625	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)c1cccc(Cl)c1	754681129	YSJFXLGJJZVOMX-SDQBBNPISA-N	351.711	4.870	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2csc(Cl)c2Cl)cc1	761477599	MTDOYQQAZRFVIB-SDQBBNPISA-N	358.271	4.702	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccccc1NCc1ccccc1	764271157	KMZHSNCFKKMKOH-UHFFFAOYSA-N	374.469	4.665	50	20	FJGD	
Cc1ccc(-c2cnc(COC(=O)[C@@H](Br)C(C)(C)C)o2)cc1	766752829	SRCCOKSJKCRBFE-OAHLLOKOSA-N	366.255	4.503	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1	771707442	PPXTXYOCCDPJDM-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(-c2cccs2)ns1	779326726	CNHHYUDNOJMWQX-SNVBAGLBSA-N	371.578	4.919	50	20	FJGD	
CCO/C=C(/C#N)C(=O)Nc1nc(-c2cccc3ccccc23)c(C)s1	779349927	ZRNYMCUIUQAKSP-QINSGFPZSA-N	363.442	4.654	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nc4ccccc4cc3C)s2)o1	782045035	FIWBBZKWUQQKJO-UHFFFAOYSA-N	363.442	4.930	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cc(C(=O)O)cs3)n2)cc1	782200382	LSHNGYLXOCZXEI-AWNIVKPZSA-N	352.440	4.942	50	20	FJGD	
C/C(C=NNC(=O)c1cccc2ccccc12)=C\c1cccc([N+](=O)[O-])c1	787158648	XOFNMNUWEGWMAQ-IBWXLLKNSA-N	359.385	4.567	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1)c1ccccc1	787178465	MCHBNCCBMYTUEU-ZPBCLNFZSA-N	373.481	4.985	50	20	FJGD	
CCOc1ccc2cc(C(=O)NNc3cc(Cl)cc(Cl)c3)[nH]c2c1	791734902	SEDJKWAZMWDZDP-UHFFFAOYSA-N	364.232	4.630	50	20	FJGD	
Cc1cc(NNC(=O)c2cc(C(C)C)oc2C)ccc1Br	802827722	LASPPOLERWXVRZ-UHFFFAOYSA-N	351.244	4.539	50	20	FJGD	
COC(=O)[C@H](C)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	839895959	PVYBHIYNPMPFOH-CJNGLKHVSA-N	367.536	4.616	50	20	FJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccccc3Cl)c(C)c2c1	912643337	VQAPDYJDDAFYSB-UHFFFAOYSA-N	370.836	4.673	50	20	FJGD	
N#C/C(=C1/COc2ccc(F)cc21)c1ncc(C(F)(F)F)cc1Cl	918155260	FXOHWIPFWVLWOZ-VAWYXSNFSA-N	354.690	4.720	50	20	FJGD	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=C(C#N)C#N	7155050	MSTRIDPEPCSVKB-UHFFFAOYSA-N	351.624	4.631	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(-c2ccc[nH]2)cs1	28728530	KBJPDUGHNZSGDO-NSHDSACASA-N	353.538	4.791	50	20	FJGD	
Cc1ccc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	31682412	WLAPVRODXGRAQU-PETKRDDUSA-N	352.484	4.998	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)ccc1OC(F)F	48417614	ZPEFWLMUHYFKIL-ZSOIEALJSA-N	369.323	4.833	50	20	FJGD	
Cc1cc(NNC(=O)c2oc3ccccc3c2C)ccc1Br	114889148	IOUSURDHZARMHU-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
C[C@@H](O)[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184422900	MTVHZNRUSCIBIO-ZJUUUORDSA-N	360.348	4.579	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	194536959	NQSJTMJDIXOGBB-MHWRWJLKSA-N	363.367	4.557	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC	195288036	DDOVXSNAEYGXGK-WOJGMQOQSA-N	362.429	4.504	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)n1	212768916	JBCOIDHZJBLNGM-YVLHZVERSA-N	369.453	4.763	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(-c2ccccc2)n1	588424548	GQWZRJABQIPFLG-LCYFTJDESA-N	353.834	4.592	50	20	FJGD	
Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cnn(CCCl)c3)s2)cc1	728697180	DWBWMOYXKCAVHG-VMPITWQZSA-N	371.893	4.758	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](c2cccc(F)c2)C1	729444499	DTXULDQPNZZMKL-NVXWUHKLSA-N	353.528	4.856	50	20	FJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1	740763403	BINWVPOHOUTFOX-UKTHLTGXSA-N	351.768	4.573	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)sc2ccc(F)cc12	746696299	XEOUGSPZKSAZOB-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cc3ccccc3s2)cc1C(F)(F)F	746894201	TXMFLHUEENYTPD-UHFFFAOYSA-N	361.348	4.549	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	748759468	RUSLTVSDFVATEK-SJORKVTESA-N	372.255	4.788	50	20	FJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CSc2ccccc2)C1	750052549	CDZHMPMQLCVPAV-HSGPEQJXSA-N	365.458	4.573	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(Br)cc(C(F)(F)F)c1	759036336	VULBRVXDVWEPDR-WMZJFQQLSA-N	360.173	4.990	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1)c1ccccc1	761387814	YMAJPCNNKLQZLE-NRMKIYEFSA-N	364.392	4.941	50	20	FJGD	
N#C/C(=C/c1csc(COc2ccccc2)n1)C(=O)C1CCCCC1	767714469	PZRVDJFZWGLCDX-WJDWOHSUSA-N	352.459	4.778	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1/C=C\c1ccccc1	768417758	RQPAENOJXGJQQX-YSANFCEKSA-N	350.300	4.500	50	20	FJGD	
CCC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H](O)c1ccccc1	792575092	PTQWWNAPOLKNAI-AOIWGVFYSA-N	367.580	4.719	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccc(Cl)cc3F)s2)cn1	800791808	VZMGIGXJQQELTI-WDZFZDKYSA-N	371.824	4.731	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1	811626954	RHALSYNSYFMZHK-AWNIVKPZSA-N	357.291	4.525	50	20	FJGD	
N#C/C(=C\c1ccc(Br)s1)c1cc(C(F)(F)F)ccn1	812248136	FGAXULOOWSYDIK-VMPITWQZSA-N	359.170	4.989	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)N1C	836498606	SBDMIRMBPBQKRT-PHIMTYICSA-N	373.391	4.900	50	20	FJGD	
N[C@H]1CCC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841178417	DPXJLBZKBLQKRL-ONGXEEELSA-N	359.364	4.735	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2[nH]1	911614168	UJQBPNWOONQTNN-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
CC(=NNC(=O)CNc1ccccc1)c1cc2c(ccc3ccccc32)o1	915918904	QJSUOMZTTSDHHG-UHFFFAOYSA-N	357.413	4.538	50	20	FJGD	
CSc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc1	916349771	VYYFLQLHTHMZDW-UHFFFAOYSA-N	367.499	4.604	50	20	FJGD	
O=C(CCOc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1	918014407	YHUVHGZLSBBUEC-UHFFFAOYSA-N	359.640	4.559	50	20	FJGD	
O=C(NCc1csc2ccccc12)NNc1ccccc1C(F)(F)F	918211757	BXNUXQATHJSAJE-UHFFFAOYSA-N	365.380	4.746	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1	1338887050	JCWHMAPKNVPQDA-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)Cc2cccs2)c1C	60675723	IRPUTOGRKHDKTQ-PDGQHHTCSA-N	355.507	4.532	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1OCC	169956283	XGKYMJQSAHVAFS-LGMDPLHJSA-N	361.445	4.825	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3ccc(C)cc3)cs2)c1	184840715	DTYQZRKIGFMXEK-LICLKQGHSA-N	360.438	4.917	50	20	FJGD	
CCCN(CCC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192979431	ICNNMRYTPFLBQE-UHFFFAOYSA-N	374.375	4.931	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccn2)cc1	209907773	YIMVFZBXBIKYTI-RGEXLXHISA-N	369.424	4.515	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@H](c2ccsc2)O1	246656046	XQEHPFMWQHLCIG-VNQPRFMTSA-N	371.593	4.751	50	20	FJGD	
C[C@H](CCO)CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	296801658	LMAQYMMHIQKOGS-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1	588610504	VJGNKOWRIWKRHR-ZHZULCJRSA-N	366.424	4.562	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc4c(c3)CC(C)(C)O4)c[nH]c2c1	729150941	QTRXBJVXXHNELS-YVLHZVERSA-N	356.425	4.980	50	20	FJGD	
Cc1ccc2oc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2c1	729514877	JWEHBFHGBPTMGV-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1O	735619712	POBSQEOIAFBHPA-QPEQYQDCSA-N	353.809	4.693	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c(SC)cc1OC	741165926	SYUQYMJVAIALJS-RQZCQDPDSA-N	367.470	4.832	50	20	FJGD	
Cc1nc2ccc(C(=O)NNc3cc(Cl)ccc3Cl)cc2s1	762136094	BYPMQOCAKLLAFP-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1NCCc1ccc(Cl)cc1	763531336	LPVRCUWOOXYQIR-UHFFFAOYSA-N	365.864	4.752	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)C(=O)C1CCCCC1	767715162	UKHAVTXWNXZWJZ-ATVHPVEESA-N	351.425	4.685	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc2ccsc12	768690005	ZQNRCSZIHGGOSG-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(O)ccc2Br)c1	769772889	DXOHIKXVWHJSPJ-NVNXTCNLSA-N	356.219	4.561	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2ccc(Cl)cc2)n1	771697289	KMDADSTYAQNTEN-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1C	772178085	YIYADVPPKGKRHS-NVNXTCNLSA-N	370.836	4.520	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-]	774558335	BEBKADRMDWCMME-AQTBWJFISA-N	363.417	4.658	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2sccc2Cl)cc1Cl	779752207	PAFBNMKZOPFREW-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	787167109	DJVSBXWVLSMMEG-IEPNIYFGSA-N	357.369	4.812	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(C)cc1)c1ccccc1	787179305	PRMFVLMGXUWRRG-UBXANZILSA-N	370.456	4.560	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)cc1	792635514	JJUCUGDUUNSYPE-KGENOOAVSA-N	369.486	4.653	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H](CCO)C2)cc1	792867296	OOSFLUCNCXWLBU-SFHVURJKSA-N	363.618	4.803	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)(F)F)cc2)c1C	797054818	NGIHDTPKTTVIRA-GDNBJRDFSA-N	360.335	4.748	50	20	FJGD	
N#Cc1ccc(NNC(=O)CC2CC(c3ccccc3)C2)cc1C(F)(F)F	798983089	VSJVBMQFCMQJHE-UHFFFAOYSA-N	373.378	4.604	50	20	FJGD	
CCSc1cccc(F)c1NC(=O)NNc1ccc(C(F)(F)F)cn1	810329316	URUWGOUKMJLGHF-UHFFFAOYSA-N	374.363	4.500	50	20	FJGD	
C[C@H]1CCc2c(C(=O)NNc3ccnc4cc(Cl)ccc34)csc2C1	812017665	HICAVTDJCXHZOU-NSHDSACASA-N	371.893	4.831	50	20	FJGD	
C[C@@H](CCCO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836497970	BUYJBKBPDCZKNX-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
NC[C@H]1CCCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179252	MNDLPXHFXBUNEK-LLVKDONJSA-N	359.364	4.689	50	20	FJGD	
CC1(C)C[C@]1(C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	850690834	IJAKBUJHKAEEDT-AWEZNQCLSA-N	372.359	4.587	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2F)c1C	857090723	ZJMLVBYYEZVPRY-DEDYPNTBSA-N	367.468	4.610	50	20	FJGD	
CC(=O)N[C@@](C)(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	904286488	NTKRIZUUOWZBSG-CQSZACIVSA-N	374.375	4.833	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2csc(-c3ccsc3)n2)cc1	920064699	JMCRCXBFFUOYOV-PXNMLYILSA-N	372.496	4.518	50	20	FJGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)c2ccccc2C)cc1	920370205	HPWBODITUFBKHZ-WWJHXFJQSA-N	350.462	4.688	50	20	FJGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1	921259219	KLTJFNFWTAQZCZ-GDNBJRDFSA-N	361.470	4.957	50	20	FJGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1ccc(Br)cc1	1115861995	GFDBFOGQZRKVHU-UHFFFAOYSA-N	373.294	4.824	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F	1339432189	BKWCLWGXJIYUHQ-CEXMDJMXSA-N	359.319	4.802	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)c1nc2ccccc2[nH]1	50549216	LVMXDQNMNLPQKF-PTNGSMBKSA-N	357.392	4.569	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(COCc2ccco2)c1	179773695	DWVURTBNOOMVDR-UHFFFAOYSA-N	371.824	4.798	50	20	FJGD	
CCC[C@H](CC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183493064	XKOFZUKDPDIJKX-JTQLQIEISA-N	374.375	4.977	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@]2(CCOC2)C1	192261885	FIDDYJQBJTWPPC-CQSZACIVSA-N	372.359	4.988	50	20	FJGD	
Cc1nc(Cc2nnc(SCCO[Si](C)(C)C(C)(C)C)o2)cs1	298507761	VTVUWNIOKHHQKF-UHFFFAOYSA-N	371.604	4.539	50	20	FJGD	
N#CCCN(C(=O)CCCC[C@H]1CCSS1)c1ccc(F)cc1	732094046	NMYYOHJWJDDKJM-INIZCTEOSA-N	352.500	4.786	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccncc2)c(C)n1CCC(C)C	735967608	HAHOKINLIGQBNG-LZAZYHHXSA-N	365.477	4.757	50	20	FJGD	
Cc1cc(C)c(NNC(=O)CCc2ccc(OC(F)(F)F)cc2)c(C)c1	743761853	CXFZNIJUVROUNY-UHFFFAOYSA-N	366.383	4.586	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](C1CCCC1)C(F)(F)F	752765907	UVXXEPQHPCDSGR-OCCSQVGLSA-N	355.491	4.938	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2c(F)cccc2s1	761588090	CZAMHCKWQZYLTO-UHFFFAOYSA-N	370.327	4.696	50	20	FJGD	
CCc1cnccc1[C@H](C)NC(=O)NN(Cc1ccccc1)c1ccccc1	774335481	WODZBZQKISHVKA-SFHVURJKSA-N	374.488	4.626	50	20	FJGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)c1ccc(OC(F)F)cc1	776258935	BBRMAGUUJKKEAC-XYOKQWHBSA-N	351.711	4.870	50	20	FJGD	
CCOc1cc(Cl)ccc1C(=O)NNc1ccccc1C(F)(F)F	778564966	KLCSXJBVNILCJT-UHFFFAOYSA-N	358.747	4.514	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C\c1nc2ccccc2s1	794955095	PZPDIDKXURVXJO-QXMHVHEDSA-N	351.475	4.885	50	20	FJGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1Cl	797407243	QDYUFPOSUQEORL-YVMONPNESA-N	374.819	4.910	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(-c4cnn(C)c4)s3)c[nH]c2c1	800791385	NORQLXXOLBZJKQ-ZSOIEALJSA-N	372.453	4.728	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)s1	802829770	WSAFRKPHADNMMD-UHFFFAOYSA-N	355.168	4.831	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@@H]1O	806422204	OKVCZIJVDJNHHF-CABZTGNLSA-N	360.348	4.579	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)cc1C	809145904	JFLCLMYJALVDLM-DEDYPNTBSA-N	355.441	4.896	50	20	FJGD	
CSc1ccc([N+](=O)[O-])c(C(=O)NNc2c(C)cccc2C(C)C)c1	812765346	FHMKUDUDPQYNLD-UHFFFAOYSA-N	359.451	4.505	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Cl)c(F)cc1Cl	814888787	PKYTZMCFQGHBKW-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
C=CCC[C@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836498641	SHKPMLTYZXFLKC-LLVKDONJSA-N	360.348	4.793	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnc2n1[C@@H](C)CCC2	844308495	DFLUTRGMOXLCBA-ZDUSSCGKSA-N	368.506	4.731	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC(=C3CCC3)CC2)ccc1OC(C)C	853277386	PJJFYJKWMRCUEF-UHFFFAOYSA-N	356.466	4.623	50	20	FJGD	
CC(C)(C)C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccc(F)cc1	916518185	LBKSQCUVEIKROC-GOSISDBHSA-N	354.429	4.501	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(C(C)C)nn(C)c2Cl)c(C)c1	44022967	ZJVFQONIUKJXBD-OQLLNIDSSA-N	370.884	4.668	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1	124639033	FVXOUCBLLVJLKZ-UHFFFAOYSA-N	352.356	4.508	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1SC[C@@H](C)C#N	184321089	ILCDMCVOIIOXBP-LBPRGKRZSA-N	358.442	4.535	50	20	FJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccco3)n2)cc1C	212103645	NVGQGANADGILCJ-DHDCSXOGSA-N	363.442	4.874	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	215349983	UYUPECMKJGMNIS-SSZFMOIBSA-N	353.853	4.732	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)c1cnc2ccccc2n1	588581020	YXMLSHZSNGELOU-UNOMPAQXSA-N	364.408	4.668	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1c[nH]cc1-c1ccc(Cl)s1	748315281	TVNMCGUXWXJYLU-UHFFFAOYSA-N	352.246	4.807	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cnc(-c3ccccc3Cl)s2)c1	748361993	BTAAGALDQSHEJE-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1	752812617	IBDFKXOBOOIBMY-BDAKNGLRSA-N	355.187	4.805	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)c(Cl)c1F	760637291	ZKQIWVAZRIKXOT-UHFFFAOYSA-N	369.557	4.821	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl)c1ccccc1	761387631	XVXDONWNOSEESI-SPQRHKFCSA-N	367.811	4.525	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)c1ccc(OC(F)F)cc1	761479784	NQIHBOBHLDMXGY-XFFZJAGNSA-N	369.154	4.780	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2Cl)cc1	775596947	LASGZIUJLLEHEM-QXPQOBGOSA-N	354.837	4.523	50	20	FJGD	
CC[C@@H]1CCCC[C@H]1NCCP(=O)(c1ccccc1)c1ccccc1	775678779	UFIYDZGMCQPFJK-DENIHFKCSA-N	355.462	4.559	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)s1	776266412	QRHGKURTOHSAKD-XYOKQWHBSA-N	362.401	4.832	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl	782305986	OMPPHHOQTZSNLW-BJMVGYQFSA-N	364.257	4.873	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccnc1C1CC1	783695015	QMVJYBHNVYSGGE-UHFFFAOYSA-N	356.640	4.676	50	20	FJGD	
COc1cc(NNC(=O)c2sc3cccc(F)c3c2C)ccc1Cl	790179725	CDDFXKYKMILCMK-UHFFFAOYSA-N	364.829	4.768	50	20	FJGD	
Cc1csc([C@@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)C2CC2)n1	790391791	XSEGHWFPGQIDJH-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
CCc1c(C(=O)NNc2c(C)cccc2C(C)C)cnn1C1CCCC1	812766381	GAUAOICFGPFNTO-UHFFFAOYSA-N	354.498	4.749	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)cc1	918749578	ZTCACMHPYWESGA-VBKFSLOCSA-N	350.466	4.595	50	20	FJGD	
CCOc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1OC	25403769	VTVWKUMMOQIODD-CQSZACIVSA-N	355.525	4.747	50	20	FJGD	
Cc1cccc(NNC(=O)c2oc3ccc(Br)cc3c2C)c1	72513997	OGZNJOBMVUBCKE-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	182052608	PPNIXTFZQARROH-RVDMUPIBSA-N	372.371	4.541	50	20	FJGD	
CC(=O)NCCCCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183391247	CBFBCDZTUJFXKX-UHFFFAOYSA-N	374.375	4.979	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1C	209647114	ATSZWTFVHAYUOC-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	255773222	OQDPMHVBJOYRMM-YBEGLDIGSA-N	373.387	4.779	50	20	FJGD	
C[C@@H](CCO)CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297109400	HELHAZIYJJSQTH-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(SC(C)(C)C)cc1	733930087	HUNUGFFZWOWNAT-UHFFFAOYSA-N	365.930	4.882	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cc(O)nc2cc(F)ccc12	739465576	GDFPOKIPNKTCKT-UHFFFAOYSA-N	373.387	4.563	50	20	FJGD	
CC(C)C(=NNC(=O)c1ccc(NN=C(C(C)C)C2CC2)cc1)C1CC1	750918441	VLSJMWXBDOFIGL-UHFFFAOYSA-N	354.498	4.672	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1csc(-c2cccs2)n1	752812268	VYJGAGWSCIVZHD-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1ccc(SC(F)F)cc1	755404193	KXKUDKBGMKKXRR-WZUFQYTHSA-N	366.339	4.825	50	20	FJGD	
N#CC1=CCN(C(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1	760003535	KUDDVFZPJRKJQX-UHFFFAOYSA-N	354.862	4.787	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(SC)ccc2C)cc1	775972778	PIRHWLTVLQLBSJ-LFIBNONCSA-N	352.459	4.661	50	20	FJGD	
NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	787271257	QEKNTNFCFXKYKD-ZJUUUORDSA-N	372.359	4.574	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12	787457632	HUIIBLNPPQFHAO-GFCCVEGCSA-N	361.367	4.824	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2ccccc2F)c(OC2CCCC2)c1	790806700	LDJIKOFHYICIIF-UHFFFAOYSA-N	372.440	4.693	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn([C@H](C)CC)c2C)c1C	791569787	UKYBUVSLZZAYQC-AXLWCPOOSA-N	367.497	4.537	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)c(C(F)(F)F)c1	794945275	YXBVNSOPRWEZPL-ZROIWOOFSA-N	368.362	4.779	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1OC	797398834	LNYFDVOOSDCYJZ-RIYZIHGNSA-N	372.490	4.921	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@@H]1CCCSC1	812861340	QNFRZZCXQFOAAJ-NOZJJQNGSA-N	369.861	4.988	50	20	FJGD	
CCC(C)(CC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	821573718	BIWKJZQXXRRRRG-UHFFFAOYSA-N	374.375	4.977	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(C(C)C)nc1C	846797336	HNMMYMXLOKJRMO-UHFFFAOYSA-N	356.495	4.723	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccccc2Cl)cc1OCC	912646626	IBCHFFHDRROGEN-UHFFFAOYSA-N	362.857	4.675	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)C(=O)c1ccsc1	915989811	NYJZARIIZQBXJC-VGOFMYFVSA-N	369.396	4.619	50	20	FJGD	
C[C@H]1CCCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	916284589	MXQKSAUSUZJKEZ-HNNXBMFYSA-N	358.445	4.593	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cnn(-c2ccc(Br)cc2)c1	918713532	KSSHMHUAMSWVRS-ZSOIEALJSA-N	372.266	4.547	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2)c1ccccc1	920241259	PSQHSFXQSLEDET-RZKQZQCBSA-N	360.457	4.575	50	20	FJGD	
CN(N=Cc1c(OC(F)F)ccc2ccccc12)C(=O)OC(C)(C)C	920381697	XAYFEQFEZSDPQR-UHFFFAOYSA-N	350.365	4.642	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)nc2ccccc21	921259319	NRUQHPOCKNWQDH-UVTDQMKNSA-N	357.335	4.579	50	20	FJGD	
Cc1noc(-c2ccc(C(=O)NN(c3ccccc3)c3ccccc3)cc2)n1	1115832122	DXSCEFNJCNNCLO-UHFFFAOYSA-N	370.412	4.528	50	20	FJGD	
COc1ccccc1SCc1nnc([C@H](Br)C(C)(C)C)o1	1325806983	LXQYSOSVOZHKPW-ZDUSSCGKSA-N	371.300	4.853	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC	8202026	MMRUGBMNDMVHNF-FOWTUZBSSA-N	353.393	4.803	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccncc3Cl)sc2C)cc1	154500469	YBKUTSCYMKDOJQ-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2C)c1C	727093865	VZOAAXKCUXJUHP-UYRXBGFRSA-N	365.477	4.768	50	20	FJGD	
CCN1CCc2ccc(NC(=O)CCCC[C@H]3CCSS3)cc21	728035347	HAKIZVCOESXSFU-INIZCTEOSA-N	350.553	4.722	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1sc2ccccc2c1Cl	740099719	ADJILEGLJZNHCI-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@H]1CCSS1)Oc1cccc(Cl)c1	742140617	DVTGLLPTHQNNMQ-CJNGLKHVSA-N	373.971	4.938	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c2ccccc21	769724450	HRWMEILSSMUADU-RAXLEYEMSA-N	353.784	4.639	50	20	FJGD	
CC(C)(C)Cc1nc2cc(NC(=O)NNc3ncccc3Cl)ccc2o1	770030487	GRNFAHHWDIBESE-UHFFFAOYSA-N	373.844	4.613	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773149015	JVYZXIILBKUPCG-KMKOMSMNSA-N	371.236	4.618	50	20	FJGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccccc1Cl	773491127	CTLMCDBUAUOORY-OAHLLOKOSA-N	353.853	4.702	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccccc1OC(F)(F)F	775541459	AELVWJGHBXSNGF-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CCCc1cnc(NC(=O)NN(Cc2ccccc2)c2ccccc2)s1	776486765	DGLXBIREWQOCPN-UHFFFAOYSA-N	366.490	4.839	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(c2ccc(F)cc2F)CCC1	777423273	WKVCNNYEWPZZEI-UHFFFAOYSA-N	370.321	4.549	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	779751061	FOGXPJHWVUVOQJ-JLHYYAGUSA-N	361.228	4.938	50	20	FJGD	
Cn1c(/C(C#N)=C/c2cnn(Cc3ccccc3)c2Cl)nc2ccccc21	789131097	SYLNOEOBDSXXDT-LFIBNONCSA-N	373.847	4.536	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1c[nH]nc1-c1ccccc1F	791176461	NSMNAJYLFAJRST-LBPRGKRZSA-N	365.499	4.868	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Br)cc1)c1ccncn1	800794918	UNVQCLPKUWTMCN-WJDWOHSUSA-N	362.230	4.970	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(COc2ccccc2C(N)=O)cc1	806580857	SLUJLCQFGAZKCC-UHFFFAOYSA-N	371.553	4.886	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2ccccc2)c1C	827238113	GTKNYCQQTNQUBH-PHCAOYFPSA-N	361.489	4.786	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccccc1OCc1ccc(F)cc1	866015202	CTBVZUOSFVUZPH-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2ccccc2)s1	1329101738	RTNCWJOGTJGNRY-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cccc(C#N)c2)c(C)n1-c1ccccc1F	14178982	GZAWJHQRKGJCEI-XDHOZWIPSA-N	369.399	4.895	50	20	FJGD	
COc1ccc(-c2nnc(CCCC[C@H]3CCSS3)o2)cc1OC	28823690	QYPCYCZRDGFYCI-ZDUSSCGKSA-N	366.508	4.620	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)Nc1ccccc1C(F)(F)F	57549055	FRBSIYFTLXSODZ-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
CN(CCOc1ccc(Cl)cc1)C(=O)CCCC[C@@H]1CCSS1	105006653	FGCMHFVWFLYUEF-MRXNPFEDSA-N	373.971	4.891	50	20	FJGD	
Cc1cccc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)c1	105448443	RRHRGUQKOXUXRL-YSYRGXBVSA-N	352.484	4.998	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)c(F)cc1F	123853085	JTWZGHUGRZFODB-UHFFFAOYSA-N	369.557	4.821	50	20	FJGD	
COc1ccccc1-c1cccc(NC(=O)NNc2ncccc2Cl)c1	179853103	RKSMJWFPBGMCHY-UHFFFAOYSA-N	368.824	4.559	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccccc2)c1C	255928030	DGZQBUPEMIIZGM-QIQVEEHJSA-N	366.461	4.524	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC([C@@H]2CCOC2)C1	373407893	VXIOMEXARQRUIR-SNVBAGLBSA-N	372.359	4.844	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cc(-c2ccccc2)nc2ccccc12	748101064	IIJXEAAFCWAZED-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
C#CCOc1ccc(C(=O)Nc2c(CC)cc(SC#N)cc2CC)cc1	748669488	ITLYWOKHZHSEQV-UHFFFAOYSA-N	364.470	4.649	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1cccc(Cl)c1Cl	759069754	BWKNPYZFUDBSDF-QPJJXVBHSA-N	358.637	4.649	50	20	FJGD	
O=C(NCCn1cccc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762969988	XQXHNCFTZSBXIT-UHFFFAOYSA-N	355.332	4.967	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1ccc(O)cc1)CC1CC1	769474971	GEJBBAPONMNDDU-GOSISDBHSA-N	365.564	4.845	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cccc(OCc3ccccc3)c2)ncn1	773148841	HUCCAAHZVVFIOK-ZDLGFXPLSA-N	359.454	4.842	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc2cccc(F)c2c1C	777479103	SOQSZRDGPUKPNT-UHFFFAOYSA-N	365.433	4.962	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)C1CCCC1	781555133	CUTQQAASNDTTMX-KAMYIIQDSA-N	352.415	4.990	50	20	FJGD	
CCC(CC)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1cccs1	787138967	OUZZNJCPYURSBN-KVVHSQDJSA-N	354.475	4.654	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)Nc1ccc(F)c(Cl)c1	789128828	BTNGEKOIJJJHAC-UXBLZVDNSA-N	373.796	4.741	50	20	FJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)c1ccoc1	798229931	JNPBRPNSILSUKG-NTUHNPAUSA-N	372.211	4.870	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)c3cccc(Cl)c3)c2C)no1	810219976	ZGOFGAXGFYNGSK-MFOYZWKCSA-N	365.820	4.834	50	20	FJGD	
ClCCCOc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1	811462583	ZYQXHYAYRBAUBY-NRFANRHFSA-N	359.897	4.658	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1	817911343	OTGVCUDNOCIEIZ-UHFFFAOYSA-N	373.412	4.650	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1C(F)(F)F	916273635	OXNDTLZQYJFUME-UHFFFAOYSA-N	372.799	4.601	50	20	FJGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-c2ccccc2Cl)s1	917552971	VXHUJBBJIHZNDF-UHFFFAOYSA-N	360.788	4.861	50	20	FJGD	
CC(C)(CF)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	1320342788	SEJYIUJMNJZUSK-SNVBAGLBSA-N	358.788	4.776	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1OC	63279028	PGYGFMJVDBFJEJ-YVLHZVERSA-N	373.437	4.763	50	20	FJGD	
Cc1csc([C@@H](NC(=O)NNc2ccc(Cl)cc2Cl)C2CC2)n1	175829912	XTMNGIHCEAWNRN-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
CC1(O)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184410240	JLIDRZKACSXFEG-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(F)(F)c1cccc(Cl)c1	728717179	WELGGHFDTULAKY-UHFFFAOYSA-N	364.701	4.594	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(COC2CCCC2)cc1	752437672	MKUXOPHDWKOREO-AQTBWJFISA-N	364.420	4.831	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(-c3cccnc3)c2)c1C	768468213	VDAINEJSXWXCMX-BKUYFWCQSA-N	353.425	4.911	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2c(C)cccc2F)c(Cl)c1	771688896	RVHPJMCKAPAMOF-UHFFFAOYSA-N	350.821	4.723	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cscc2Cl)cc1Cl	771838694	AGRBKJYALXPWQW-RUDMXATFSA-N	353.230	4.609	50	20	FJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1N[C@@H]1CCN2CCC[C@@H]2C1	777622833	ZDSNBDGCGNKBBJ-LALPHHSUSA-N	364.864	4.945	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	779200723	HRNRAKLKBDZIPU-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1ccc(Br)s1	780005009	QUUHHMPHWSPIEO-RIYZIHGNSA-N	369.243	4.849	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2ccsc2)nc1C	799761889	RUZBIORGIWQFQT-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1	915848683	MCCRFZCHAKNCBD-ZROIWOOFSA-N	356.784	4.590	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)c(F)c2)c1C	917835616	FFKWGDKIRRWHPO-GZTJUZNOSA-N	369.440	4.598	50	20	FJGD	
CCO[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	930764294	FRBREPLNIOMRRE-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nnc2n1CCCCC2	32799246	VKWDFJWXTGLCKY-WYMLVPIESA-N	364.836	4.982	50	20	FJGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c(C)n1[C@@H](C)c1ccccc1	118514464	KPWPSJHKKRFCAH-AWEZNQCLSA-N	369.415	4.749	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1[C@H](C)c1ccccc1	122791553	IZLBEMBMHPXCIM-OAHLLOKOSA-N	351.425	4.610	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1nc(Cl)ccc1Cl	124187243	HTJDGHMUQFKUEY-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
Cc1nc(/C(C#N)=C\C2=Cc3cc(Br)ccc3OC2)sc1C	125390244	MPYNORSXNDFLHZ-NSIKDUERSA-N	373.275	4.905	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cncc(F)c1	153767588	XWDMYZQTDBLMRF-ZDUSSCGKSA-N	364.751	4.692	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc(C2CC2)nc2ccc(F)cc12	178500868	YOCZLROJTORSQT-UHFFFAOYSA-N	372.403	4.556	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H]1CO	190284912	XDBYLPVKXDDLNH-SKDRFNHKSA-N	360.348	4.579	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)C3CCCC3)sc2c1	732631980	JMWQWPSEELIBOY-UHFFFAOYSA-N	364.898	4.629	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]1c1cccc2ccccc12	740128976	YQLHFGQLYPJURQ-JKSUJKDBSA-N	371.362	4.500	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@H]1CCC[C@H](C)C1	748672434	GMVMQRBSAUUWAT-YOEHRIQHSA-N	360.523	4.918	50	20	FJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn(C)c1	753926274	XDDWRWYORUYQAT-VIFPVBQESA-N	370.347	4.960	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1csc(C2CCCCC2)n1	754541662	PLHMYXIQBXKUFN-YBEGLDIGSA-N	368.458	4.547	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C#N)C(C)(C)C)c(C)n1C1CCCCC1	755374197	CKRIQTQXSFPHDP-SQWSFHKJSA-N	366.509	4.572	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	773211690	FYBHGLOWXBUANP-UHFFFAOYSA-N	366.383	4.777	50	20	FJGD	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NNc1c(F)cccc1F	775177900	STQQGPNMZRRUDY-AWEZNQCLSA-N	373.325	4.593	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCC(C)(C)C#N)c1C	782470445	QANBQPBLRFOZTO-UYRXBGFRSA-N	355.482	4.685	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	785332833	FVHHDQRASHLOPZ-LPGQDOADSA-N	373.431	4.620	50	20	FJGD	
COc1cc(NNC(=O)CCc2ccc3ccccc3c2)ccc1Cl	790176254	ONQRHDWVMUXIJN-UHFFFAOYSA-N	354.837	4.578	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(-c2cnn(C)c2)c1	801648267	OZSNXXGNRYLDNX-RQZCQDPDSA-N	361.832	4.839	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	804721413	BNUQGJPXKKPSRJ-XFFZJAGNSA-N	373.359	4.919	50	20	FJGD	
Cc1cccc(NNC(=O)c2cccc3cccc(Br)c23)c1	806398583	NAFOGADJBIYDHY-UHFFFAOYSA-N	355.235	4.668	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CSc2nnc(N)s2)cc1	806583308	QDTNMLNMZAWYML-UHFFFAOYSA-N	367.616	4.934	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](CC)c2ccc(F)cn2)c1C	808947090	DAMIJRWKZKMMBX-OWMRDYPQSA-N	369.440	4.651	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)Nc1ccc(SC(F)F)cc1	811686604	XTHNIVPBOZYGMW-XYOKQWHBSA-N	373.359	4.558	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cc(F)ccc1OC	812239687	AMIMCPXXNPSHMW-GZTJUZNOSA-N	352.409	4.505	50	20	FJGD	
CCc1c(C(=O)NNc2c(C)cccc2C(C)C)cnn1CCC(C)C	812766243	CMMHBUMRQQATHS-UHFFFAOYSA-N	356.514	4.680	50	20	FJGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C2	837531230	DTNVJWSHKOYXLN-XXILOJSOSA-N	355.328	4.898	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c(C)c1	916484282	ZELDACWATSRFSD-AWEZNQCLSA-N	363.408	4.601	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)c1ccsc1	917146867	YVPDDPDQKPEMPI-DHDCSXOGSA-N	367.861	4.994	50	20	FJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c2ccccc21	2670682	PUCJUCRCUGSRAS-NTCAYCPXSA-N	374.831	4.754	50	20	FJGD	
Cn1c(/C(C#N)=C\c2csc(COc3ccccc3)n2)nc2ccccc21	124799021	DCAZICZAKNVMEO-PTNGSMBKSA-N	372.453	4.673	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1cc(-c2ccccc2)nc2ccccc12	128477144	FEHABRQHELMZHT-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccccc1F)c1ccccc1	153017688	GYGYPTNHCGNDRY-OBGWFSINSA-N	362.404	4.518	50	20	FJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNc3ccc4ccccc4n3)c2)n1	162801247	CBIHMKBKLDXABQ-UHFFFAOYSA-N	373.416	4.655	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3cc(F)c(F)c(F)c3)c2c1	176216229	VTVLLUXVKFEZQJ-UHFFFAOYSA-N	371.362	4.595	50	20	FJGD	
Cc1nn(-c2ccccc2)cc1NC(=O)CCCC[C@@H]1CCSS1	181245830	HBYBHFWMXFBOFB-MRXNPFEDSA-N	361.536	4.833	50	20	FJGD	
Cc1c(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cnn1C	186079501	RYHRXKUHIVZEFL-UHFFFAOYSA-N	369.359	4.957	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3ccncc3)cc2)s1	255662490	PBTINMZZYLOMIP-LDADJPATSA-N	360.438	4.820	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1F	727654648	PPCGPASYCOSHFA-UKTHLTGXSA-N	356.351	4.701	50	20	FJGD	
Cc1cc(C=NNC(=O)Cc2cccnc2)c2c(C)ccc(C(C)C)cc1-2	728786232	XGUPVVANIVZWHW-UHFFFAOYSA-N	359.473	4.619	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	728786471	ZILMVFOJHBEELT-WQRHYEAKSA-N	356.429	4.548	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cccc1OCC	732714792	FFDQZPWRMKCULC-SDXDJHTJSA-N	370.493	4.572	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1	743055598	GNEAYISCWPZNKC-FJJYYWMZSA-N	361.869	4.810	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)c(F)c1	748666653	DDDONGDMEIJVJS-UHFFFAOYSA-N	358.438	4.785	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC	749452594	PNCZQCIGHKJHHG-JIHKLPAASA-N	364.445	4.727	50	20	FJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	750899150	FTZBGLLWYQMACC-LCYFTJDESA-N	362.376	4.995	50	20	FJGD	
COc1ncc(COC(=O)CCCC[C@H]2CCSS2)cc1Cl	751635257	KBHHOEQQYFATNE-LBPRGKRZSA-N	361.916	4.501	50	20	FJGD	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	752047651	KTEMNNCUOCIPJI-OTWHNJEPSA-N	374.575	4.999	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)NC1CC=CC1	760007900	KZRLQGJMNVHAJF-LBPRGKRZSA-N	350.793	4.746	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773162509	WBVXQVRKFLIZPY-NVNXTCNLSA-N	373.305	4.953	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccccc1OC(F)(F)F	775544222	CSRNUCXSUWXPMI-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccc4ccccc4n3)sc21	777466826	MXTFZWQWFMVCJJ-UHFFFAOYSA-N	372.453	4.698	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1	785185433	POVPDGUJTBOROO-GZTJUZNOSA-N	373.387	4.904	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@H]1CCOC2(CCCCC2)C1	790428732	KNVMKVJVBPJRJR-AWEZNQCLSA-N	372.296	4.501	50	20	FJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccccc1-c1cccs1	790484295	XVTKDKTZQOLQAR-UHFFFAOYSA-N	372.381	4.611	50	20	FJGD	
CSSCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	790880164	IMWOUZORTQPOOS-AWEZNQCLSA-N	371.531	4.597	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3nccnc3C3CCC3)c(Cl)c12	805466648	DIZBESOIBARGND-UHFFFAOYSA-N	372.881	4.678	50	20	FJGD	
N#C/C(=C\c1cc(Br)cc(Br)c1)c1ccccn1	809147070	JPPMKKQURQXDCR-VZUCSPMQSA-N	364.040	4.671	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)cc(Cl)c1OC	834747941	LRJDQGIADMGCQA-ZROIWOOFSA-N	363.841	4.530	50	20	FJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2cc(C(F)(F)F)ccn2)cc1	857514007	OIRHBFHNJUDRRU-ZDUSSCGKSA-N	365.399	4.861	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc2c(cc1Cl)OCO2	914752581	DCQNZTKQYVCRGI-SNVBAGLBSA-N	359.900	4.721	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccc(Cl)c2Cl)n1	920388438	XMQFISZHYOXIEP-UXBLZVDNSA-N	353.230	4.691	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)s2)o1	1777433581	GPXDTLGWXONLEC-XNTDXEJSSA-N	363.394	4.805	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)c1c[nH]c2ccccc12	23724419	UCCJQNONVLHDID-KPKJPENVSA-N	369.193	4.859	50	20	FJGD	
N#C/C(C(=O)CSc1ccc(Cl)cc1)=C1/Nc2ccccc2S1	103468446	CJTGQMBIXPXMCI-GHRIWEEISA-N	358.875	4.954	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	121752247	BYMULFUBFXZJID-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	127650625	MWBPITUPWUPFQF-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1C(F)(F)F	128729827	AFEVZOZESZEAHZ-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccccc1F	152798494	PGBANNKOVRGXRU-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	194577971	FYRPBVGBFGIVOM-WOJGMQOQSA-N	356.454	4.812	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc2ccccc2o1	254843135	AJNUHPUAUNPRAI-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
COC(=O)Nc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1C	281378603	GENVAUVBAHYKSW-CYBMUJFWSA-N	368.524	4.826	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1	302914932	VFSQHLUCIBLROU-FMIVXFBMSA-N	366.726	4.784	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	588506636	AAHVLXFNJMOAQS-ZHZULCJRSA-N	369.424	4.611	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2sc(-c3cccs3)nc2C)c(C)c1	743763384	HSAABNJFUVKRRG-UHFFFAOYSA-N	357.504	4.862	50	20	FJGD	
CCOc1cccc([C@@H](C)NC(=O)CCCC[C@H]2CCSS2)c1	745123303	JADPBXMRESDPFK-PBHICJAKSA-N	353.553	4.977	50	20	FJGD	
Cc1c(NNC(=O)c2cc3c(Cl)cccc3s2)cccc1[N+](=O)[O-]	748685539	MSCOOBKHBPUOQY-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1ccc(C#N)c(Cl)c1	753522973	GMTGDIFEEVKOIP-UHFFFAOYSA-N	370.884	4.735	50	20	FJGD	
C[C@H]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762665318	JOWQLBGFQZAYKN-VHSXEESVSA-N	372.359	4.539	50	20	FJGD	
COc1ccc(C2(C(=O)NNc3c(Cl)cccc3Cl)CCC2)cc1	763612566	OCLLGIBJVRMTIM-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
COC(=O)c1oc([C@@H](C)OC(=O)CCCC[C@@H]2CCSS2)cc1C	767268522	PCEUWRMUYBDWJI-CHWSQXEVSA-N	372.508	4.693	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)co2)cc1	794964628	GKHNCPFIGQWEKL-UNOMPAQXSA-N	365.392	4.988	50	20	FJGD	
CC1(C)CC[C@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	805109734	JRUMBEAAPUJYFM-LLVKDONJSA-N	365.389	4.811	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccn2Cc2ccccc2C#N)cc1C	809145661	CKQULCDPFGHICN-XKZIYDEJSA-N	365.436	4.815	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1	811485108	AHVGDGBIYAWJHE-UGKGYDQZSA-N	373.924	4.952	50	20	FJGD	
CCOc1ccc2cc(C(=O)NNc3c(C)cccc3C(C)C)[nH]c2c1	812769497	JTIBPXQKXIAOSD-UHFFFAOYSA-N	351.450	4.755	50	20	FJGD	
COc1ccc(NNC(=O)c2csc3ccccc23)c(C(F)(F)F)c1	816701741	IPYGODUUNHYSLJ-UHFFFAOYSA-N	366.364	4.686	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1Cc2ccccc21	817015608	JQEQITBVRJETOF-AWEZNQCLSA-N	374.284	4.507	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	817909106	UVINFFQFUSYQIR-UHFFFAOYSA-N	373.412	4.650	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1OCC(C)C	834747159	DGZGVQVPYBLAOI-GZTJUZNOSA-N	357.450	4.513	50	20	FJGD	
CCO[C@H](C)c1nc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cs1	852524857	PAZJBPXYGSHZAS-ZBFHGGJFSA-N	370.635	4.837	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NNc1ccnc2cc(Cl)ccc12	913188485	UOKWRINCXQWYFL-UHFFFAOYSA-N	361.832	4.727	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	916349034	IUYYHSZQDWNALZ-TWMKSMIVSA-N	365.502	4.660	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c1C	916481740	AIHIRZPWWQOLCH-AHQMPEJBSA-N	369.292	4.549	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC[C@@H](CC(=O)O)C(F)F)c1	1776269171	ZMKCKHHYFAVFII-CQSZACIVSA-N	373.516	4.516	50	20	FJGD	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	7971301	ZTTCFKMIRYOFKB-YBFXNURJSA-N	365.477	4.624	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)C(C)(C)C)c2Cl)cc1	15349650	IOIBSGRFIDWDID-MHWRWJLKSA-N	355.869	4.724	50	20	FJGD	
CCCn1c(C)cc(/C=C(C#N)\C(O)=N\c2cnc(C(C)(C)C)nc2)c1C	64328276	QEPKMPRIEVIFKW-YVLHZVERSA-N	365.481	4.798	50	20	FJGD	
Cn1c(/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)nc2ccccc21	255137637	ZQWMVCKFBDQPRC-UVTDQMKNSA-N	360.417	4.900	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)c1ccc(Cl)s1	588424849	NQBCJJQRFCGOEO-UKTHLTGXSA-N	367.817	4.774	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1OCC	732716273	MTWWYUBWFQZKHJ-JXAWBTAJSA-N	370.493	4.572	50	20	FJGD	
Cc1cccc2cc(/C=C(\C#N)C(=O)N(C)C3CCCCC3)c(Cl)nc12	732804104	FSCLJKLVJYLDHG-SFQUDFHCSA-N	367.880	4.895	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)o2)c1C	733416277	WTGPUPARTPFJPQ-VCHYOVAHSA-N	369.465	4.667	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)cc1	741840439	USYCMGSRUJTELZ-SDNWHVSQSA-N	350.349	4.516	50	20	FJGD	
Cc1ccc(O[C@@H](C)CNC(=O)CCCC[C@@H]2CCSS2)cc1	742717985	KLFDTFULFAYTLP-DOTOQJQBSA-N	353.553	4.593	50	20	FJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2ccc(Cl)cc2Cl)s1	748007760	AARZIRNJZUELDK-ALCCZGGFSA-N	370.305	4.904	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2coc(-c3ccc(C)cc3)n2)cc1	748440642	LNKJJEVXVZRKES-PDGQHHTCSA-N	357.413	4.758	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(F)c4cccnc34)c[nH]c2c1	759119371	YUBACFUTYDIEJD-GDNBJRDFSA-N	355.372	4.954	50	20	FJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccc(OC(F)(F)F)cc1	759656889	BACWGMMMGZJZNI-LUAWRHEFSA-N	370.758	4.785	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)sc2Br)c(C)c1	761573087	SFQSCLITLSUBBH-UHFFFAOYSA-N	353.285	4.501	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccn(C2CCCC2)n1	763894723	HOKMJMFWFBODIY-INIZCTEOSA-N	354.541	4.756	50	20	FJGD	
CC1(C)CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1	767746996	POSZSBOTILBGGU-UHFFFAOYSA-N	372.472	4.983	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)OCC2CCC(C(F)(F)F)CC2)cc1	770328067	YCNWMPCDFCVATK-GDNBJRDFSA-N	367.367	4.514	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	779221385	UWFUAAHVUIFDAD-IQGJIOQQSA-N	354.837	4.523	50	20	FJGD	
CSCc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)c1	782718335	VZNVWPGQTOGVDG-MRXNPFEDSA-N	355.594	4.880	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)c1ccc2ncccc2c1	794883925	FBBZIIYBYPMWIY-LFIBNONCSA-N	368.314	4.923	50	20	FJGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNc1c(C)cccc1C(C)C	794930455	UHZBDPGBLKNKTL-UHFFFAOYSA-N	372.538	4.819	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)c1ccco1	810209522	GTPJXAYXMKTANR-BENRWUELSA-N	350.355	4.706	50	20	FJGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)c1cccc(Br)c1	814857474	LYMSLKBLYUAJKL-CQSZACIVSA-N	357.251	4.503	50	20	FJGD	
COc1cc(NNC(=O)c2cc(Cl)c(F)cc2Cl)ccc1Cl	816524680	OCXMUVRYKFKUDS-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
O=C(NCCC1=CCNCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	841191468	ZPLCNCYBEJNNBU-UHFFFAOYSA-N	371.375	4.775	50	20	FJGD	
N#C/C(=C\c1ccnn1CC1CC1)c1nc2cc(C(F)(F)F)ccc2s1	849242874	CJJFFLFLTIRKQD-KPKJPENVSA-N	374.391	4.986	50	20	FJGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNc2ccc(C(F)(F)F)cn2)c1	857488711	KNJTUPSIJIPARR-CYBMUJFWSA-N	365.399	4.546	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)c(Cl)c2)cc1	918864222	MWPJPPUJQNIBLP-KMHUVPDISA-N	359.784	4.699	50	20	FJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3ccccc3Cl)s2)cc1	1322883515	VCAILBYWCRRFAL-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)c1C	16439318	BSEZNCIIMDKMIR-CPNJWEJPSA-N	370.456	4.652	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-]	23612392	IJXDKDMICGCJHM-MDWZMJQESA-N	354.316	4.712	50	20	FJGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)CCCC[C@H]2CCSS2)c1	45076073	VOWPYOHOHCNMMQ-DYVFJYSZSA-N	366.552	4.536	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnn(C(C)(C)C)c2)cc1	98054931	UBKLHFVEXJEGDF-GZQZNAIASA-N	350.466	4.697	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3nnc4n3CCCCC4)cs2)cc1	124792680	WQRDPDJBZBDSFV-WJDWOHSUSA-N	361.474	4.501	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	730151606	OFZGNIYLJSTCIE-LFIBNONCSA-N	364.401	4.691	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c(Cl)c1OC	730433161	CZEPCNQOCWWGFM-MHWRWJLKSA-N	355.821	4.764	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CC)c2ccc(F)cc2F)cc1	737936065	NAFTYTHONRBXOY-HFZJLKNISA-N	370.399	4.538	50	20	FJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3c(C)cc(C)cc3C)o2)cc1	743762598	CNBOLVIDXZFYMO-UHFFFAOYSA-N	363.461	4.651	50	20	FJGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	757605789	VGMPHYXHCCQZEE-HUUCEWRRSA-N	371.506	4.739	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)c1	759324554	CNENFRPSRQSPBO-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cncs2)c(C)n1C1CCCCC1	761140839	KBLABBZSPROKEP-MFOYZWKCSA-N	369.490	4.717	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)cc1OCc1cccnc1	766489425	DZQYVJGWHZWXEM-VXIUPONVSA-N	364.445	4.581	50	20	FJGD	
N#CCSc1ccccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768008936	JRJGFECUXPDITE-UHFFFAOYSA-N	370.236	4.505	50	20	FJGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NNc1ccccc1	770014011	NCOYVBVXKWRNFP-UHFFFAOYSA-N	372.428	4.594	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(COc2ccccc2)cc1	770197009	DOKYLSUAFGEHBS-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(OC)cc1	776222709	RRQUPBWNEOYLJD-MRXNPFEDSA-N	369.852	4.534	50	20	FJGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)c1ccc(OC(F)F)cc1	776258934	BBRMAGUUJKKEAC-WQLSENKSSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1cccc(C(F)(F)F)c1	780529815	ZYTXKPZJTRHXIY-SDQBBNPISA-N	351.711	4.854	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(C2SCCS2)c1	781070501	MNWDPFIQQQKQHK-GFCCVEGCSA-N	374.369	4.913	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CCCC(C)C)c1C	789956341	DFUFCIFOYPPCAQ-GBJDKNRMSA-N	373.541	4.550	50	20	FJGD	
COc1cc2ccccc2cc1C(=O)NNc1cc(Cl)cc(Cl)c1	791723764	ZEUGXILWZLPKOD-UHFFFAOYSA-N	361.228	4.912	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3cccc(Br)c3)csc2c1	794924860	XPZQDMSYYAHTIQ-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)c1ncc(C(C)(C)C)s1	801647982	LDCJVYOJVLKVOY-GDNBJRDFSA-N	363.490	4.702	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1OC(C)C	810219750	VZLYYJFOSOBBLZ-YBEGLDIGSA-N	355.821	4.926	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1	844334437	CSVVVRACZWSXFF-KRWDZBQOSA-N	373.573	4.723	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCCc1noc2ccccc12	847768852	PWDPTSLBDVHTJF-ZDUSSCGKSA-N	351.493	4.628	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)c1ccc2c(c1)OCO2	915989204	CHRDSAIYPDYIGD-NTEUORMPSA-N	361.328	4.604	50	20	FJGD	
Cc1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cs1	916607444	PLYUJVIGIUQCHO-NVMNQCDNSA-N	371.506	4.566	50	20	FJGD	
O=C(CCl)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1	1116439081	GPOPSDBLTCDIPE-UHFFFAOYSA-N	373.718	4.535	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccccc2CCC(F)(F)F)cc1Cl	1320270564	AFQIXIOPUFUYGA-UHFFFAOYSA-N	356.775	4.900	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	6210195	SZPVNBGOMODACX-FMIVXFBMSA-N	367.861	4.581	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	68773715	FZPCEIGBHYNQDS-UHFFFAOYSA-N	352.356	4.641	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1cc(Cl)ccc1Cl	78560922	NEUPAFABFLGJIL-POHAHGRESA-N	353.155	4.817	50	20	FJGD	
O=C(NNc1ccccc1F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	153101659	PXBXHUNEBPPDTR-UONOGXRCSA-N	367.449	4.629	50	20	FJGD	
O=C(NNc1ccncc1Cl)c1cc(C2CC2)nc2ccc(Cl)cc12	154553003	SCFAUKMSSYJFJF-UHFFFAOYSA-N	373.243	4.571	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(Br)cc1	179073728	LFWCEFYQODBBKS-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
CCCCN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183463943	ZOUUOCXPQORFMD-UHFFFAOYSA-N	360.348	4.541	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(F)c(O)c(F)c3)n2)cc1	255040688	WWILLRYZBPWPKL-AWNIVKPZSA-N	370.380	4.867	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc(Cl)c1O	588424539	AIBAMDPKYIHDGG-YHYXMXQVSA-N	368.241	4.949	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1OCC	727654770	KRKUNCXZSUJWOX-UYRXBGFRSA-N	359.425	4.504	50	20	FJGD	
O=C(NN=Cc1ccccc1Br)c1c(Cl)cccc1Cl	727781199	GVBHHHYFSNDCGX-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)C(=O)NCCCOC(C)C)c1	729644248	UABTZDIJFZRDKK-RCCKNPSSSA-N	362.473	4.500	50	20	FJGD	
Cc1c(C(=O)NNc2nccc3sccc23)sc2cccc(F)c12	734249657	GHUOHMZKVQBOCX-UHFFFAOYSA-N	357.435	4.715	50	20	FJGD	
Cc1cccc2oc(CCNC(=O)CCCC[C@H]3CCSS3)nc12	742970189	FAHPEYDSQIYMEH-AWEZNQCLSA-N	364.536	4.509	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc(Cl)nc2)cc1F	743819207	GKSWEDPDRITKBT-UHFFFAOYSA-N	373.790	4.746	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1SC	746340344	GHWUWBFAGGMUOV-MHWRWJLKSA-N	352.459	4.580	50	20	FJGD	
CCC(=NNC(=O)c1ccc(COc2ccccc2)o1)C1CCCCC1	750934545	FMLPVNDMVJZJSW-UHFFFAOYSA-N	354.450	4.935	50	20	FJGD	
N#C/C(=C\c1sccc1Br)c1nc(-c2ccccc2)no1	764884576	FUCHZYICNSDOQC-DHZHZOJOSA-N	358.220	4.625	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	774559454	RZLFTKGXTZGJNY-GZTJUZNOSA-N	350.374	4.541	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)c1ccc(OC(F)F)cc1	776259221	FSLJFLPJWDSHLW-JYRVWZFOSA-N	360.385	4.802	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]1CCO	779451361	DFLQPVGOCYOSMK-LLVKDONJSA-N	360.348	4.723	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1nc(C(C)C)n2ccccc12)c1ccccc1	787176431	BSAIFWUXIMXRTG-YWXUCKCNSA-N	372.472	4.632	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1cc2ccccc2s1	788361618	AVUQZKNGGHEGRE-ATVHPVEESA-N	355.422	4.877	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)cc2Cl)c1C	798178622	OJZBHAONESWQNT-YBEGLDIGSA-N	354.837	4.743	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC(C(F)F)CC1	799472850	YXNHSGWAASMJGG-UHFFFAOYSA-N	363.433	4.660	50	20	FJGD	
N#C/C(=C\c1ccc(OCCCCl)cc1)c1nc(-c2ccccc2)no1	811688894	SWQGPBKDKGLIGX-GHRIWEEISA-N	365.820	4.808	50	20	FJGD	
CC(=O)Nc1ccc(Cl)c(NC(=O)NNc2c(C)cccc2C(C)C)c1	812926414	OLMYSZPEMGYMPS-UHFFFAOYSA-N	374.872	4.879	50	20	FJGD	
CCCN1CC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	822461254	WPCKJLZHPDNLHH-LBPRGKRZSA-N	373.391	4.950	50	20	FJGD	
C[C@@H](N)[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841180043	WKVPGSDFSIUZLO-GHMZBOCLSA-N	373.391	4.935	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(Cl)c1	915991204	ZSOLJBLAKQTQDF-SDQBBNPISA-N	354.768	4.759	50	20	FJGD	
COc1cc(C(=O)NN=C/C=C(\C)CCC=C(C)C)ccc1OC(C)C	916352602	YSRWMQIOWQVMJG-WLGRSKJBSA-N	358.482	4.891	50	20	FJGD	
O=C(NN=Cc1ccccc1Cl)c1ccc(-c2ccc(F)cc2)s1	917029482	KLLFGXDNLBVJSD-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	917145561	PYKPNNKDKRHAKU-NTEUORMPSA-N	350.805	4.928	50	20	FJGD	
COc1ccc(C[C@@H](C)N(C)C(=O)CCCC[C@@H]2CCSS2)cc1	1251420869	UHPNNTVPBIWIDE-CRAIPNDOSA-N	367.580	4.799	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C/c1scnc1C	186062052	HEYLOAXGMYLWHL-VOTSOKGWSA-N	357.504	4.801	50	20	FJGD	
Cc1ccccc1[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)C(C)C	732705223	UUNGPDXLAWYIHC-KRWDZBQOSA-N	363.408	4.620	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)ns1	746112028	QXCBRASVMHBTGS-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F	748822138	JDEHHUZCBQUOCM-UHFFFAOYSA-N	363.261	4.873	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)COc1ccc(Cl)cc1Cl	774309215	DKOYIHRAASSDSE-UHFFFAOYSA-N	371.186	4.597	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-]	774558461	DNNFCMWCICKGOD-NTUHNPAUSA-N	364.279	4.566	50	20	FJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNc1cccc(Cl)c1	775616862	FTFUHDNLAPPBSK-UHFFFAOYSA-N	374.872	4.782	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)c1ccc(OC(F)F)cc1	776256185	BWTZPTCORYDQNG-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1ccc2ccccc2c1)C1CC1	787164786	ONRHWGZGEUGNIT-FYJGNVAPSA-N	368.436	4.644	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1c(C)cccc1C	787168613	KWJFXSVPYWLFJV-FJYMYNMMSA-N	361.401	4.704	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2c(F)cccc2OC(F)(F)F)c1	789129457	DZYTXVMWHJPRHS-XFXZXTDPSA-N	365.282	4.523	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cccc(F)c2)cc1)C(=O)C1CCOCC1	794958391	KLFMNINLCYFFLP-SFQUDFHCSA-N	351.377	4.521	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3cccc(Cl)c3)s2)cn1	800791776	VSAUUTMVCIJLJD-JYRVWZFOSA-N	353.834	4.592	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc2c(s1)CSCC2	804359860	KPZJYYHMXNXQBT-SNVBAGLBSA-N	360.595	4.585	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cn3ccc(Br)cc3n2)n1	811690814	GEGGXOYSMYMBTI-VZUCSPMQSA-N	373.279	4.741	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)[C@@H]1OCCc2sccc21	816782357	SYIZVKCZHZSEAH-KUHUBIRLSA-N	358.507	4.573	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](Cc1ccccc1)OC	839235866	NALZBWYRSWGSTN-LJQANCHMSA-N	368.502	4.581	50	20	FJGD	
COc1ccc(-c2ccccc2C)cc1/C=C(/C#N)C(=O)[C@H]1CCCOC1	840720344	PQBYTIZYSTZDDE-YNGKYYQNSA-N	361.441	4.573	50	20	FJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1ccccc1	921138738	AUVJPJFSNFUXOX-UHFFFAOYSA-N	359.267	4.578	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)cc1	1776271600	BUQVJIRAAAKTHC-LFIBNONCSA-N	351.377	4.611	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3)c2)cc1	27121982	KNNXZEVLUFZHSR-LPYMAVHISA-N	355.441	4.674	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)c1C	59133390	VJPJEWUZAOZOSE-WQLSENKSSA-N	361.264	4.673	50	20	FJGD	
Cn1c(/C(C#N)=C\c2cc(F)ccc2Br)nc2ccccc21	179499193	JKHUNWPOJZMZNP-WQLSENKSSA-N	356.198	4.539	50	20	FJGD	
C[C@@H](C1CC1)N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186371468	GYMPMIUQIVXBTO-VIFPVBQESA-N	365.389	4.763	50	20	FJGD	
Cc1cccnc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	188027676	HILUWCAKYQITBO-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
COCCOc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	208342919	VYDCUSBKQBBFKC-PDGQHHTCSA-N	362.454	4.899	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1nc(-c2ccccc2)c[nH]1	255499438	OAQGFIQBUMMYMP-LFIBNONCSA-N	352.397	4.656	50	20	FJGD	
Cc1c(C[S@@](C)=O)cccc1NC(=O)CCCC[C@H]1CCSS1	265310145	DYNPUNLHWHZADA-NPMXOYFQSA-N	371.593	4.526	50	20	FJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1ccc(Br)s1	730436533	RCGVPHFTKROGEX-JXMROGBWSA-N	352.640	4.954	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccnc(-c3ccccc3)c2)cc1	732151780	CZVIFVAAJSBCIM-XMHGGMMESA-N	369.424	4.693	50	20	FJGD	
CC(C)(C)CC(=O)NNc1c(Cl)cc(Br)cc1Cl	742005063	IXLBIXALVSERPP-UHFFFAOYSA-N	354.075	4.635	50	20	FJGD	
C/C(=C/C(=O)NNc1c(Cl)cc(Br)cc1Cl)C1CC1	742005208	OMIZAQQVIXKBLA-DAXSKMNVSA-N	364.070	4.555	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1ccc(C(F)(F)F)cc1	747591254	QESHIIRLOWQXPA-CYBMUJFWSA-N	364.458	4.863	50	20	FJGD	
O=C(NNc1ccccc1Br)c1cc2c(s1)CCCCC2	748066017	LTACCWFKIIGXPP-UHFFFAOYSA-N	365.296	4.536	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Cl)c1	748701507	HZVHUEOEVCAJEP-LLVKDONJSA-N	372.774	4.528	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1cccc2cnccc12	748769220	HLVYLFJMPSSDSQ-UHFFFAOYSA-N	367.408	4.820	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)Nc1ccccc1Oc1ccccc1	748994844	TYNDTULYTYRKPV-NTCAYCPXSA-N	371.421	4.958	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cscn2)c(C)n1C1CCCCC1	749214907	KFPJOQYMOCMRIN-RQZCQDPDSA-N	369.490	4.717	50	20	FJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1Oc1cccnc1	751479151	HGTSIPCGGQJWKM-SFQUDFHCSA-N	373.387	4.867	50	20	FJGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	751513258	FWDUWPFNVYXKFU-XYOKQWHBSA-N	369.833	4.642	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@@H]1CCSC1	762271093	ZXSWKKZSGRJGGA-PRHODGIISA-N	355.834	4.598	50	20	FJGD	
C[C@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn(C)c1	762521557	QQQAXLLLDNKOPB-VIFPVBQESA-N	355.332	4.820	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1Br	767878366	MTUCLRMPILKSQV-CXUHLZMHSA-N	369.262	4.920	50	20	FJGD	
COc1ccc([C@@H](NC[C@@H](C)CBr)c2ccc(F)cc2)cc1	770666423	KPNXEOPBTNZTFD-UGSOOPFHSA-N	366.274	4.544	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1OC	772177990	DNJCYIQDOOFGBC-BOPFTXTBSA-N	353.393	4.803	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cc(O)ccc3[N+](=O)[O-])n2)cc1	772797754	PNZFLFZBRBIUGI-NVNXTCNLSA-N	363.398	4.797	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2Oc2cccnc2)cc1	780804026	YPSIDMDAMJBYQA-UHFFFAOYSA-N	361.445	4.928	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(C)(C)C#N)c(C)n1C1CCCCC1	781466504	DKSWGLMNEHWJKO-WOJGMQOQSA-N	353.466	4.610	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(F)cc2F)cc1)c1ccccc1	788512820	KEFWRKKHDVJHNM-AWEZNQCLSA-N	368.383	4.862	50	20	FJGD	
C[C@H](C=NNC(=O)c1cc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1	788969166	ZYTQLIUGJHONLH-LLVKDONJSA-N	366.408	4.775	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21	799404855	ITVOWOMKWSHVLJ-GOSISDBHSA-N	373.928	4.572	50	20	FJGD	
O=C(NNc1cccc(F)n1)Nc1ccccc1SCc1ccccc1	806171688	RTVZDWNKXHLYIK-UHFFFAOYSA-N	368.437	4.662	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C2=CCCC2)cc1	810154607	PPZPWSQVYYCDCN-UHFFFAOYSA-N	357.797	4.572	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)c1cc(C(F)(F)F)ccn1	812246709	SEZCUYYYPQCETR-YRNVUSSQSA-N	358.348	4.683	50	20	FJGD	
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCCC[C@@H]1CCSS1	841465491	GRXLMCHGPOSKGK-SJLPKXTDSA-N	360.548	4.766	50	20	FJGD	
CC(C)COc1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	916559929	QFUSYSXHALNPAQ-UHFFFAOYSA-N	369.852	4.680	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)cc1	7167551	UTBIREYABLURQG-GYZOOYGHSA-N	364.445	4.763	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	8117384	GQKXZLWAEGQEGU-YFVDUCKESA-N	370.836	4.919	50	20	FJGD	
Cc1cnn(CCC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	180335326	ZMOMZKNITVUZIQ-UHFFFAOYSA-N	355.332	4.878	50	20	FJGD	
O=S(=O)(Oc1cccnc1)c1cccc(S(F)(F)(F)(F)F)c1	187719442	WFWWSOJBIGVIRC-UHFFFAOYSA-N	361.313	4.507	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)Nc1ccc(SC(F)F)cc1	212116264	FFUFZXVGKUKGFZ-NTMALXAHSA-N	366.339	4.825	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)CCO2)c1nc(-c2ccc(C#N)cc2)cs1	255096036	QZFQWFHKVUIDLM-VCHYOVAHSA-N	355.422	4.681	50	20	FJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNc3ccccc3[N+](=O)[O-])cc2C1	302683540	CHEWWOJTTLGHNA-ZDUSSCGKSA-N	373.478	4.564	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2cc(Cl)ccc2[nH]1	729516158	REDANDCIBXDYTN-UHFFFAOYSA-N	371.227	4.780	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)o1	733781774	HLZPIFZDWJZAON-MYUVLUJPSA-N	355.463	4.703	50	20	FJGD	
COc1ccccc1C(=O)NN=C(C)c1ccc(-c2ccccc2OC)cc1	741464391	PFESYZNOSVOVAG-UHFFFAOYSA-N	374.440	4.525	50	20	FJGD	
Cc1cncc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)c1	744358697	YWTAZICBPAOFBN-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
CC(C)n1ncc(C(=O)NNc2ccc(Cl)cc2)c1-c1ccccc1	754274007	HKFBAXXYNSORIY-UHFFFAOYSA-N	354.841	4.541	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccccc1OC(F)(F)F	775544605	HOBMMHRJLLUNJL-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1cc(Cl)cc(C(F)(F)F)c1	779377681	RMSBKQLKRJKKTM-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2ccccc2)o1)C(=O)c1ccc2c(c1)OCO2	779704542	RDOVCZGIOVMJSX-XNTDXEJSSA-N	359.337	4.590	50	20	FJGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)c1c(Cl)cccc1Cl	782225793	CIDANJGJCCEYLK-UHFFFAOYSA-N	364.207	4.686	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ncc(C(C)(C)C)s3)n2)cc1	790603885	PHLMPLYCXWBIPZ-ZROIWOOFSA-N	350.447	4.863	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cn1	806568373	VWQQADGBFMPPGG-MDWZMJQESA-N	353.376	4.583	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1SCCCS1	841024260	FTOIFBMFZGJBLH-UHFFFAOYSA-N	352.550	4.519	50	20	FJGD	
C[C@@H](N)[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179731	RLAPYUUDSXKMBW-NXEZZACHSA-N	359.364	4.545	50	20	FJGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846376600	CJBKFMDSPWSDDA-UHFFFAOYSA-N	361.751	4.536	50	20	FJGD	
O=C(/C=C\c1ccc(O)cc1)NNc1c(Cl)cc(Cl)cc1Cl	911603390	ZREIRAWYOICZNO-UTCJRWHESA-N	357.624	4.509	50	20	FJGD	
CC(C)c1ccc(SCC(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1	913613398	VMOAMDKKDAQBDU-HEHNFIMWSA-N	363.486	4.768	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc(C)sc2C)c1C	914732979	QMGBFLNEIMQXPE-MXDDHBLUSA-N	369.534	4.978	50	20	FJGD	
O=C(NN=C[C@@H]1CC=CCC1)c1cccc(NN=C[C@@H]2CC=CCC2)c1	915904445	XOHBIMOQPQKOLM-QZTJIDSGSA-N	350.466	4.513	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3ncccc3c2)c1C	916075718	SCPVJVNQONQWMU-XDHOZWIPSA-N	358.445	4.609	50	20	FJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	23217323	KCPDUSBIYRIBES-LZNAANCOSA-N	363.417	4.503	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2ccccc2[nH]1	33394349	AHBIRSCEARQARK-PTNGSMBKSA-N	355.353	4.585	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnc4ccccn34)n2)cc1	119131944	VYKIQWJYSPOSAB-XNTDXEJSSA-N	358.426	4.531	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1)c1ccccc1	127713714	HVCIXYBAKOHYCA-NIZGNDASSA-N	353.425	4.533	50	20	FJGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)cccc1-c1ccccn1	132589635	KAAFLVADISKBHT-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ccccc2F)n1	152953492	GKVARPOIKSQWFV-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)c1	158856103	SENJAQOCSZAKQU-UHFFFAOYSA-N	369.465	4.716	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(O[C@H](C)C#N)cc1	171114729	HDQBUDBJZSZXJZ-SWEABUAFSA-N	355.397	4.557	50	20	FJGD	
CC[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccc(Cl)s1	734673015	ZAAZALOXBKJUIG-JTQLQIEISA-N	363.792	4.596	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccccc2-n2cncn2)CC1	741468814	HUZALFXNNBPTFI-DEDYPNTBSA-N	362.477	4.740	50	20	FJGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1cccc(Br)c1	741768079	SZQCJNKZLGUIEL-UHFFFAOYSA-N	373.294	4.923	50	20	FJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNc3ccc(Cl)nc3)cc2C1	743815938	LGVAKSGBGGBGLY-LBPRGKRZSA-N	363.914	4.704	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1cc(F)c(F)cc1F	753655323	BSYYHARFCRANTA-UHFFFAOYSA-N	370.330	4.689	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(F)c2)cc1	754681149	ZCMBHIPRTCXQOR-NTEUORMPSA-N	360.335	4.535	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)c1ccc(F)c(Cl)c1	761478411	GFIDBPIFRXSFRQ-BJMVGYQFSA-N	355.583	4.971	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccccc3cc2OC(F)F)c1	762003985	ZHPJKVOXAGMZBE-UHFFFAOYSA-N	356.372	4.815	50	20	FJGD	
Cc1cc(OCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	762520311	ZVRRPVXHDIDANY-UHFFFAOYSA-N	358.288	4.658	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	768267319	BCGOSAKZBZGLMB-NJQKBMNKSA-N	358.182	4.573	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)ncn1	773172810	PADUAMLXYJXEPB-WMZJFQQLSA-N	353.781	4.517	50	20	FJGD	
CC[C@@H](C)Oc1cc(CNC(=O)CCCC[C@@H]2CCSS2)ccn1	777431867	XBCOCJRTJMBMNC-GDBMZVCRSA-N	368.568	4.589	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)Nc1ccccc1Cl	779359303	OFHNQUQZNHPTMT-JXMROGBWSA-N	352.608	4.587	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(Br)s1	780802531	OGCVUDDQDIEKTH-UHFFFAOYSA-N	367.312	4.873	50	20	FJGD	
N#C[C@@]1(F)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	786136972	WUKFTINGCKBEIQ-LBPRGKRZSA-N	359.295	4.813	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2csc3ccccc23)cc1	787151914	UBMNWHLVIQEQLO-DSQDWWTGSA-N	362.454	4.694	50	20	FJGD	
CCOc1ccc(NC(=O)NNc2ccc(Cl)c(OC)c2)cc1Cl	788570082	CMCKYFQTKOVDJF-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
C=C(CBr)CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1	796287566	BOAMZGNNPDJVRE-AWEZNQCLSA-N	364.205	4.577	50	20	FJGD	
C[C@@]1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCNC1	841190247	NQYDYBCIWDOKQL-CQSZACIVSA-N	373.391	4.855	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)c1c[nH]c2cc(F)ccc12	915989786	DHIMJGOZWBVAHV-KPKJPENVSA-N	374.293	4.995	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCO[C@@H](c2ccccc2)C1	152966672	KFOAQRFNDNSTQV-KZNAEPCWSA-N	365.564	4.737	50	20	FJGD	
O=C(NNc1ccncc1Cl)c1ccc(SCc2ccccc2)cc1	154755807	SHOCJDGTUJIFBH-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(F)c3)n2)cc1	179178084	QDLMMFURUGOQSA-ZSOIEALJSA-N	352.390	4.728	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	194993150	KJXWSMLGFXNUPQ-XDHOZWIPSA-N	367.433	4.758	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)cc1	195382828	CEPUMWLNWSMCRO-BAACNHRGSA-N	359.429	4.648	50	20	FJGD	
C[C@H](Sc1cccc(C#N)c1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	255546592	LRCKVACURWOGOY-OGAOFSLMSA-N	363.467	4.561	50	20	FJGD	
Cc1ncsc1/C=C\C(=O)NNc1c(Cl)cc(Cl)cc1Cl	588516509	VDHJNXAAYJTVMO-IHWYPQMZSA-N	362.669	4.568	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(C(C)=O)cc2C)c1C	728242948	ASIPUMVRPMOPCX-NDENLUEZSA-N	364.445	4.539	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1SCCc2sccc21	752810579	JYCWKACAVWECNF-ZDUSSCGKSA-N	359.303	4.529	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn2cccnc12	753626653	WHASGDYCWZPMQX-UHFFFAOYSA-N	364.299	4.639	50	20	FJGD	
CN1CCC[C@@H]1CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762978800	RARKOZHLMNSELQ-LLVKDONJSA-N	359.364	4.560	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccccc1CC(F)(F)F	768191874	PJUAGHZEZDUBPE-NSHDSACASA-N	352.194	4.540	50	20	FJGD	
COc1cc(/C(C#N)=C/C(C)=C\c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	787184078	MUCWYPWIIMJOEV-IJBJEGABSA-N	365.345	4.522	50	20	FJGD	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)/C(C#N)=C\c1ccc(O)cc1	787385395	FAVQYYWMLOPSHA-RHTHQAGFSA-N	360.457	4.689	50	20	FJGD	
CN(C)C(=O)c1ccc(CNc2ccc(S(F)(F)(F)(F)F)cc2)[nH]1	787766464	LNPIDJVHGBYNCT-UHFFFAOYSA-N	369.359	4.986	50	20	FJGD	
O=C(NN=C1CCC12CCCC2)c1cc(-c2ccncc2)nc2ccccc12	788698100	OXKYRPWUYNQUHI-UHFFFAOYSA-N	370.456	4.737	50	20	FJGD	
CSC1(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1	790077962	IJSVSEOYIRCQSC-LDADJPATSA-N	371.550	4.529	50	20	FJGD	
COc1cc(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)ccc1Cl	790181214	YYFCGXRUOOKBEP-ZDUSSCGKSA-N	372.774	4.528	50	20	FJGD	
O=C(COCc1cccnc1)Nc1cccc(S(F)(F)(F)(F)F)c1	805197538	FZQZCCIYLZOPMR-UHFFFAOYSA-N	368.327	4.894	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn(CCF)c1	807250858	OAZBCWCYQJTSCZ-UHFFFAOYSA-N	359.295	4.762	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	817925297	AMAJEKPAIJRCNM-CABCVRRESA-N	365.260	4.639	50	20	FJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1(CO)CC1	822460118	GROFSNWEWULGTJ-VIFPVBQESA-N	360.348	4.627	50	20	FJGD	
COC[C@H](C)Oc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	853008396	PMHJIAAIYXHHAY-KNGSKEOJSA-N	356.491	4.918	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2)c1C	1115812592	WKTRMGJVOIAUQD-MOSHPQCFSA-N	355.441	4.647	50	20	FJGD	
CCOc1ccc2c(c1)CN(C(=O)CCCC[C@@H]1CCSS1)CC2	1337995900	AJHUTUHFLGRIGO-GOSISDBHSA-N	365.564	4.684	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	7211369	VCPPSBLIZSQNKE-FOWTUZBSSA-N	374.352	4.653	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	70716182	MJJVNGWLQHMZGT-UHFFFAOYSA-N	374.469	4.612	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(N(C)C)c1	175624085	GAEQBOPAQGAUDY-UHFFFAOYSA-N	353.491	4.703	50	20	FJGD	
CC(C)N1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184429508	IXRIDZNREYXDHL-UHFFFAOYSA-N	373.391	4.902	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3ccsc3)cs2)c1	193346620	BZYBRDOORSOKRC-VGOFMYFVSA-N	352.440	4.670	50	20	FJGD	
O=C1[C@H]2CCCCN2C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1	277964506	GITCTCDUEKIBHT-LLVKDONJSA-N	356.316	4.665	50	20	FJGD	
COc1cc([C@H](C)NC(=O)NNc2ccccc2)ccc1OCCC(C)C	734269488	LNCVRUAYRYRPBJ-INIZCTEOSA-N	371.481	4.507	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(-c3ccccc3)nn(C)c2Cl)s1	734752542	FTRRGXOFZDFXPH-GXDHUFHOSA-N	367.861	4.900	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C1=Cc2cc(Br)ccc2OC1	741474386	OQRIWOXROXTJLS-AAWHYMEISA-N	360.251	4.680	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=C(CC)C2CCOCC2)cc1	745193796	HLJBMRQCWUECPV-UHFFFAOYSA-N	360.498	4.568	50	20	FJGD	
CN(Cc1cc(Br)cs1)/C(=C\C#N)c1ccc(F)cc1	750791856	PQMFZAYWCWRKKI-UUASQNMZSA-N	351.244	4.646	50	20	FJGD	
C[C@H]1CCc2c(C(=O)NNc3ccc(OC(F)(F)F)cc3)csc2C1	761590767	RTBJUXBVPUYCMM-JTQLQIEISA-N	370.396	4.528	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCCBr)c(Cl)c1	763114988	XASZXGSNBGUNKM-LFTLCWSBSA-N	370.674	4.636	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3sccc3OC)n2)cc1	764418502	TXAOVJRABUKGNA-LCYFTJDESA-N	354.456	4.953	50	20	FJGD	
Cc1cccc([C@H]2CCCN2C(=O)[C@H](Br)C(C)(C)C)c1C	781093377	HMKVDEMJZDZQHU-CVEARBPZSA-N	352.316	4.777	50	20	FJGD	
CCCn1c(C(=O)NNc2ncc(Cl)cc2Cl)cc2ccccc21	787277913	LUGLIOWLWQJIOI-UHFFFAOYSA-N	363.248	4.510	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cscc3Br)n2)cc1	794686082	LCWVKIGDRYKODU-WUXMJOGZSA-N	372.247	4.933	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	794873304	CZIDHFNVWILRLQ-XFFZJAGNSA-N	372.209	4.963	50	20	FJGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)c1cc2c(s1)CCCCC2	799873065	KGXJJGBWIRLYPF-OAHLLOKOSA-N	367.518	4.856	50	20	FJGD	
CC1(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCC1	810404777	YBOWGUWPLKZIHL-UHFFFAOYSA-N	372.359	4.731	50	20	FJGD	
ClCCCOc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1	811483263	FWMSALJSBUXVGI-UHFFFAOYSA-N	355.869	4.551	50	20	FJGD	
CO[C@H](C)c1nc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)cs1	844335566	FJIYJANHIWTIQP-ZBFHGGJFSA-N	370.635	4.837	50	20	FJGD	
CCc1ccc(-c2nc(CC(=O)NNc3cc(C)cc(C)c3)cs2)cc1	917512807	NLIFLGDOHGOTPN-UHFFFAOYSA-N	365.502	4.675	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ncoc2C(C)C)c1C	1337091458	SKXHAVVSXMIYDX-VCHYOVAHSA-N	369.465	4.667	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccnc2)cc1	44014124	KVIMXSHCOQWFDH-DEDYPNTBSA-N	369.424	4.515	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C	126010227	PSQLWJQOKFSRKI-DLBZAZTESA-N	358.507	4.574	50	20	FJGD	
CCOC(=O)C1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	186063124	WVLBJFQXPMHBAW-UHFFFAOYSA-N	359.316	4.626	50	20	FJGD	
CC[C@H](NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccc(F)cc1	738418690	ZDDGQWVKHRFYGO-KRWDZBQOSA-N	369.465	4.643	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cc(Cl)cc2c1OCC2	754546185	ROIYLRCNTWBLIE-HNNXBMFYSA-N	371.955	4.605	50	20	FJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)Nc1ccc(Cl)cc1	759115566	DLPYAWNHNDWLLE-JLHYYAGUSA-N	351.768	4.573	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(F)c2cccnc12	759116361	PGVAIDDBXXHJLV-PTNGSMBKSA-N	355.372	4.954	50	20	FJGD	
O=C(CCc1cncc2ccccc12)NNc1cc(Cl)ccc1Cl	765605877	XAKRKTLOPVAGAO-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
Cc1oc(-c2cccs2)nc1COC(=O)[C@H](Br)C(C)(C)C	766750519	IILHIDOHTMODNT-LBPRGKRZSA-N	372.284	4.564	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-]	774560715	NKANRHMNRPFWJK-MDWZMJQESA-N	364.279	4.566	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1)c1ccccc1	788588887	XZHRNSAIAOEDMO-AWEZNQCLSA-N	367.836	4.632	50	20	FJGD	
Cn1c(/C(C#N)=C/c2c(F)ccc(Br)c2F)nc2ccccc21	799888969	KCJSSFBLWUAZTO-CSKARUKUSA-N	374.188	4.678	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nc2ccccc2cc1Cl	810679702	XSLVBVZVUQAMDB-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
C[C@@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@@H](c2ccsc2)O1	811465762	MVMJGNAIUAKKBR-BEFAXECRSA-N	365.926	4.718	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)cc1	817908463	IYHDEKFTWIGHTI-UHFFFAOYSA-N	364.232	4.630	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2cccs2)c1C	914275903	GFUPREPEAJJZHI-LJLZWOEMSA-N	367.518	4.847	50	20	FJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(Br)s1	916356960	SKZUAIRICYUSEX-KBLMJJCZSA-N	355.301	4.919	50	20	FJGD	
O=C(NCCc1cccs1)NN=Cc1ccc(-c2ccccc2Cl)o1	920831286	BSCUIPLOOMWXLG-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
N#CSc1ccc(NC(=O)CC2(C(=O)O)CCCCCC2)c(Cl)c1	13467638	CYIAJUZPPIGDJF-UHFFFAOYSA-N	366.870	4.667	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	59116854	PPBBLUGYDLBTHF-RVDMUPIBSA-N	370.836	4.683	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1	98067957	UBTYSTKNWGZCOF-WDZFZDKYSA-N	352.262	4.529	50	20	FJGD	
Cc1ccc(CC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	129677110	AEHLPTRHIXIRFK-OAHLLOKOSA-N	374.815	4.791	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC(F)F	180571240	FASSGONGQKSVOP-RIYZIHGNSA-N	360.316	4.577	50	20	FJGD	
NC(=O)c1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	183997963	NKDDWZDLMVHWAA-UHFFFAOYSA-N	366.311	4.695	50	20	FJGD	
CCCN(CC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	273820089	FQGGTKUCGSKCGS-UHFFFAOYSA-N	360.348	4.541	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1	588431224	YNKUEUXIBLFINE-YIRPMMGJSA-N	371.415	4.672	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)c1ccc(F)c(Cl)c1	588559401	KJZHKLFRQKHLQB-WDZFZDKYSA-N	364.159	4.621	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)s2)cc1	734306991	UMFHPLCNQQHIRM-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	748018745	ISQFEDWXISVNGL-RKDXNWHRSA-N	355.187	4.805	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2F)cc1	748060929	HOZOZROJWRIIKJ-LFIBNONCSA-N	368.408	4.557	50	20	FJGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNc1cccc2cnccc12	748759360	OZBLCQHPUPJAQG-HXUWFJFHSA-N	365.502	4.636	50	20	FJGD	
CC(C)(C)O[C@@H](C(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1	754087303	LWMPDJZYEIOQBO-MRXNPFEDSA-N	366.383	4.705	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)c1	754177452	FFJNDAWFRUTCRI-UHFFFAOYSA-N	362.477	4.679	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1SCCc2sccc21	763614216	AONPFIYXJHCPGH-ZDUSSCGKSA-N	359.303	4.529	50	20	FJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	770060880	BZVGNBJHZVIGAN-AWEZNQCLSA-N	371.506	4.739	50	20	FJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cccc2ccsc12	771680224	FKUFZZQZAUSNMU-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cc(Cl)cc(C(F)(F)F)c2)ncn1	773177753	XQDFPWDDYZJNKZ-SGAXSIHGSA-N	355.772	4.935	50	20	FJGD	
O=C(NNc1ccccn1)c1cc(Cl)ccc1Oc1cccc(Cl)c1	777468907	AEAWLKVAWZIYLP-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)C(=O)c1cccc2c1OCCO2	781550379	UXZLUTFSQXJIFG-RAXLEYEMSA-N	373.380	4.562	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)c1ccc(F)c(C(F)(F)F)c1	782352050	PSWBSQJAZCOXSJ-IZZDOVSWSA-N	366.339	4.968	50	20	FJGD	
CC(C)O[C@H](C=NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1	793003051	AEUIZUXJJUGCBI-MRXNPFEDSA-N	365.260	4.875	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccnn2-c2ccc(F)cc2)s1	797399143	OVBSQSIERUZLTH-JLHYYAGUSA-N	352.438	4.830	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1csc(-c2ccccc2)n1	806733879	ZMIZVZMFWAOWQH-UHFFFAOYSA-N	367.459	4.568	50	20	FJGD	
O=C(NN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2)c1cccc2ncccc12	807970225	YAFYAUFYZHCJNO-KDURUIRLSA-N	369.468	4.536	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	812241137	DKDJHKYUMNXMHR-LZYBPNLTSA-N	361.401	4.894	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)c3cc(C(F)(F)F)ccn3)sc2c1	812246746	TWJWXZSTZKQIEC-UXBLZVDNSA-N	361.348	4.783	50	20	FJGD	
CCOc1ccc(NNC(=O)CC(C)(C)Cc2ccc(Cl)cc2)cc1	857512341	LOHIEJGLBIMEDT-UHFFFAOYSA-N	360.885	4.841	50	20	FJGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNc2cc(C(F)(F)F)ccn2)c1	857514023	OTBLCZSDFMFVDG-ZDUSSCGKSA-N	365.399	4.546	50	20	FJGD	
CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	859672905	MYHKXQCVEUBGFM-CYBMUJFWSA-N	373.391	4.806	50	20	FJGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1	59269690	HJOXDKQLIOFGDD-NTEUORMPSA-N	358.800	4.812	50	20	FJGD	
COc1cccc2c1CC[C@@H]2NC(=O)CCCC[C@@H]1CCSS1	153803885	NRIPCFKBLCIVPV-CJNGLKHVSA-N	351.537	4.513	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)c1c[nH]c2ccccc12	209222126	YSKJAGKPFRECJO-LCYFTJDESA-N	356.303	4.856	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3cccc(F)c3)cs2)c1	588597503	SISLMMWUIFLGRO-DHDCSXOGSA-N	364.401	4.748	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cc(Cl)ccc1Cl	726871472	AUFJIEMDLDBCSE-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccccc3Cl)ccc2c1	727869716	JCFWFRXOUMIZLB-ZDUSSCGKSA-N	354.837	4.749	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(C)c(F)c1	731488447	GBEOXAASQLCMJB-VGOFMYFVSA-N	358.800	4.650	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(SCC)c2)cc1	733784895	VCRFKCMGRASKGN-FOWTUZBSSA-N	352.459	4.743	50	20	FJGD	
COc1ccccc1C[C@H](C)N(C)C(=O)CCCC[C@H]1CCSS1	742776314	ATRPTCIKOOGSGM-RDJZCZTQSA-N	367.580	4.799	50	20	FJGD	
CSc1ccc(C)c(C(=O)NNc2ccc(Br)cc2C)c1	748731390	KCKAVWISIUOUDS-UHFFFAOYSA-N	365.296	4.545	50	20	FJGD	
COc1ccccc1-c1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1	749823880	SRRRGEGEXWENKG-UHFFFAOYSA-N	370.408	4.872	50	20	FJGD	
CC1(C)CCCC1=NNC(=O)c1cccc(NN=C2CCCC2(C)C)c1	749857832	IPWKEUHWNYCXHY-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
CN1CCc2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)ccc21	751525974	YOZFBNAHMLMYEL-GXDHUFHOSA-N	372.255	4.531	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cccc(F)n1	753643725	MNLMQYVWZXVARK-ZDUSSCGKSA-N	364.751	4.692	50	20	FJGD	
CCS(=O)(=O)C[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	762785143	DKEFJPSALCNDBC-SECBINFHSA-N	353.378	4.579	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	779221388	UWFUAAHVUIFDAD-VMOJBDSFSA-N	354.837	4.523	50	20	FJGD	
CC(C)c1nn(C)c2sc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc12	780804530	FZMVKFRBYUOORK-UHFFFAOYSA-N	370.522	4.813	50	20	FJGD	
COc1cc(NNC(=O)c2ccc3c(c2)-c2ccccc2C3)ccc1Cl	790180565	MZMSUZYBWCCHAV-UHFFFAOYSA-N	364.832	4.677	50	20	FJGD	
CSSCCNC(=O)c1ccccc1SCc1cccs1	791150117	HIUIFLCZWWJHIS-UHFFFAOYSA-N	355.575	4.781	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(CC(F)(F)F)CC1	791322273	NFXOWFAXUVHYLJ-ZDUSSCGKSA-N	355.491	4.892	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC1CCCC1)C(=O)[C@@H]1CCCOC1	794884068	NQNBFKXJOPDVFM-KWZJRMENSA-N	359.853	4.564	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H]1OCCc2sccc21	795150808	FJODPEKCEITFOP-OGHNNQOOSA-N	371.593	4.581	50	20	FJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)c1ccc([N+](=O)[O-])cn1	812245035	LYODPXPAMOQJCE-CLTKARDFSA-N	370.615	4.531	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)OC1CCCCC1	834750708	FIQZIHPTTVKYDD-OWBHPGMISA-N	366.373	4.638	50	20	FJGD	
CC1(C)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1	841190279	OMXMVZOOJXPFRL-UHFFFAOYSA-N	359.364	4.560	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2F)c1C	912689246	VIXQCJJWRJKJBC-YBEGLDIGSA-N	357.404	4.729	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)ccc2OC)cc1	915852772	LFLGAZXRNPDKFF-PWDRBQJJSA-N	364.445	4.763	50	20	FJGD	
O=C(NN=Cc1c[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1Cl	918711520	PCDFWDWZGPFCRY-UHFFFAOYSA-N	366.635	4.892	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(F)cc1	18918174	OKMCAJPILQLALG-RVDMUPIBSA-N	362.316	4.784	50	20	FJGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	33411174	JUYNLOAYMCCIQB-BAACNHRGSA-N	356.425	4.633	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccc(Cl)cc2Cl)c1C1CC1	89866018	VWIFFGVYNLKJIV-JTQLQIEISA-N	367.280	4.795	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1	126624525	LPFXLSYKQNEFQG-UHFFFAOYSA-N	363.442	4.930	50	20	FJGD	
N#Cc1ccc(CN(C(=O)CCCC[C@H]2CCSS2)C2CC2)cc1	193057404	RRICWJDYWAVNEY-SFHVURJKSA-N	360.548	4.763	50	20	FJGD	
COc1cccc([C@H](C)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	195601765	UJKSAZCYURCSEO-VIFPVBQESA-N	373.667	4.902	50	20	FJGD	
CC(C)[C@H](NC(=O)NNC(=O)C1CCC1)c1ccc(C2CCCCC2)cc1	732443251	WUUASBWTKJZRBE-FQEVSTJZSA-N	371.525	4.562	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2occc2Br)c1C	735304583	LWIJKUUMHLJUEJ-UKTHLTGXSA-N	361.239	4.660	50	20	FJGD	
Cc1ccc2[nH]cc(C=NNC(=O)c3sc(-c4ccccc4)nc3C)c2c1	735612296	LLWNTRLRYQEYFU-UHFFFAOYSA-N	374.469	4.672	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2coc3ccccc23)cc1Cl	746522194	LXBYTYXZWVXPHT-XYOKQWHBSA-N	352.777	4.640	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC	749452596	PNCZQCIGHKJHHG-UWCCDQBKSA-N	364.445	4.727	50	20	FJGD	
CC(C)Oc1cc(O)ccc1NC(=O)CCCC[C@H]1CCSS1	762697611	ZSJPYYDHWYLXJZ-AWEZNQCLSA-N	355.525	4.832	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(C(F)(F)F)cc1	767407694	XUBYLGSSWPHHKB-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1Cc2ccccc2-c2ccccc2C1	776643714	SDLJBVINUBPVPV-MOSHPQCFSA-N	366.420	4.509	50	20	FJGD	
COc1ccc(CCC=NNC(=O)c2c(Cl)cccc2Cl)c(C)c1	777441220	SWZJGJMFHRWSPL-UHFFFAOYSA-N	365.260	4.659	50	20	FJGD	
CC[C@@H]1CCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978694	IBTAJMDRLKMEEK-SNVBAGLBSA-N	365.389	4.907	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccc(F)cc1	789129679	XENHOMGHFBAXAO-YBEGLDIGSA-N	365.795	4.514	50	20	FJGD	
COc1cc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)ccc1Cl	790171966	ZOWMRUHCYBNDGX-UHFFFAOYSA-N	358.825	4.777	50	20	FJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C(F)F)cc1	794482704	RXZHALDYWSETBZ-CQSZACIVSA-N	368.383	4.695	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccc(OC(F)(F)F)cc3)csc2c1	795173967	RFSOEWICHGBHNR-UHFFFAOYSA-N	366.364	4.865	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	811692909	DTGVDODXVQUTLR-WUXMJOGZSA-N	362.257	4.645	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1C	824107327	GJAFPOYNKHOQLJ-RIWZNOJBSA-N	374.488	4.513	50	20	FJGD	
C[C@@H](Cc1cnn(C)c1)NCc1cccc(S(F)(F)(F)(F)F)c1	840893584	NVZSZWCNFPXXNU-NSHDSACASA-N	355.376	4.798	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)c(SC)cc1OC	843264501	JBRDSDKLHYWCOY-MLPAPPSSSA-N	358.488	4.824	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1sccc1Br	915804487	ROOFRWYGWJMHHV-UHFFFAOYSA-N	373.275	4.994	50	20	FJGD	
Cc1ccc(NNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1	916997749	ARXFCGGBRKSQER-LLVKDONJSA-N	355.290	4.926	50	20	FJGD	
CC(CCc1ccc(F)cc1)=NNC(=O)c1ccc(Cl)cc1Cl	917543394	IKGQHBUJNIXTSQ-UHFFFAOYSA-N	353.224	4.871	50	20	FJGD	
CNC(=O)C1CCC(NCc2cccc(S(F)(F)(F)(F)F)c2)CC1	921613886	RVLVVXFHRMBSLV-UHFFFAOYSA-N	372.403	4.738	50	20	FJGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	16388632	XBFLAKVOFZWPOA-RVDMUPIBSA-N	372.346	4.816	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1Cl	125351712	FESFKSPMBXZLTK-ZSOIEALJSA-N	353.834	4.931	50	20	FJGD	
COc1sc(/C=C(/C#N)C(=O)c2sccc2C)cc1Br	160225519	MTLBSCNIFZBMGR-UITAMQMPSA-N	368.277	4.679	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)c(C)c1	211544185	MTHOLCXIIXRVES-NDENLUEZSA-N	373.456	4.909	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)c1ccc(Br)s1	255775943	RBLCLHOEAHEKHH-MDWZMJQESA-N	372.243	4.619	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@H]2CCSS2)[C@@H]1c1ccncc1	293963426	PWDSJMRQBKAFTG-DOTOQJQBSA-N	350.553	4.705	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCCO[C@H](c2ccccc2)C1	729846755	DQYQDDATHUOUMY-ROUUACIJSA-N	365.564	4.691	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2ccccn2)c(C)n1C1CCCCC1	736465762	MSGBFHHJVPLLRX-RGEXLXHISA-N	362.477	4.575	50	20	FJGD	
Cn1cc(C(=O)NN=CC(c2ccccc2)c2ccccc2)c2ccccc21	744782682	YBSBCNASNWUFEX-UHFFFAOYSA-N	367.452	4.726	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1Br	747590936	NNGCEVWVEUVNTB-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1sccc1SC	753184700	LDSILQYXPYPQER-UHFFFAOYSA-N	371.325	4.552	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)Nc1ccc(F)c(Cl)c1	761477609	MTNPDWLVSUAEJN-WEVVVXLNSA-N	370.598	4.727	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-]	770568589	GVFVBLAWGKXPIY-LFIBNONCSA-N	364.401	4.691	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)c1ccc2ccccc2n1	780186212	DSWAZTUYRAOPRP-ODLFYWEKSA-N	354.388	4.683	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1)c1ccccc1	781546467	FAAQHTFWAMLLNV-XDUBLRSXSA-N	358.413	4.786	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)cc(F)c2Br)c1	786428352	YNERMPOXANZUCP-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1sc(Br)c(C(=O)NNc2ccccc2Cl)c1C	799705572	LDAGQNWIBLKGGI-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817914993	FQLQIQOIPLQRCJ-LCYFTJDESA-N	364.392	4.865	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H](CCCO)C1	836498473	PZBJAIMNXLKUJO-LLVKDONJSA-N	374.375	4.970	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1cccc(F)c1Cl	862507238	WQJHTFVAHWKNMG-UHFFFAOYSA-N	350.821	4.551	50	20	FJGD	
N#C/C(=C/c1ccc(C(=O)NC2CC2)cc1)c1nc(-c2ccccc2)cs1	912777637	NDXAMCBRQZNDPQ-PDGQHHTCSA-N	371.465	4.766	50	20	FJGD	
O=C(NN=Cc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2	916310544	WMNSFGKYULNCRV-UHFFFAOYSA-N	351.277	4.660	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2-c2ccccc2)cc1	917518659	IQYOKOAPERITMK-QNGOZBTKSA-N	368.436	4.586	50	20	FJGD	
Cc1ccccc1OCCCN(C)C(=O)CCCC[C@H]1CCSS1	918367783	LTECUTNCGLTXGX-KRWDZBQOSA-N	367.580	4.936	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1C[C@@H]2CC[C@H]1O2	1517591717	GBGVMYVCAHJGOT-MVWJERBFSA-N	358.332	4.785	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	5749672	ZXJCROZOQUIAFC-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/C=C1\N(C)c2ccccc2C1(C)C	20987094	IRLXXRNIYFWVFV-MWVANLNKSA-N	357.457	4.695	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	44027009	OQFWEFFPPNYGTF-IZZDOVSWSA-N	370.815	4.607	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC	50647536	ATSDBQHWLCBHBP-JYRVWZFOSA-N	353.809	4.688	50	20	FJGD	
O=C1CC[C@H]2CN(C(=O)CCCC[C@@H]3CCSS3)c3cccc1c32	183829821	GBEJHDANJZSUFY-UONOGXRCSA-N	361.532	4.807	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC	195289029	XPTBUZCXMICKBC-LICLKQGHSA-N	351.377	4.579	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)s1	303439145	FFUNPKUHJRWEPB-UHFFFAOYSA-N	373.275	4.935	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1	588610515	XMSHGVFJUWYUCK-ATVHPVEESA-N	372.453	4.624	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)c1	731489423	GZOOVOWGYBYSOU-NTUHNPAUSA-N	363.747	4.740	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnc3c(C)cccn23)cc1	741468717	KBRIXFDNTQLVRE-BRFSQIRFSA-N	358.445	4.702	50	20	FJGD	
CC(CCC1CCCCC1)=NNC(=O)c1cc(Br)ccc1O	741773763	KJNNSAWAODCNAY-UHFFFAOYSA-N	367.287	4.621	50	20	FJGD	
COc1cc(C(=O)NNc2c(C)cc(C)cc2C)ccc1OCCC(C)C	743763665	CFWPQMQVXIOLAH-UHFFFAOYSA-N	370.493	4.802	50	20	FJGD	
COc1ccc2cc(/C=C/C(=O)NNc3cccc(Cl)c3)ccc2c1	743805528	AMQDSXBUFUDQLB-UXBLZVDNSA-N	352.821	4.658	50	20	FJGD	
COc1ccc(NNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)cc1	746883937	ZYLWULHOURYRDN-FQEVSTJZSA-N	360.457	4.555	50	20	FJGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)c3cc(Cl)cc(Cl)c3)n12	748998585	RBHATOHZHJNMMK-QPEQYQDCSA-N	356.212	4.739	50	20	FJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(OCC2CCCCC2)CC1	750051150	OKCYKUBCBHALPT-ZVBGSRNCSA-N	369.465	4.521	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	764412098	PLZXMWTXGRWYTR-VQHVLOKHSA-N	353.230	4.609	50	20	FJGD	
CCOc1c(Cl)cc(NC(=O)NNc2ccccc2F)cc1Cl	768085409	BJGDTBJYLQFYFV-UHFFFAOYSA-N	358.200	4.680	50	20	FJGD	
C[C@@H](CBr)COC(=O)c1cc(-c2ccccn2)ccc1Cl	770400858	UECAUSSQCRFYJM-NSHDSACASA-N	368.658	4.590	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(Cl)cc2Br)ncn1	773173657	SVWVDRJJQZMKPB-WMZJFQQLSA-N	366.671	4.679	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1Cl)c1cn(C)c2ccccc12	773456349	TXPCWAGMPYSVOI-NSHDSACASA-N	362.260	4.732	50	20	FJGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1ncc(Cl)cc1Cl	775276010	WJGUSCAMIFWYJI-UHFFFAOYSA-N	374.655	4.588	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2Cl)c(C)c1	783682413	AAOKXHFQBSTLKV-PXNMLYILSA-N	368.820	4.509	50	20	FJGD	
O=C1CC[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)c2ccccc21	785783860	OBGDXMYVYYYAJS-OAQYLSRUSA-N	356.425	4.616	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(C(F)(F)F)c(F)c1	791721769	CSBRRZFQLDMLPA-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1nc2ccccc2cc1C	793780552	RZZPWGDCEGGULB-UHFFFAOYSA-N	372.428	4.572	50	20	FJGD	
C=CC[C@@H](CC)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	798468867	RBDAXNFETQABEG-SNVBAGLBSA-N	365.389	4.977	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1	844337872	VPCLHTNRIGLLSM-GOSISDBHSA-N	366.622	4.573	50	20	FJGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2ccccc2C(F)(F)F)c1	916997944	CSKDZABTKNMCEE-NSHDSACASA-N	372.774	4.578	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csc([N+](=O)[O-])c2)cc1	917146132	YJVPVWZWCPBIOE-PWDRSIHYSA-N	355.419	4.715	50	20	FJGD	
COC1CCN(CCNCc2cccc(S(F)(F)(F)(F)F)c2)CC1	921820260	NIZSXXPUNVRIIU-UHFFFAOYSA-N	374.419	4.544	50	20	FJGD	
NC(=O)[C@H]1CC[C@H](CNCc2cccc(S(F)(F)(F)(F)F)c2)CC1	922192782	WQLXWLPFXZNORD-AULYBMBSSA-N	372.403	4.725	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)c1C	104711659	UFTXCFDVFGAUQZ-AQTBWJFISA-N	358.445	4.609	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)nc(Cl)c1	124187666	JFZYQTVPNREDND-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259226	SXGPSLQIBATYGC-GWCFXTLKSA-N	374.375	4.969	50	20	FJGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)c1cccc(C)c1C	727655144	PESPZRYSSGUPKF-DHDCSXOGSA-N	370.246	4.864	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnc3c(C)cccn23)cc1	741468720	KBRIXFDNTQLVRE-BRYHAGSVSA-N	358.445	4.702	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(F)cc(C(F)(F)F)c1	748017861	YTUCXARYRNINHK-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)Nc1ccccc1Cl	761390753	FNGXXEKPCVZLMG-YFHOEESVSA-N	357.797	4.634	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccccc1NCc1ccccc1	763534029	CXTGSYJFIFSWHL-UHFFFAOYSA-N	351.837	4.709	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC=C(F)C1	766533841	DYOFTHFPNQXUMB-UHFFFAOYSA-N	367.336	4.592	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)c1ccc(F)c(Cl)c1	773143978	HMQQGXWBUDUKSC-SDQBBNPISA-N	351.711	4.870	50	20	FJGD	
C[C@@H](Sc1nc2ccccc2s1)C(=O)NNc1ccc(Cl)cc1	776485816	ASEGFZHPLYGFRE-SNVBAGLBSA-N	363.895	4.574	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)C(=O)c1cccc(F)c1	789147301	HEPAFRVBNDREQY-SXGWCWSVSA-N	365.795	4.514	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc(COc2ccc(OC)cc2)n1	794875721	XXMZCYLDNYTFPB-UVTDQMKNSA-N	370.474	4.643	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1OC	794885180	OQXTWLQEUGYHCN-XDHOZWIPSA-N	372.424	4.822	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1	799632436	MVGHKKFKGKAXHQ-QFIPXVFZSA-N	374.488	4.677	50	20	FJGD	
Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(OCCCCl)cc1)CCC2	811464274	UNKRLWYVSIWAGO-SFHVURJKSA-N	364.942	4.969	50	20	FJGD	
Cc1ccc(Nc2ccccc2C(=O)NNc2cccc(Cl)n2)cc1	817006649	RTAQGUNLZKTCTE-UHFFFAOYSA-N	352.825	4.544	50	20	FJGD	
C#CCCN(CCOC)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	822460804	QPBPOKSULWVHKL-UHFFFAOYSA-N	372.359	4.848	50	20	FJGD	
C[C@H](O)[C@H]1CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	822461495	ZTEODXVGKJNXAD-JOYOIKCWSA-N	360.348	4.721	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)OC3CCCCC3)cs2)cc1	834752097	SVTMEFWDVFZPRP-PTNGSMBKSA-N	368.458	4.602	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(Cl)nc(C2CC2)c1	847608868	GAQGUJCJGGHGJL-UHFFFAOYSA-N	373.737	4.527	50	20	FJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ccccc2C)n1	865481810	KXJZZQSMOWHIAY-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1F	1319686037	FKCYQMPVYNHVGQ-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
CC(C)(C)c1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	11296524	QNLCUOYLBGQFRU-DTQAZKPQSA-N	370.460	4.559	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1cc2ccccc2o1	126327311	MCOXSIWGDFPULU-QPEQYQDCSA-N	352.733	4.784	50	20	FJGD	
CCCCCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192802531	OABQMPMFOWOJJT-UHFFFAOYSA-N	374.375	4.979	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1O[C@H]1CCOC1	268373683	KUCOTZFJEBXTSY-LSDHHAIUSA-N	367.536	4.507	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccccc1OCC1CC1	303808784	KUMUTLFOFUCIGE-KRWDZBQOSA-N	365.564	4.806	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ccccc3[N+](=O)[O-])sc2c1	729296425	NVDBEPNOCVZING-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)c1c(Cl)cccc1Cl	734551537	CXWAMFINKWEUBI-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1	743301784	WKDLNDJWVMVEAY-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)[C@@H](Sc1ccccc1)c1ccccc1	743815607	GFYQLTVFKOVUMU-SFHVURJKSA-N	369.877	4.712	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(-c3ccccn3)c2)cc1	747691876	XAILRIUNROBJPF-XDJHFCHBSA-N	369.424	4.693	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccccc1SCc1ccco1	756220949	MIGVJODPKZOCFV-UHFFFAOYSA-N	358.850	4.982	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2	769931493	JPGVBNPMRRCLRJ-UHFFFAOYSA-N	359.813	4.530	50	20	FJGD	
COC(=O)c1coc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	774117810	GPIDEDDHXMDLBM-SDQBBNPISA-N	370.817	4.907	50	20	FJGD	
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	780912244	BAWHAJJFLTYDNM-ZJUUUORDSA-N	365.389	4.811	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccccc3C(F)(F)F)csc2c1	794912626	NAPGEAOXGACKID-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	794932616	XFKCPEBNPXJZOF-SXGWCWSVSA-N	358.397	4.581	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1C#N	799496901	ABKRSJVXVWTJFH-LNKIKWGQSA-N	357.196	4.664	50	20	FJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc2nc(C(F)F)sc2c1	806695036	OMOISRKCGDAROV-UHFFFAOYSA-N	370.331	4.661	50	20	FJGD	
O=C(NN=C1CCCC12CCCC2)c1ccc(COc2ccccc2)o1	814762192	RGCUMUQIARACBH-UHFFFAOYSA-N	352.434	4.689	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1SCc1cccs1	816627992	DJBBQMLUEPYICR-UHFFFAOYSA-N	360.331	4.916	50	20	FJGD	
CCC(N)(CC)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178421	DUTLJJBYNWFJKL-UHFFFAOYSA-N	361.380	4.983	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1nc2ccc(Cl)cc2s1	856235363	XSQPJONLWLHSRD-UHFFFAOYSA-N	374.897	4.787	50	20	FJGD	
CCOCc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1	1338318663	JFLFTWIUEVAFQH-UHFFFAOYSA-N	354.237	4.679	50	20	FJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1	1787621665	VVVFTHDJJFGRPB-SFHVURJKSA-N	374.912	4.638	50	20	FJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3cccc(F)c3)cc2)cc1	89866075	MVSADOIWPBDQGI-UHFFFAOYSA-N	364.376	4.578	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(OCCCC#N)c1	102598557	LMWODKYYCKMAAO-QGOAFFKASA-N	369.424	4.949	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1OC	105570763	MQCNXDGTRNDGKM-QPEQYQDCSA-N	361.850	4.907	50	20	FJGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NN(Cc1ccccc1)c1ccccc1	125404887	NQGBQOSXMFZLBX-INIZCTEOSA-N	363.461	4.523	50	20	FJGD	
Cc1c(C(=O)NNc2cccc([N+](=O)[O-])c2)oc2c1ccc1ccccc12	178856188	BHNQNPZRXHNBNB-UHFFFAOYSA-N	361.357	4.560	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2ccccc2OCc2ccccn2)ccc1[N+](=O)[O-]	180572133	ALLOEFQCHAIIKY-CPNJWEJPSA-N	371.396	4.941	50	20	FJGD	
CN(C)C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	187786926	NPSPGZBJQNVJFL-NSHDSACASA-N	373.391	4.759	50	20	FJGD	
C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192985379	BYOBZWFEBUNKHN-JTQLQIEISA-N	372.359	4.684	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)c1C	212095509	BDFCIJDFHVMYDB-WJDWOHSUSA-N	358.388	4.906	50	20	FJGD	
CCCCC1CCC(C(=O)Nc2ccc(CNC=C(C#N)C#N)cc2)CC1	727112621	KUGIXDFWXDYZNN-UHFFFAOYSA-N	364.493	4.642	50	20	FJGD	
COc1ccc(NNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1	729273713	AJQUBKSPTJNGNX-SNVBAGLBSA-N	371.289	4.626	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)Cc1ccccc1F	731319342	ADJKUQNOOKCLGU-UHFFFAOYSA-N	352.409	4.607	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)c1cc2ccccc2o1	741848463	MMEKFKBIHUIFGX-OQLLNIDSSA-N	353.324	4.867	50	20	FJGD	
CCCCC[C@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743521976	UMZAEAUVKPEYKM-INIZCTEOSA-N	368.481	4.658	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCOc1ccccc1Cl	752364014	BPQLYPYOBWWWNE-CYBMUJFWSA-N	359.944	4.549	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccc(F)c(Cl)c1Cl)c1ccccc1	761814944	DPNRJEIQERJEMO-ZDUSSCGKSA-N	353.224	4.776	50	20	FJGD	
C[C@H]1C[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1C	762979407	IZQUEKAIWDZVAY-CMPLNLGQSA-N	373.391	4.948	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1cccc(CSc2ccccn2)c1	769993974	PUJLWGXPZGINFE-UHFFFAOYSA-N	368.437	4.662	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1	781040794	CYVAHDKWGSYGSL-UHFFFAOYSA-N	362.260	4.919	50	20	FJGD	
COc1cc(F)c([C@H](C)NCCO[Si](C)(C)C(C)(C)C)cc1OC	788022269	AWRKRDZHRICFGI-ZDUSSCGKSA-N	357.542	4.515	50	20	FJGD	
Cc1ccc(-c2ocnc2C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791720917	UKJLKNQOWFSERJ-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)[C@@H]3CCCOC3)ccc21	794885258	WAKCIJDHWUREMR-YPOUMIDOSA-N	358.441	4.717	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(-c2ccccn2)cc1	810333367	XJVPKKMGWNGZGR-UHFFFAOYSA-N	356.788	4.690	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cscc1C(F)(F)F)c1ccccc1	811628442	XZTWBPMEIHSMFD-LPDYGMJQSA-N	364.392	4.941	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	812248554	OWMFKOHDLXNJMI-MDWZMJQESA-N	370.334	4.563	50	20	FJGD	
Cc1sccc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	834417506	RFTDMCJJVNHODC-AUWJEWJLSA-N	352.381	4.827	50	20	FJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H](CN)C1CC1	841189071	DYGKQOMKQRIJBZ-GFCCVEGCSA-N	359.364	4.545	50	20	FJGD	
O=C(COC1CCCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918563826	XTTJQTPJKKDEDZ-AWEZNQCLSA-N	367.820	4.804	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OC)ccc2Cl)c1C	920815640	CMNORCJISDEWEO-MHWRWJLKSA-N	371.868	4.723	50	20	FJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1ccc(Cl)nc1	1323281767	CDEYDENLZUWRNY-UHFFFAOYSA-N	365.820	4.506	50	20	FJGD	
c1ccc(-n2cc(-c3nnc(CCCC[C@H]4CCSS4)o3)cn2)cc1	1331887815	CTKMTKPBJIYHHZ-INIZCTEOSA-N	372.519	4.789	50	20	FJGD	
COCCOc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	53106067	VYDCUSBKQBBFKC-LDADJPATSA-N	362.454	4.899	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)CCO4)n2)cc1	66407904	KNWIKWNUZWMCOA-BOPFTXTBSA-N	360.438	4.818	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCOC2(CCCCC2)C1	160570299	CGVBIVQWHITPDS-HOTGVXAUSA-N	357.585	4.699	50	20	FJGD	
CCc1nc(CC(=O)Nc2c(CC)cc(SC#N)cc2CC)cs1	175631625	ZIVFCPSETOTTFP-UHFFFAOYSA-N	359.520	4.585	50	20	FJGD	
O=C(Nc1ccccc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183388957	NMGUXQFQANOLSC-UHFFFAOYSA-N	366.311	4.921	50	20	FJGD	
Cc1nccc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	184409371	SLHIVFJVMAFRGS-UHFFFAOYSA-N	368.331	4.764	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F	194578414	FTHICHIXANAYIV-LZYBPNLTSA-N	361.401	4.894	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccccn2)ccc1OC(=O)c1ccc(F)cc1	211370547	UBFVJPODCRTXDS-ATVHPVEESA-N	374.371	4.513	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2OC)c1C	214221935	DUDZOZDYPKYULA-UYRXBGFRSA-N	365.477	4.768	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)c1nnc2n1CCCCC2	255380331	VKWDFJWXTGLCKY-OWBHPGMISA-N	364.836	4.982	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](CO)CC1	297100745	GJGIMYNSQPJPIL-NSHDSACASA-N	374.375	4.970	50	20	FJGD	
CC(C)(C(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1	731152754	SMTSUSYMWMWKTF-UHFFFAOYSA-N	350.393	4.514	50	20	FJGD	
CCC[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	746894539	NFEGMPFJDYNVEM-INIZCTEOSA-N	361.367	4.604	50	20	FJGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@@H](C)C1	747744441	NPVPMEJXILZTKZ-HOTGVXAUSA-N	372.472	4.839	50	20	FJGD	
O=S(=O)(Nc1cccc(C(F)F)c1)c1ccc(CCCCl)cc1	751279073	GPEMYYJMZFBZIY-UHFFFAOYSA-N	359.825	4.596	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccc(Cl)cc1	754679633	JPRKYBFVIHXRNI-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CSC)c1C	759357188	KJYQNTBTVMVUFM-UNOMPAQXSA-N	367.518	4.924	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc3sccc3c2)cc1C(F)(F)F	761571303	HLTIPWRLHOFIDG-UHFFFAOYSA-N	361.348	4.549	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1	763611309	YIONDFXSYNDKPZ-DTWKUNHWSA-N	355.187	4.805	50	20	FJGD	
COC(=O)c1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)oc1C	767915580	GHFTYICXWZPOBC-NVNXTCNLSA-N	364.426	4.871	50	20	FJGD	
COc1ccc([C@H](NC[C@H](C)CBr)c2ccc(F)cc2)cc1	770666418	KPNXEOPBTNZTFD-FZKQIMNGSA-N	366.274	4.544	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)Nc1cccc(Cl)c1Cl	772808778	YMRPPRFGOJPJNO-GHXNOFRVSA-N	360.175	4.550	50	20	FJGD	
CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772943139	FFIVDBXLYBJTEL-SNVBAGLBSA-N	374.375	4.785	50	20	FJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccc3ccccc3n2)C1	777462610	ZVDWIJKXAUBASG-PKOBYXMFSA-N	369.509	4.834	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Br)cc1C(F)(F)F	794865437	IOVFUATUDKVRPG-UXBLZVDNSA-N	360.173	4.990	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1	794954082	NUYZFSPFZJFVGM-JXAWBTAJSA-N	370.456	4.847	50	20	FJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(C2CCCC2)cc1	810494205	ONBSFOVTKMCBPI-UHFFFAOYSA-N	358.445	4.558	50	20	FJGD	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cn1	812244916	NLPFQNMVDOLXRG-LDADJPATSA-N	357.369	4.633	50	20	FJGD	
N#C/C(=C\c1ccccc1Br)c1cc(C(F)(F)F)ccn1	812248260	IAQYBKGZNYDDLC-YRNVUSSQSA-N	353.141	4.927	50	20	FJGD	
C[C@@H](Cc1cnn(C)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	837532348	MKRGKEAHMLNHSS-JTQLQIEISA-N	369.359	4.895	50	20	FJGD	
COCC1(CC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	843525214	WEKBSAVHHUFXQT-CYBMUJFWSA-N	367.820	4.661	50	20	FJGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)c1c[nH]c2ccccc12	920358389	CQCLYKLSDZVFAI-UHFFFAOYSA-N	373.378	4.925	50	20	FJGD	
CC(C)(C)[C@@H](Br)c1nnc(COc2ccc(Cl)cc2)o1	1118077263	UYLZSBMSJPNQQG-LBPRGKRZSA-N	359.651	4.784	50	20	FJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	3188662	HYMIOFSMTJQCSH-SAPNQHFASA-N	352.409	4.940	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1nc2ccccc2[nH]1	50826604	GOLDRDGVBIIOAR-SXGWCWSVSA-N	359.820	4.525	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	102924348	KHQGWZXATLZKTN-WQRHYEAKSA-N	360.438	4.969	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	104947257	OIHQWHBRWZRMIL-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
CC[C@H](CC#N)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	157022189	ALMCCCATGUIFSX-SKDRFNHKSA-N	365.808	4.720	50	20	FJGD	
Cc1ncccc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	170988492	OCHBVCIAJYZYOZ-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1	206952632	HJOXDKQLIOFGDD-ZROIWOOFSA-N	358.800	4.812	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	215784556	MPKMQDBLDUMLSV-UHFFFAOYSA-N	353.425	4.967	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2cnc3ccccc3n2)cc(C)c1OC(F)F	588580993	XIVCRCIPFUKQRD-DHDCSXOGSA-N	351.356	4.912	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Cl	727263938	KEQBJRIEFVWRSN-UVTDQMKNSA-N	356.784	4.590	50	20	FJGD	
CC1(c2ccccc2)CC(=NNC(=O)c2ccc(COc3ccccc3)o2)C1	729636709	NYCZMSPLBWPFCE-UHFFFAOYSA-N	374.440	4.696	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)c1nc2cc(F)ccc2s1	730148944	QKWWEYLUKXJMKU-NTUHNPAUSA-N	364.380	4.824	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)ccc1OC	730149529	AIPWGTRXXUCPMI-JYRVWZFOSA-N	354.406	4.907	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C3CC3)o2)cc1	732715187	ONNPNLTYZHTWFM-XNTDXEJSSA-N	374.362	4.715	50	20	FJGD	
Cc1cc2cc(C(=O)NNc3cccc(Br)c3)oc2cc1C	748022536	XJWJHGKYVVLLEP-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1C[C@H]1c1ccc2ccccc2c1	748644604	RABQMWFPFFHJJP-OALUTQOASA-N	368.383	4.688	50	20	FJGD	
CN(Cc1cc(Br)cs1)/C(=C/C#N)c1ccc(F)cc1	750791853	PQMFZAYWCWRKKI-GIDUJCDVSA-N	351.244	4.646	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H](C1CCCC1)C(F)(F)F	752765900	UVXXEPQHPCDSGR-JSGCOSHPSA-N	355.491	4.938	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C\c1nc(-c2cc(Cl)ccc2Cl)cs1	753897054	MLWIQNCTMNDYED-YHYXMXQVSA-N	367.257	4.975	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](C)c1ccncc1	759058801	UUYHDVFWKHTJNJ-CQSZACIVSA-N	353.491	4.912	50	20	FJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2cc(F)c(F)cc2F)C1	767093166	IWBNTSMTNKJYHA-KBPBESRZSA-N	372.431	4.703	50	20	FJGD	
Cc1cnccc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	769842745	IIQRDRBBGNWIOV-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)c(C(F)(F)F)o1	771432228	ROWPCOKCQUMPDG-UHFFFAOYSA-N	353.127	4.671	50	20	FJGD	
Cc1cc(OC(F)F)c(C(=O)NNc2ccc(C(C)(C)C)cc2)s1	780802824	UCUYLTUUJZNZOS-UHFFFAOYSA-N	354.422	4.712	50	20	FJGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2ccc(F)c(F)c2F)c1C	780952408	UCNBBFRQAMPLLA-UHFFFAOYSA-N	360.335	4.738	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2)oc1C	785373467	ZYRBFTNLDOVVFP-BOPFTXTBSA-N	361.376	4.643	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1Cc2ccccc2-c2ccccc21	787054486	OMLPLHXVKNKRRU-QGOAFFKASA-N	352.393	4.513	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cc1	788361733	CKWOIHCNRVFALT-FBJMNJBLSA-N	358.422	4.982	50	20	FJGD	
CC[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1nc(C)cs1	790295761	KHDMOLPCZHEZJN-LBPRGKRZSA-N	359.282	4.536	50	20	FJGD	
O=C(NN=Cc1ccc(C(F)F)cc1)c1ccc(COc2ccccc2)o1	794478394	NFWFUZAAWDPVGM-UHFFFAOYSA-N	370.355	4.560	50	20	FJGD	
CC(C)n1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)n1	797680646	ODIBGJJTNNZEFS-UHFFFAOYSA-N	362.648	4.573	50	20	FJGD	
Cc1csc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1C#N	809004719	YGOGKBUBKBDMKQ-REZTVBANSA-N	366.490	4.548	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(F)c1	1254746280	PVZQZHAXEAJQKQ-ZSOIEALJSA-N	363.310	4.865	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	5712695	IRQHMTDFGYOUGL-XNTDXEJSSA-N	370.836	4.601	50	20	FJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1	15631674	QOKOBTWFETVUSH-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3c(F)cccc3F)o2)c(C)c1	118516646	SFJIACXSZDMBGT-UHFFFAOYSA-N	372.371	4.511	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc([N+](=O)[O-])cc1	175632672	BPCNSKCTZDWKRU-UHFFFAOYSA-N	355.419	4.545	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N(C)C)c(F)c2)c1C	727653985	DQHJSUAYKFODLY-BOPFTXTBSA-N	353.441	4.510	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1F	739427750	XXIGWKTYWIHTML-PDGQHHTCSA-N	365.452	4.834	50	20	FJGD	
CC(C)c1ccc(C=NNC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-]	741462931	RVZIOOUAOWBFIU-UHFFFAOYSA-N	361.401	4.635	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3cccc([N+](=O)[O-])c3)sc2c1	748004941	YHIZQAYOBALGTC-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1)c1ccccc1	761392821	PTNPCDZRVLBPGT-KWJWQAOWSA-N	350.365	4.551	50	20	FJGD	
CCCN(N=C(C)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C	794998647	RUKVGKUGJNXFMV-UHFFFAOYSA-N	355.822	4.619	50	20	FJGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1F	799466569	IHAAYOAAUSZLJG-ZDUSSCGKSA-N	364.342	4.898	50	20	FJGD	
C/C(C=NNC(=O)c1ccccc1F)=C/c1ccccc1C(F)(F)F	799866432	GTDNGGWRZWAPJC-NBKQNWSWSA-N	350.315	4.664	50	20	FJGD	
Cc1nc2ccccc2cc1C(=O)NNc1ccnc2cc(Cl)ccc12	812022920	SFBBAMUFBODZJB-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
CC1CC(=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)C1	814702192	NROBOLSEXTVIMD-UHFFFAOYSA-N	358.441	4.935	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H](CCCO)C1	836498476	PZBJAIMNXLKUJO-NSHDSACASA-N	374.375	4.970	50	20	FJGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378409	HCTLSFLEKRKWLB-UHFFFAOYSA-N	374.794	4.673	50	20	FJGD	
N[C@H]1C[C@H]2CC[C@H]1N(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C2	853317197	QWCRUWLGSMLNNH-JIMOISOXSA-N	371.375	4.688	50	20	FJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1	916132426	FASYRDHPCBWFOO-WQRHYEAKSA-N	374.469	4.874	50	20	FJGD	
CN(N=Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)OC(C)(C)C	921260306	XENLCAOYZRSGCH-UHFFFAOYSA-N	362.376	4.958	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OC	6410840	PWSAFNCJQRAFAS-QGOAFFKASA-N	364.445	4.592	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccco1	7157291	IUTKNEKSAQOGMB-RSZPVBOMSA-N	373.456	4.531	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)ccc1OC	11297555	JHILRXSJMBDICO-MHWRWJLKSA-N	355.821	4.927	50	20	FJGD	
COc1ccc(OCc2nc(/C=C(/C#N)C(=O)CC(C)(C)C)cs2)cc1	63278872	XROCXAYHQRFSIB-ZROIWOOFSA-N	370.474	4.643	50	20	FJGD	
Cc1c(NC(=O)CCCC[C@@H]2CCSS2)cnn1-c1ccccc1	129059459	VVVDMIRORZHXBJ-MRXNPFEDSA-N	361.536	4.833	50	20	FJGD	
O=C(NNc1ccncc1Cl)c1ccc(CSc2ccccc2)cc1	154678172	AHAWMSXHIFNUKA-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
CC(C)(C)CC(=O)NCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186822369	BOYITWFWHREPHK-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	206947382	HVMHDBFZBCAFEX-WDZFZDKYSA-N	352.262	4.529	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cn(-c3ccc(F)c(Cl)c3)nn2)n1	588423272	YASZGNPCXNKIBN-VZUCSPMQSA-N	373.844	4.704	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1COc1ccccc1	588604353	VUIXVTDMBUPXGH-RGEXLXHISA-N	370.408	4.517	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC[C@H]2CCC(C)C)ccc1OC(C)C	727256084	HDLFOHKNGRZXKO-INIZCTEOSA-N	360.498	4.805	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc2c3ccccc3n(C)c2s1	748571583	IPWGUAOCBCWGRS-UHFFFAOYSA-N	353.422	4.597	50	20	FJGD	
O=C(CCCc1csc2ccccc12)NNc1cccc2cnccc12	748763648	DLROAXPEDYDHGM-UHFFFAOYSA-N	361.470	4.916	50	20	FJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)Nc1nc2ccccc2nc1Cl	750818225	RLIDEFJHTRWCHQ-RVDMUPIBSA-N	374.831	4.706	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccccc1C1CC1	751131253	NRFSOAYODDGZMK-UHFFFAOYSA-N	370.452	4.760	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=C1CCC(C(F)(F)F)CC1	766015954	QIFIPEOYLAVIKN-UHFFFAOYSA-N	362.392	4.533	50	20	FJGD	
COc1cc(NNC(=O)CCCCCc2cccs2)ccc1Cl	790180982	VVEBTKWDVQZZPN-UHFFFAOYSA-N	352.887	4.656	50	20	FJGD	
CN(C)C[C@H]1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	792866109	FLUMEWZOUPDZEP-HXUWFJFHSA-N	362.634	4.592	50	20	FJGD	
N#C/C(=C\c1cscc1Br)C(=O)Nc1ccccc1Cl	794689988	VVCUJRZMAQSARA-WEVVVXLNSA-N	367.655	4.710	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	794872977	ARWCAOYARBZREU-AQTBWJFISA-N	370.456	4.847	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1OCC	794884866	NGTDDHMGJGNCPY-XDHOZWIPSA-N	372.424	4.822	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNc1ncccc1F	804214823	RPNDRKRWJNBPJY-NTMALXAHSA-N	373.840	4.759	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl	811626200	DMDXFQBCUWWWGX-WZUFQYTHSA-N	366.726	4.610	50	20	FJGD	
N#C/C(=C/c1ccc(OCCCCl)cc1)C(=O)c1c[nH]c2ccccc12	811685706	AJGKIKGEPSFXOF-VBKFSLOCSA-N	364.832	4.965	50	20	FJGD	
CS[C@H](C)CCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015437	CDAKFFHZVAFUNY-MRVPVSSYSA-N	374.350	4.699	50	20	FJGD	
O=C(C[C@H]1C=CCC1)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015483	DTIKIOFANJXTKK-VIFPVBQESA-N	352.278	4.524	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2CCc2ccccc2)cc1	817911185	LSSWRRHWYVZNAI-UHFFFAOYSA-N	360.457	4.627	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccco3)c3ccccc3n2)cc1	915922852	JLTRCBGLEORSSP-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
COc1cc(NNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)ccc1Cl	1321143801	MKVNEMZSFDDUNE-GORDUTHDSA-N	371.651	4.812	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(/C=C/C(=O)O)cc2)cc1	1776271630	LQYLECYYWGOMSD-MZZBYLLYSA-N	359.425	4.872	50	20	FJGD	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	6584008	WKXCPTSREZUEAX-JLHYYAGUSA-N	360.385	4.556	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1	120557408	ASVMRLJHFDENLM-UHFFFAOYSA-N	369.852	4.688	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Cl)c(C(F)(F)F)c1	153478985	KREPAKZEONGQMX-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3ccc(C(C)(C)C)cc3)c2)cs1	181157418	SSIQVMKSRDMKSW-UHFFFAOYSA-N	354.479	4.501	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	195194074	PPDPAEBZLBMKIV-LDADJPATSA-N	361.397	4.638	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)c1nc(-c2ccncc2)cs1	588559817	LKHRFKMRUDIGNW-JYRVWZFOSA-N	367.817	4.621	50	20	FJGD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCC[C@H]1CCSS1	725906096	QXFPIRLXYWPWTO-ZDUSSCGKSA-N	354.497	4.864	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1cc2c(s1)CCC2	727254700	XMOWEKHAFIHRRP-UHFFFAOYSA-N	372.799	4.673	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NN=c3cc[nH]c4ccccc34)c(F)c2)cc1	730287959	XSDGMGYIQGSQLI-UHFFFAOYSA-N	371.415	4.528	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1C	730437176	QOVFYDMPTGQYID-WQLSENKSSA-N	362.248	4.618	50	20	FJGD	
Cc1cc(O[C@H](C)C(=O)NNc2nccc3sccc23)ccc1C(C)C	734246686	ISFGJGYTOMUJMG-CQSZACIVSA-N	369.490	4.639	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)n1	736432667	DPTZOLRWZFAQGE-YRNVUSSQSA-N	374.535	4.740	50	20	FJGD	
COc1cc(/C(C#N)=C\c2csc(-c3cccs3)n2)ccc1[N+](=O)[O-]	766778312	JKSVJLGZTJWGLN-GHXNOFRVSA-N	369.427	4.853	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc(Cl)c2)c(Sc2ccccc2)n1	767854474	FEOFAOATXQAJSO-UHFFFAOYSA-N	369.877	4.952	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](c1cccc2ccccc12)C(F)(F)F	776007143	AIZFKGRETSGPDC-KRWDZBQOSA-N	359.351	4.770	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3cc(C)cc(Br)c3o2)c1	782751919	JIERQRJNGYRJLY-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2c(F)cccc2F)cc1)c1ccccc1	788512844	KFOOJPDGXMPIFP-CQSZACIVSA-N	368.383	4.862	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1nc(C2CCC2)cs1	799446337	MPSDGGCXJQYQOM-UHFFFAOYSA-N	356.373	4.578	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc2cccc(F)c2c1COC	799756423	ARIFMYJGWDIKCD-UHFFFAOYSA-N	372.465	4.815	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1C(F)(F)F)C(=O)c1ccoc1	806557224	OXXUWSHTCNHIHE-WZUFQYTHSA-N	370.124	4.851	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Nc2nc(C)cs2)cc1	811492955	BVPPDDRLKHLSQA-UHFFFAOYSA-N	366.490	4.823	50	20	FJGD	
N#C/C(=C/c1cc(O)ccc1Br)c1cc(C(F)(F)F)ccn1	812248196	GMOSGXUQTZQCAW-YHYXMXQVSA-N	369.140	4.633	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C)n(C2CCCCC2)n1	812769819	CAOKCUFYGHWEHQ-UHFFFAOYSA-N	354.498	4.885	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1	846379216	SYKLKYSNIQYUGY-OAHLLOKOSA-N	371.790	4.637	50	20	FJGD	
CCCn1cccc1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	918184399	JQVYAGQNJQEGMX-GXDHUFHOSA-N	369.273	4.543	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)c1ccc(F)c(Cl)c1	1319782708	DNXIOMNEGNYWGH-LFIBNONCSA-N	354.812	4.869	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2ncco2)c1	120202233	YFDJLFURVMLNKF-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
CN1CCc2cc(/C=C(/C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21	129789748	QGSQMJIJESPCCL-ODLFYWEKSA-N	368.465	4.738	50	20	FJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNc1cccc(F)c1	154134885	OMTUIZPCMZQLGM-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
Cc1csc(SCc2ccc(C(=O)NNc3cccc(F)c3)cc2)n1	154147743	KHRBUFMJRBKVTJ-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(OC(F)F)c(C)c2)cc1	211456210	MNDJQQMRZLHVJU-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	726876397	RIEZMRRAPGFNDN-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
Cc1ccccc1-c1cccc(C=NNC(=O)Cc2c[nH]c3ccccc23)c1	729637321	YLXQUVISCWNODE-UHFFFAOYSA-N	367.452	4.836	50	20	FJGD	
O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)NNc1ccccc1	734263510	LGRZRPOMSXCUDC-BPURVQTLSA-N	369.468	4.610	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(S(C)(=O)=O)cc2)CC1	741467955	BGUXASXLQSJTGU-RGEXLXHISA-N	373.518	4.563	50	20	FJGD	
CC(C)CCC(=O)NNc1c(Cl)cc(Br)cc1Cl	742004967	HTZHQCNHAFWUOY-UHFFFAOYSA-N	354.075	4.635	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	742042075	INSNGZXHRLRKGL-GJZGRUSLSA-N	355.652	4.894	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(Cl)nc2ccccc12	747604881	JAFPAIIMOKJTGY-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1cnc([C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)o1	770923267	BKZUDIFNWXDWBG-OXNWSPOFSA-N	369.465	4.659	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(F)cc1C(F)(F)F	771876724	CIDTZLQCLQPQSA-UHFFFAOYSA-N	374.337	4.691	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1O	773155640	VOZZCYPXMAHRPA-OVCLIPMQSA-N	371.795	4.712	50	20	FJGD	
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)c1cc(SC)ncn1	773170088	CMDHNXUKSROAHM-WQRHYEAKSA-N	359.454	4.938	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Cl)c(Br)c1	775629360	DRUWKTSFEPTRFJ-WDZFZDKYSA-N	350.599	4.794	50	20	FJGD	
C=CCC[C@@H](C(=O)NNc1cccc(Br)c1)c1ccccc1	779008439	QUFGUJYQANNDLH-QGZVFWFLSA-N	359.267	4.642	50	20	FJGD	
C=CCC[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1	779010255	KGFBCGANYQZVAO-KRWDZBQOSA-N	364.367	4.778	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)Cc2csc(-c3ccccc3)n2)cc1	780808315	FLENMIOZHDJCLY-UHFFFAOYSA-N	365.502	4.793	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	782370085	SBLACRQQCIUORX-RMKNXTFCSA-N	374.149	4.536	50	20	FJGD	
COCCOc1cccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)c1	788332629	STHUICDLCPDCSW-BOPFTXTBSA-N	363.438	4.716	50	20	FJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)Nc1ccccc1C(F)(F)F	794688386	ZIPKLTATLUHODN-UVTDQMKNSA-N	356.303	4.997	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(O)ccc2Br)cc1C	809145559	AFARYXUQZOFVGE-NVNXTCNLSA-N	356.219	4.561	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1c(F)cc(C(F)(F)F)cc1F	811493015	DGDCSXRVPLVPAL-UHFFFAOYSA-N	358.310	4.611	50	20	FJGD	
N#C[C@@H](C(=O)CCCC[C@@H]1CCSS1)c1cc(C(F)(F)F)ccn1	813211223	GIGODOVJOZEUJF-CHWSQXEVSA-N	374.453	4.991	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)Nc1cccc(C)c1C	814187136	AMKFLGCJKMOFRC-JVAASGMSSA-N	360.457	4.942	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CC(C)(C)C#N)c(C)n1C1CCCCC1	817618127	VFYHDFSZDBFQHG-UNOMPAQXSA-N	366.509	4.525	50	20	FJGD	
N#Cc1cccc(NNC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c1	918231819	TZCPFXGTBLGMAY-QFIPXVFZSA-N	370.456	4.558	50	20	FJGD	
C[C@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)cc1F	1324711557	GKFWRACXXXMNQN-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
O=C(CCl)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1	1341510173	ZQOYXJLHVXLZIR-UHFFFAOYSA-N	374.815	4.807	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)s2)o1	1777433711	XSULQLPWORPQMY-XNTDXEJSSA-N	363.394	4.805	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1OC	5653902	PMGGCOXGQPVVPS-WOJGMQOQSA-N	364.445	4.565	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OC(=O)c1ccc(F)cc1	7155261	UBFVJPODCRTXDS-SFQUDFHCSA-N	374.371	4.513	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)c2ccccc2)o1	14137503	IDSYXJNEIQSQNF-SSZFMOIBSA-N	357.365	4.523	50	20	FJGD	
COc1cccc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	31817435	AOVXQTHQHPQCMI-WGBIJJAVSA-N	368.483	4.698	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2c(c1)oc1ccccc12	74469594	RNWPNVSBEPTTLE-UHFFFAOYSA-N	367.836	4.890	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c1	127826847	RMYMIHCQQSLNHQ-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccc(OCCCC#N)c2)c1C	726787572	OVBNREQYWVTPHY-XSFVSMFZSA-N	373.456	4.763	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc(OC)c1O	730148697	JVNGGAWQQCEOHK-RIYZIHGNSA-N	366.417	4.942	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2oc3ccccc3c2c1	733908477	HEANCRFPWXEVIF-UHFFFAOYSA-N	367.836	4.890	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C#N)c2)cc1	741853352	XKLKZVWCSLFXPE-CCRNYGKSSA-N	359.429	4.626	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3ccccc3Cl)on2)c(C)c1	743764657	OZCLDPXIHDMJBE-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
Cc1cccnc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	750178555	GUWQOJKHPYOHBM-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1cccc(F)c1	754086257	FVEOCYVOJATYBA-UHFFFAOYSA-N	369.223	4.629	50	20	FJGD	
C/C(=C\C(=O)NNc1ncc(Cl)cc1Cl)c1cccc(Cl)c1	775266119	FPJLMVHZJZDIFC-WEVVVXLNSA-N	356.640	4.588	50	20	FJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC(C)(C)C3)cc12	783785971	KCHXMMXFRJIOAI-UHFFFAOYSA-N	366.490	4.691	50	20	FJGD	
CCNc1ccc(Cl)cc1C(=O)NNc1ccc(C(F)(F)F)cc1	792401511	ZVKPSFFSBGUZHV-UHFFFAOYSA-N	357.763	4.548	50	20	FJGD	
CCCN(N=C(C)c1cnn(-c2ccccc2)c1C)C(=O)OC(C)(C)C	794997347	YCOFVYPHUPWITE-UHFFFAOYSA-N	356.470	4.552	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cnn(-c3ccccc3)c2C(C)C)cc1	837055124	AVHGZBFPQDAQGN-UHFFFAOYSA-N	362.477	4.876	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)c(Br)c1	843263720	DRHGIUDOYJPYEI-SDQBBNPISA-N	361.264	4.856	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2cccs2)c(C)n1CCC(C)C	912663994	HWFFZRQPUHYXSO-XDHOZWIPSA-N	369.534	4.778	50	20	FJGD	
C[C@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)c(F)c1	1253941846	KMEJLCKLDHKWOK-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
C[C@@H](CBr)CN1CCC[C@H](c2nc3ccccc3s2)C1	1320645410	QCDZUGSCWTUMME-STQMWFEESA-N	353.329	4.507	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1N1CCCC1	22741536	BIHSCLXMXFSGJG-OAHLLOKOSA-N	350.553	4.939	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1C(=O)c1cccs1	151721364	SDKUMWMZSHQWIB-UHFFFAOYSA-N	374.824	4.529	50	20	FJGD	
CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184412114	AGQGHTMYMLYSLV-JTQLQIEISA-N	360.348	4.844	50	20	FJGD	
C[C@@H]1CCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	187258242	QMUYWRFDUQKLMH-SECBINFHSA-N	351.362	4.517	50	20	FJGD	
CCCCN(CC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	188040951	VDFLQYIPHYHKPE-UHFFFAOYSA-N	374.375	4.931	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1OC	191356721	UDEKQSHGXARXFN-SFQUDFHCSA-N	359.429	4.881	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@@H](C)CC)ccc1OCC(F)(F)F	726427927	BFDSTQDWYHBYIA-ACLQVGRQSA-N	355.356	4.549	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)cc1)c1ccc(Br)cc1Cl	728782104	FJXFSOJEJWXGPK-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)s1)C(=O)NCc1ccco1	732575156	TYQXLIKVFCSULW-UVTDQMKNSA-N	368.845	4.885	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)C(=O)c3ccoc3)c2Cl)cc1	752886228	IQAAWNUAUICRGB-MFOYZWKCSA-N	365.820	4.585	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1ccncn1	758912143	LRCKNYBUAHIHQT-LCYFTJDESA-N	352.191	4.563	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(F)F)cc1)c1ccccc1	787140528	HGBCOHRJNQQPIF-LYPXWFNGSA-N	370.399	4.505	50	20	FJGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cn2c1	789128224	OKZWWTZVTRWFQL-AWNIVKPZSA-N	360.804	4.567	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)c(OC(C)C)c1	789821296	SHFNOFLTGFHUEO-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
CO[C@@H]1CCOc2c(NC(=O)CCCC[C@@H]3CCSS3)cccc21	790600922	OXRCZBXSSVYOGO-CZUORRHYSA-N	367.536	4.809	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cccc(F)c2)cc1)C(=O)[C@H]1CCCOC1	794885059	SYIIWMMQYMGJOP-KTZOAPACSA-N	351.377	4.521	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1OCC	797398495	HTDNEIJBSQZTTB-WJDWOHSUSA-N	366.486	4.915	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c1	809145659	CGNFWKPJRHFROY-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2ccccn2)cc1	810336015	XJXILYJOCUCSRC-UHFFFAOYSA-N	372.350	4.916	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)c1ccc(Cl)s1	811627404	AHTDLMSKAUARHO-YCRREMRBSA-N	357.740	4.916	50	20	FJGD	
CC(C)c1nnc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)s1	844336462	LXNCIOFGRUDZJZ-CQSZACIVSA-N	355.624	4.648	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccccc2CSc2nc(C)cs2)cc1	912593968	DCOABKXSNFPJDA-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)Cc1c[nH]c2ccccc12	917211962	PSZNLHDLYNRKAV-UHFFFAOYSA-N	373.456	4.950	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc(CC)n2)c1C	923148753	YVYXYDMFEPDAKU-YVLHZVERSA-N	371.506	4.574	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(CCc3ccccc3)o2)c(C)n1CC(C)C	1118071092	XKQALDBEUDJVRZ-BKUYFWCQSA-N	374.488	4.993	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(C(=O)O)c(Cl)s2)s1	1776277056	KHUKYUDQUFLFNK-XBXARRHUSA-N	352.868	4.918	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1	17700063	UXXRRMDYLAEGKA-XNTDXEJSSA-N	363.417	4.803	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc(OC)c1	44027384	UZPLXGKELVAEHG-WLRTZDKTSA-N	366.804	4.628	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1[C@@H](C)c1ccccc1	122791332	IZLBEMBMHPXCIM-HNNXBMFYSA-N	351.425	4.610	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1	158978857	VNCAKJLTCNTNMO-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1	193754377	DOQQCZUXPCETGP-GDNBJRDFSA-N	360.335	4.748	50	20	FJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C	728286861	JPNOXTCDWGCTET-SXGWCWSVSA-N	371.868	4.641	50	20	FJGD	
CC(C)(CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	729514491	GHESONNMGNXLMQ-UHFFFAOYSA-N	353.853	4.699	50	20	FJGD	
CCO[C@@H]1C[C@H](NC(=O)CCCC[C@H]2CCSS2)C12CCCC2	742918061	KKIVKTGDFHJDNF-HRCADAONSA-N	357.585	4.555	50	20	FJGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@H](C)C1	747744443	NPVPMEJXILZTKZ-HZPDHXFCSA-N	372.472	4.839	50	20	FJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)Nc1nc2ccccc2nc1Cl	750818224	RLIDEFJHTRWCHQ-PTNGSMBKSA-N	374.831	4.706	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccccc1C1CC1	751134395	LVYGGHHZEITUHQ-UHFFFAOYSA-N	361.470	4.760	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)c2nc3ccccc3n2C)cc1Cl	753887969	SOEOPFJXRRPSSG-KPKJPENVSA-N	358.228	4.953	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1	754312697	VSSSVYJGYSXJHD-UHFFFAOYSA-N	366.440	4.510	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1ccc(C(F)(F)F)cn1	754313042	WBKNGFBDWAPTIJ-STQMWFEESA-N	363.383	4.533	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl)c1ccccc1	761387624	XVXDONWNOSEESI-BXBOZWQASA-N	367.811	4.525	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCCC2)ccc1OCC(F)(F)F	767714967	RQBPGUDDNOATSN-OQLLNIDSSA-N	367.367	4.693	50	20	FJGD	
Cc1nc2ccc(NC(=O)NNc3cc(Cl)cc(Cl)c3)cc2o1	792225911	USRMHEHZSPVMJJ-UHFFFAOYSA-N	351.193	4.592	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1OCc1ccccc1	798230354	PUZGDUOBYAJCIF-YBFXNURJSA-N	359.381	4.657	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2SC)cc1	800578392	PCJULIFXSDNXGO-OVGFGYAMSA-N	366.486	4.592	50	20	FJGD	
CCc1oc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cc1C(=O)OC	800791248	JVFBSCSVUCBAPM-JYRVWZFOSA-N	365.410	4.633	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])cn1	812241509	FMSJHSJCNCNTIW-GDNBJRDFSA-N	361.332	4.985	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ncoc1-c1ccc(F)cc1	812768756	FOKNUCMOXQVYAN-UHFFFAOYSA-N	353.397	4.669	50	20	FJGD	
Cc1cccc(COc2cccc(C(=O)NNc3cccc(Cl)c3)c2)c1	825331186	ZNFVCSHZROKFNR-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CC3)c2C)cc1Cl	915848737	RGTHEEJMMPIUAO-DHDCSXOGSA-N	369.852	4.648	50	20	FJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(Cl)cc2Cl)c1C	916336447	FTYQOWALYGVGLN-ZDUSSCGKSA-N	365.260	4.528	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)c1	920063838	HDOSBBQSXRTFLG-VGOFMYFVSA-N	352.440	4.670	50	20	FJGD	
CN(N=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)OC(C)(C)C	920380756	FTKRSMOJDBPHQL-UHFFFAOYSA-N	363.461	4.890	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	6209342	PWAWHSRCJCXNMT-JXMROGBWSA-N	352.262	4.529	50	20	FJGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)s1	26154516	OSIUJOMZDHKCFT-FMIVXFBMSA-N	362.248	4.648	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1Br	44028488	OAPXZTGQMDRKDZ-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2ccc(OC(F)F)cc2)c2ccccc2n1	122803786	QAAPIVRQXCNQQI-UHFFFAOYSA-N	371.387	4.717	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1OC	170933540	MQCNXDGTRNDGKM-NTUHNPAUSA-N	361.850	4.907	50	20	FJGD	
CCCCCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186997670	ANWYVKUNBQOPMO-UHFFFAOYSA-N	374.375	4.979	50	20	FJGD	
CCC1(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	194690546	WJSIUYYJFMLJIX-UHFFFAOYSA-N	372.359	4.731	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(Br)cc1)c1ccccc1Cl	727485185	FKCIVNHPJMEBPJ-ZHACJKMWSA-N	365.658	4.649	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)c(F)c(F)c1	728455569	LCNVAQKFSQNUDR-UHFFFAOYSA-N	369.557	4.821	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(Br)ccc3F)[nH]c12	735620118	UOUDOCOUIGABBK-GHXNOFRVSA-N	356.198	4.837	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)c(Br)c3)[nH]c12	735620399	YZEUINLZKCHCRN-GHXNOFRVSA-N	356.198	4.837	50	20	FJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(C)c1	741881424	RNMZHCSRAKIGIR-UHFFFAOYSA-N	359.640	4.721	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(OC(F)F)cc1C	742346239	IDJOHFCUDNZCEB-ZROIWOOFSA-N	360.335	4.590	50	20	FJGD	
CS[C@H]1CC[C@@H](NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	745894554	QXYNGPMAXYBGFX-BDAKNGLRSA-N	368.717	4.557	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)ccc2Cl)cc1C(F)(F)F	746894665	YLZXODXQXKXYMW-UHFFFAOYSA-N	374.149	4.641	50	20	FJGD	
CCc1ncsc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	747229838	RONJZMZBSDRZCI-LICLKQGHSA-N	370.522	4.716	50	20	FJGD	
CC[C@@H](CC(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	748704262	FWXUDMAQDQEWMS-AWEZNQCLSA-N	366.383	4.655	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	752524267	AZLJPUGYMUGUBU-PTNGSMBKSA-N	362.326	4.866	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2C(C)(C)C#N)cc1	767996600	ZKIGHAWDKIETTH-CPNJWEJPSA-N	374.440	4.537	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	768268792	OFZKHIUJPDGNDW-IZZDOVSWSA-N	358.182	4.573	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3ccc4c(c3)CCCC4)nc(O)c2c1C	792866137	KZEVTYLKVFULQC-YVLHZVERSA-N	361.470	4.957	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cn1	797785473	GBKDVMAKIOIRJA-LGMDPLHJSA-N	372.403	4.534	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H]2COc3ccc(Cl)cc32)cc1	811483642	JFXVZRJOGPXUCZ-QGZVFWFLSA-N	352.261	4.571	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1ccccc1F)=C\c1ccccc1OC(F)F	811685482	TVSMXWRBRWGKSF-RJSPBKBSSA-N	372.346	4.919	50	20	FJGD	
COc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1OC	812247113	ZFZBHHDPUMYQMM-WZUFQYTHSA-N	368.742	4.835	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2c(C(C)C)nn(C)c2s1	812769846	CQGVNQWCFJCWMQ-UHFFFAOYSA-N	370.522	4.947	50	20	FJGD	
O=C(NN=C1CCC(F)(F)CC1)c1ccc(-c2ccc(F)cc2)s1	842522156	UMLNQVNRFLTYAW-UHFFFAOYSA-N	352.381	4.849	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1Cl	915843658	NYLAIRHBXYWSOO-WJDWOHSUSA-N	370.884	4.808	50	20	FJGD	
C=C(CBr)COC(=O)c1nc(-c2ccccc2)oc1C(C)C	1321113541	OQXBFQGMUXUPGT-UHFFFAOYSA-N	364.239	4.573	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccnc2)c1	58088754	TVZPWDGZHKJRDR-MOSHPQCFSA-N	369.424	4.515	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC	63279031	RXCXJYDJPAEKKE-RQZCQDPDSA-N	373.437	4.763	50	20	FJGD	
CCCN(Cc1ccccc1O)C(=O)CCCC[C@@H]1CCSS1	116731771	NEYIUBMYGXCSSY-MRXNPFEDSA-N	353.553	4.845	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CCCC[C@@H]1O	184420676	ZKNQUPYCHLYWDL-RYUDHWBXSA-N	360.348	4.769	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1CCCC[C@H]1O	184420696	ZKNQUPYCHLYWDL-VXGBXAGGSA-N	360.348	4.769	50	20	FJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccc(F)cc1Br	727254925	DAUCRXMCUVXXER-NSHDSACASA-N	355.251	4.664	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c(C)c2)cc1	746394139	OGYSJAFICKXZRE-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1OCCC(C)C	747612564	FWXMFKWYJKBTMK-GZTJUZNOSA-N	353.418	4.811	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)c1c[nH]c2cc(F)ccc12	749891054	HQQDHALKKGNNHU-ZSOIEALJSA-N	357.344	4.752	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cc2ccccc2s1	752086030	ZAWUPMJHDRITCX-YDRQLGOLSA-N	350.418	4.825	50	20	FJGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1cc(F)c(F)cc1F	757390162	WGMHHXVPOOVORB-UHFFFAOYSA-N	365.399	4.627	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)cc2cccnc12)c1ccccc1	763174764	CFKAOIFVIUUEBV-GOSISDBHSA-N	351.837	4.532	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(F)cc1C(F)(F)F	768180428	HHFMMIKJHUINKC-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12	787457634	HUIIBLNPPQFHAO-LBPRGKRZSA-N	361.367	4.824	50	20	FJGD	
N#C/C(=C\c1cscc1Br)C(=O)c1ccc2ncccc2c1	794691944	REGIRPIKIMRJJU-NTUHNPAUSA-N	369.243	4.849	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccc3cccc(Br)c23)cc1	806398200	AZNMENXKHGIUNF-UHFFFAOYSA-N	355.235	4.668	50	20	FJGD	
CC1(C)CNCC[C@@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190703	RFCJUSTZDWJFDC-LBPRGKRZSA-N	373.391	4.854	50	20	FJGD	
NC[C@H]1CC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	868148773	ZNUQZGFCNDAMKK-XYPYZODXSA-N	373.391	4.983	50	20	FJGD	
Cc1[nH]c2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2c1C	913188575	ZEEUFCOXSGIKSY-UHFFFAOYSA-N	364.836	4.743	50	20	FJGD	
COc1ccccc1C1(NC(=O)CCCC[C@H]2CCSS2)CCC1	1116075661	PYTMPAIUDNGYIN-HNNXBMFYSA-N	365.564	4.905	50	20	FJGD	
N#C/C(=C\c1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	6430814	VKJSXCQIJAACTR-KPKJPENVSA-N	372.660	4.985	50	20	FJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)Nc1ccccc1Cl	127716362	XEOHBKPSMIVZHB-LDADJPATSA-N	359.816	4.948	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1	150859129	QUHYQIQVEXHSSC-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181780257	OFZWXJHSAHAGFZ-UWVGGRQHSA-N	362.364	4.873	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2nc3ccccc3s2)o1	184345171	PSTCJMHYDIOHFW-UHFFFAOYSA-N	367.405	4.761	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1)c1ccccc1	255735261	HVCIXYBAKOHYCA-CPEHUTGBSA-N	353.425	4.533	50	20	FJGD	
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)sc1-c1cccc(Cl)c1	726521591	NLGZUPSVJLUMDZ-UHFFFAOYSA-N	366.870	4.546	50	20	FJGD	
O=C(NNc1c(F)cccc1F)N[C@@H](Cc1ccccc1)c1cccs1	735758070	KBLQDAHJXRQUHK-INIZCTEOSA-N	373.428	4.636	50	20	FJGD	
Cc1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ncn1	752975827	CGXLVGGVRKVADK-UHFFFAOYSA-N	368.331	4.764	50	20	FJGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	761591829	WVUCMYWNNXUREX-GFCCVEGCSA-N	368.355	4.519	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1ccc(Cl)cc1Cl	767718628	WDFZDLAUQIAHAL-YCRREMRBSA-N	371.145	4.956	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)CCCCCO[C@H]1CCC[C@H](C)C1	771697425	QJEPUFHJYYIPIV-RDJZCZTQSA-N	350.478	4.733	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC	774559456	SBAYQRSHUDZQBO-GZTJUZNOSA-N	352.390	4.765	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc2ccccc2n1CC(F)(F)F	787903736	PYDIYXCWRNCEQH-UHFFFAOYSA-N	367.758	4.614	50	20	FJGD	
O=C(NN=C1CCC12CCCC2)c1ccc(Br)cc1Cl	788714342	XSKSCXXHNOYWRL-UHFFFAOYSA-N	355.663	4.543	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)c1ccc(OC(F)F)cc1	789148025	MFPHXBHQKSEZFF-XYOKQWHBSA-N	372.352	4.794	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(OCC4CC4)cc3)n2)cc1	790101302	WCGABUVKWSUKCH-UNOMPAQXSA-N	357.413	4.898	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1scnc1C1CCCC1	791721976	FRBDBTDJCDBORG-UHFFFAOYSA-N	356.278	4.864	50	20	FJGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1cc(Cl)cc(Cl)c1	791726634	LMRNAMCHKRYEBT-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Cc1ccc([C@H](NC(=O)NNc2c(C)cc(C)cc2C)c2ccccn2)cc1	792295623	XAPLBCVUIIJZQG-QFIPXVFZSA-N	374.488	4.731	50	20	FJGD	
O=C(NNc1ccccc1F)c1[nH]ccc1-c1c(Cl)cccc1Cl	799704782	KCDAUJWLHHDLEI-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812244849	JIMKKUWGRYFJTR-RVDMUPIBSA-N	373.416	4.537	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1C[C@H]1c1ccc(F)cc1F	863391155	HKIPSXZCEZSOAN-DUVNUKRYSA-N	357.491	4.651	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1	913188310	NQASDCPMPHOSEH-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(C)c1	915989198	CCSBXXDGXIWVKT-GDNBJRDFSA-N	369.262	4.920	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)C(=O)c1cc2ccccc2o1	917039573	JHHLPVWRYXUHHQ-VGOFMYFVSA-N	365.772	4.647	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	1116000287	IDVFSUVZPHGKGH-XNTDXEJSSA-N	363.394	4.805	50	20	FJGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	179026864	KVIRAFVCGZGYHF-PKNBQFBNSA-N	362.212	4.800	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1	212177986	SJSZFCYSQZLCNG-RGEXLXHISA-N	358.445	4.955	50	20	FJGD	
N#C/C(=C/c1cc(O)ccc1Br)C(=O)c1cc2ccccc2o1	254991366	ISBJOCOWVAOVAT-QPEQYQDCSA-N	368.186	4.691	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1	726876396	RIEZMRRAPGFNDN-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
O=C(/C=C\c1cccc(OC2CCCC2)c1)NNc1cccc(Cl)c1	727677835	USBSRHVHJDCRDK-QXMHVHEDSA-N	356.853	4.818	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1	730578885	STFGYEPZUMBKPO-LCYFTJDESA-N	360.207	4.568	50	20	FJGD	
CCC/C=C\C(=O)NNc1c(Cl)cc(Br)cc1Cl	742133141	KKOOPFKNYMGSKI-PLNGDYQASA-N	352.059	4.555	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1)c1ccc(Br)cc1	749270913	DDZAIAJUGUHZBA-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3cc(Br)cc(C)c3o2)c1	768303388	PTRCFNLTWRAUCG-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
Cc1cnc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)o1	770923242	BKZUDIFNWXDWBG-AEUYPJEVSA-N	369.465	4.659	50	20	FJGD	
Cc1cccc([C@H]2CCCN2C(=O)[C@@H](Br)C(C)(C)C)c1C	781093379	HMKVDEMJZDZQHU-HZPDHXFCSA-N	352.316	4.777	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)c1	782447320	SLJHIFSOMITOJV-CLXYIWAZSA-N	374.396	4.562	50	20	FJGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C/C2CC2)oc1-c1ccc(Cl)cc1	786675320	IAEURPVWPCUJRF-KMHUVPDISA-N	356.809	4.768	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	791738922	BDKOQIPHQHTNTI-QQJLWGBUSA-N	357.256	4.745	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)c1C	794870307	SUNDFLXUNXMEMD-OQLLNIDSSA-N	372.371	4.536	50	20	FJGD	
O=C(Cc1ccc(Cl)s1)NNc1c(Cl)cc(F)cc1Cl	800931104	IYGMDMNCAJSTSN-UHFFFAOYSA-N	353.633	4.533	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(C)c1OC	806553976	FRDYAFLHDVOKMN-XNTDXEJSSA-N	370.836	4.520	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nc2ccccc2cc1Cl	810465708	RNWTVHAQCGMROD-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
NCCCCCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	843042392	TVYJMYMZXZESSX-UHFFFAOYSA-N	361.380	4.985	50	20	FJGD	
C[C@]1(CN[C@H](c2cccnc2)c2cc3ccccc3o2)C[C@H]1Br	857081589	HBAUUWZQHPYEQC-GUDVDZBRSA-N	371.278	4.680	50	20	FJGD	
C[C@]1(CNC(=O)c2c(Cl)ccc(Cl)c2Cl)C[C@H]1Br	857690579	WBSPYTQYMAQHLG-PRHODGIISA-N	371.489	4.550	50	20	FJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2ccccc2)n1	868057623	OHAJHYKRECFILJ-UHFFFAOYSA-N	355.488	4.501	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1	916548849	GOWDKNNDUSPFBI-UHFFFAOYSA-N	371.893	4.766	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)cc1	920065005	QGYBNMVOAVBOBS-VQCBNXJZSA-N	350.466	4.766	50	20	FJGD	
O=C(O)C[C@@H](CNCc1cccc(S(F)(F)(F)(F)F)c1)C(F)F	1262163248	MBXADPFFVBYZPK-VIFPVBQESA-N	369.302	4.790	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3nc4cc(F)ccc4s3)cc2)cn1	1321228154	FABBLVXXKWFPBP-OVCLIPMQSA-N	360.417	4.900	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(Br)c2)c(C)c1	33471978	GUYSIIMFXZLRBJ-SXGWCWSVSA-N	369.262	4.920	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)c(SC)cc1OC	78052814	ZEXMVSCPAMKLOQ-QPEQYQDCSA-N	359.472	4.586	50	20	FJGD	
Cc1cc(NNC(=O)c2occc2-c2ccccc2)ccc1Br	114889497	ZGSLDBVUBAEUKY-UHFFFAOYSA-N	371.234	4.774	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)c2nc3ccccc3[nH]2)c1Cl	115961852	ABJUTJOFGOHHMZ-KAMYIIQDSA-N	359.820	4.681	50	20	FJGD	
CC(C)c1c(C(=O)NNc2cccc(F)c2)cnn1-c1cccc(Cl)c1	154093126	CCABLQBAGNLWHJ-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	588515664	OYGOQQJMXVPRMN-ZAVKOYKVSA-N	371.440	4.534	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743336221	FHRIQFBQBYZJJA-OLZOCXBDSA-N	357.187	4.518	50	20	FJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(Br)cc1F	748173964	PQNPMJCCWWLSEJ-UHFFFAOYSA-N	365.246	4.643	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	750797328	ZFGSQSDZOISBDJ-ZVMFBBOGSA-N	360.791	4.556	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cccnc3Cl)c(F)c2)cc1C	754488037	PEADCAYUKSMWHR-UHFFFAOYSA-N	369.827	4.915	50	20	FJGD	
CC(C)(CCCCCl)c1nc(O)c2c3c(sc2n1)CSCC3	766290322	VOXICPOIRNMNCE-UHFFFAOYSA-N	356.944	4.873	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cccc(COc2cccc(F)c2)c1	771706847	KYEKDROCFHCOBM-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F)c1ccccc1	771838674	AFFDSABGJFMWDX-CDCQXCROSA-N	362.326	4.629	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1F	773148170	ITWFDMRPNRGGNK-WUXMJOGZSA-N	367.273	4.782	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1c1ccccc1Cl	781079410	JBKCMJFXXPMNOF-ZIAGYGMSSA-N	358.707	4.813	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)ccc1OC	783687720	LQCQABQKKLXJOP-LCYFTJDESA-N	361.850	4.989	50	20	FJGD	
COC[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	787656588	BPJFWLVNNCTNNO-JKSUJKDBSA-N	373.971	4.858	50	20	FJGD	
O=C(NNc1cnccn1)Nc1ccc(Cl)cc1-c1ccccc1Cl	788696102	NXHYFEYPPQGKDC-UHFFFAOYSA-N	374.231	4.599	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)o1	791739790	UYKVLJJTXIOUAZ-UHFFFAOYSA-N	353.127	4.671	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ncccc2F)c(C)n1CC(C)C	791788306	CWAMNNINLBPULL-VHWUNXFSSA-N	369.440	4.506	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2csc3ccccc23)cc1	795356053	ABVFOARSDSQZCS-YBEGLDIGSA-N	361.422	4.543	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]2C[C@H]21	796032424	KJLRBBWDTXCGCE-BXKDBHETSA-N	363.373	4.517	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(C(C)C)oc1C	803100950	SCRXQBZCLCMFGP-UHFFFAOYSA-N	365.271	4.793	50	20	FJGD	
O=C(NNc1cccc(F)n1)c1ccc(Sc2ccc(Cl)cc2)cc1	804769774	NMOVDHKGUYIYCL-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
CSc1cc(/C(C#N)=C/C(C)=C/c2ccccc2OC(F)F)ncn1	811691452	OVCQVHVAMRBZQM-BKKXBQFWSA-N	359.401	4.810	50	20	FJGD	
Cc1sc(C(=O)NNc2cccc(Cl)n2)cc1-c1ccc(F)cc1	817004625	KAQSDYMAJNBENT-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)Cc1cccc2ccccc12	839425560	JGWIXBCFKNBZTI-UHFFFAOYSA-N	356.425	4.841	50	20	FJGD	
O=C(NN=Cc1ccccc1Br)c1ccc(Cl)cc1Cl	916360382	SOJCCSCCJDWJBL-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	917515800	ASWVQQURKYHLDL-NTUHNPAUSA-N	361.228	4.938	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc(Cl)c1OC	918713671	MGNLLXCURHPDPC-PXNMLYILSA-N	355.821	4.764	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(C)s2)c1C	919701928	VXHCJZLLQIXORU-LZNAANCOSA-N	355.507	4.669	50	20	FJGD	
CC1(C)CCc2cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)ccc2O1	920240946	IERNBJLFIGDFBR-VBKFSLOCSA-N	366.848	4.989	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2c(F)ccc3sc(C(=O)O)cc23)sc1C	1777489211	AQGSFPBKBZDALG-BJMVGYQFSA-N	358.419	4.876	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	60529146	BLBDQUYLVDIXHV-JXMROGBWSA-N	363.248	4.560	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1	108861161	ZDVLHZONMCDKPZ-ZHZULCJRSA-N	355.459	4.512	50	20	FJGD	
C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	120003716	OUOBCJSCWYQPMF-JOYOIKCWSA-N	365.808	4.672	50	20	FJGD	
CC(C)c1c(C(=O)NNc2ccc(Cl)cc2)cnn1-c1ccc(F)cc1	120160580	NHGIDMXPEDQOJB-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
Cc1ccc(NNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1	123128742	CJTVCAALMPLAOF-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1OC(=O)C1CC1	176916927	SFUREKATTASEQZ-OVCLIPMQSA-N	368.458	4.655	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1	177891888	BRIDNKWHYRURRC-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
Cc1cccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)n1	181318211	QQELLEIGEQEANV-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)s1	182258000	XGRIZFOMYRQUFU-DHZHZOJOSA-N	362.401	4.832	50	20	FJGD	
CC(C)(CCO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184412415	LRSRUQUPPMABJO-UHFFFAOYSA-N	362.364	4.874	50	20	FJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	194568867	DINZLPPOIKNIFR-BRYHAGSVSA-N	366.486	4.677	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NNc2ccccc2F)cc1OC	748050201	NCPHVHQGEADXCM-UHFFFAOYSA-N	360.429	4.550	50	20	FJGD	
Cc1ccccc1C1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	767984779	YBOGKWKTVFUUMU-MRXNPFEDSA-N	352.316	4.511	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc(Cl)c1Cl	775428958	RZFRKJDWMZSHHT-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
N#C/C(=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)C1CCCC1	781554242	JMJCQDLSAWEGJP-PTNGSMBKSA-N	359.351	4.557	50	20	FJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)c1nc(C(C)C)cs1	794703322	UNDFBFBXQHTJCU-MDWZMJQESA-N	369.881	4.873	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(C2CCCCC2)n1	812246743	TUEBSKBRXPUHBT-NTEUORMPSA-N	360.383	4.946	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	815853528	OZBBSYURMHKLLZ-UHFFFAOYSA-N	351.372	4.543	50	20	FJGD	
N[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841178416	DPXJLBZKBLQKRL-MWLCHTKSSA-N	359.364	4.735	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccc(F)cc2s1	921232461	MCHHKCAGRMSHTA-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ccccc2F)c1	1116347749	YEZBBVUXLUEQHS-UHFFFAOYSA-N	357.816	4.644	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2ccccc2s1	190216563	AUELTLBYKKKRSZ-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	212141079	JFYSOUHOXYKCRG-ZHZULCJRSA-N	368.392	4.597	50	20	FJGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)C(=O)c1ccc(F)c(Cl)c1	588599134	QBQDXSRVFRZUIH-NTEUORMPSA-N	351.768	4.659	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1[nH]c2ccccc2c1Cl	728716683	KEDXRWSSWYYRFV-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(F)cc2Br)s1	748076721	LLZHZOPLMXFOIB-UHFFFAOYSA-N	371.275	4.704	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cn(Cc2ccccc2)c2ccccc12	748549890	SYGDUZWFVXXFRK-UHFFFAOYSA-N	373.431	4.894	50	20	FJGD	
O=C(Nc1ccc([N+](=O)[O-])cc1F)NN(c1ccccc1)c1ccccc1	758336119	RDCPGENXPTYTGT-UHFFFAOYSA-N	366.352	4.609	50	20	FJGD	
CC(CC1CCC1)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	758359999	SWXWQIVBNZNKBX-UHFFFAOYSA-N	366.490	4.691	50	20	FJGD	
CSc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)ccc1F	767148360	QXHMFMONRQGWKQ-UHFFFAOYSA-N	361.829	4.506	50	20	FJGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccccc1OC(F)(F)F	779201885	QEKUBZIJTDKEFT-ZDUSSCGKSA-N	352.356	4.531	50	20	FJGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3ccc(C(C)(C)C)cc3)c12	783700601	IMFQQPLCTUBJJZ-UHFFFAOYSA-N	365.477	4.550	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1)c1ccccc1	787145087	OUZLBWNKCKJACX-CIPTZOQDSA-N	367.452	4.923	50	20	FJGD	
Cc1cccnc1NNC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1	791216430	UCKRFXFDDMXMRF-PKNBQFBNSA-N	369.877	4.928	50	20	FJGD	
O=C(NC[C@H]1CCCCN1)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178454	GAVUSAVXGCGNPY-LLVKDONJSA-N	359.364	4.608	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccccc1-c1ccccc1	917543249	KYMQZIIOLINFGJ-UHFFFAOYSA-N	364.832	4.780	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)c1cccc(F)c1	1116817180	QDKLSRLCPSJQSS-LFIBNONCSA-N	361.328	4.574	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1nc(N)c2ccccc2n1	1337322432	FSABFALSDBUWLY-KAMYIIQDSA-N	356.360	4.675	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	1776384151	REXJXQKSQLHMJE-CXUHLZMHSA-N	370.412	4.861	50	20	FJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)CC)cc2)CCC1	1791262674	ILYGAQZLPIRFOG-MRXNPFEDSA-N	364.917	4.574	50	20	FJGD	
N#CC(C#N)=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	8198629	QFXLPDWMMXFZFL-UHFFFAOYSA-N	350.381	4.775	50	20	FJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(Cl)ccc12	53107297	BITSDWDTSAMIQA-XCVCLJGOSA-N	357.778	4.581	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1Oc1cccnc1	103276847	GOAUOHOPFOLUEW-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2c(s1)CCCCC2	104714822	ICQQXSMJYRRNAE-UHFFFAOYSA-N	354.397	4.793	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1)c1ccccc1	128687196	WUGGBKPFTNJZTK-SWEABUAFSA-N	351.475	4.585	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	154644776	GOLOJLORLBJEHV-HZPDHXFCSA-N	367.449	4.629	50	20	FJGD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192255373	ZIKQMQUYGLYTQP-MNOVXSKESA-N	360.348	4.625	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)Nc1ccccc1C(F)(F)F	195225923	GXCKREVKWNVHHV-UITAMQMPSA-N	356.756	4.966	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2ccccc2)C2CC2)c1C	207016086	VFPDTQUYMZSHHN-ZPWPBLDLSA-N	361.489	4.689	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3[nH]ccc23)c1C	726947499	MSPZAZQSQZZTHD-AQTBWJFISA-N	360.461	4.932	50	20	FJGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNc1ccc(F)c(F)c1F	728716059	PCDSTFRTGCBBSA-QGZVFWFLSA-N	368.424	4.505	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cnccc3C)c2C)cc1	729404667	LIRXESCGHWIPEM-UDWIEESQSA-N	370.456	4.652	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1sccc1C1CC1	733808151	SUOJMTHGJCQYBR-UHFFFAOYSA-N	371.687	4.798	50	20	FJGD	
CC[C@](C)(NC(=O)CCCC[C@@H]1CCSS1)c1nc(C)cs1	741715503	ZOHZJZOWCREKCY-CJNGLKHVSA-N	358.598	4.907	50	20	FJGD	
COc1sc(/C=C(\C#N)c2nc(C)c(C)s2)cc1Br	746520085	JTBAFEQNXWIISY-RUDMXATFSA-N	355.282	4.657	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccccc1OCC1CC1	752812805	MPXDSPQJDMCYDG-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
C[C@@H](CBr)COC(=O)c1csc(-c2ccccc2Cl)n1	770372565	WDCFQLBNVXAEJM-VIFPVBQESA-N	374.687	4.651	50	20	FJGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	773144800	MPPOUCQCLYNALT-WJDWOHSUSA-N	353.780	4.671	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1	775419511	HFYPLMNEPJZFSJ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c1	775638748	HDUVFJUFMFVVAH-GDNBJRDFSA-N	357.356	4.865	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(Cl)cs1	782167712	YRXVHTQIDICUTA-UHFFFAOYSA-N	361.879	4.597	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(F)c1)c1ccccc1	787145334	PUWLHDUFVNRDAB-IUYQLWOBSA-N	374.362	4.602	50	20	FJGD	
COc1ccc2[nH]c(NC(=O)CCCC[C@@H]3CCSS3)cc2c1	788172671	LNIIHFPGQGAHLA-CQSZACIVSA-N	350.509	4.829	50	20	FJGD	
C=C(CBr)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1	791487077	UNJQGQSPKHYFOU-QGZVFWFLSA-N	365.702	4.560	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccnn3-c3ccccc3C)n2)cc1	794872664	LHLPYTWIZXSGQI-AQTBWJFISA-N	367.412	4.603	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccoc1	798229519	DQBUPQPSULMFAD-LFIBNONCSA-N	371.421	4.984	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCN(CCc1ccccn1)Cc1cccnc1	808756542	ONBYNZUCOWWQQP-UHFFFAOYSA-N	371.601	4.543	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)c1cc2ccccc2o1	811627304	XEQGCXXDEZLULQ-WLRTZDKTSA-N	357.287	4.947	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(-c2cccs2)s1	1324169942	GYUJWBRPTDSSRH-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(COc2ccc(OC)cc2)n1	101799949	ZPORAQMAYXUHTI-GDNBJRDFSA-N	370.474	4.643	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(F)(F)F	131062319	JBBJMOAWZGLOLA-JYRVWZFOSA-N	373.334	4.577	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccccc1C(F)(F)F	139920133	SNTVJFPOPDZBLP-UHFFFAOYSA-N	357.401	4.525	50	20	FJGD	
Cc1ccc(F)c(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1	734981093	NYATUDBLKVDXDM-NTUHNPAUSA-N	370.232	4.779	50	20	FJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1nc(-c2ccncc2)cs1	744857193	IJCNKHZTYJCYQP-DARJFKRNSA-N	372.453	4.697	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3cccc([N+](=O)[O-])c3)c(Cl)c12	748004668	PDNWKZZUMRPHAT-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc2c(C)c(C)[nH]c12	748741329	ZIYNWPWVGFKHTP-UHFFFAOYSA-N	372.266	4.613	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(C(F)F)c1	753177943	QSTGWSGXKMMPCC-UHFFFAOYSA-N	369.209	4.706	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1ccc(OC(F)F)cc1	754280574	HZEJIPMSNQHYNO-KGLIPLIRSA-N	360.404	4.721	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1OC(F)F	764890874	DPXGIPYMKBGQLP-WJDWOHSUSA-N	357.356	4.785	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccsc1)c1ccc(Cl)cc1Cl	787148577	VURRGCGIUKDQLH-GWHHBTOMSA-N	351.258	4.839	50	20	FJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	790099182	ISXKUNRCZKXASX-CXUHLZMHSA-N	360.388	4.886	50	20	FJGD	
Cc1oc(C#N)cc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	798212079	WORWRGPGYCHUSG-AWEZNQCLSA-N	374.771	4.931	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)c1cnc2ccccc2n1	799892344	LCMXPNAWWJFHPG-YFHOEESVSA-N	372.172	4.735	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3nc4cc(F)ccc4s3)s2)cn1	800790914	BDLUDJFCOIPALC-WDZFZDKYSA-N	366.446	4.962	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H]2C[C@H]2C1	854264973	FMJZVRBOOMYHCP-NRUUGDAUSA-N	364.820	4.780	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)oc12	915845774	XJRFDHKGXCBDTL-RAXLEYEMSA-N	352.777	4.640	50	20	FJGD	
O=S(=O)(NC/C=C\C1CC1)c1ccc(S(F)(F)(F)(F)F)cc1	1347644211	WQGLZSBVFQRTBE-UPHRSURJSA-N	363.373	4.589	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	6628465	MYBQWVUTMFUAQB-YBFXNURJSA-N	370.456	4.856	50	20	FJGD	
N#CC(=C\c1cc(Cl)ccc1OC(F)F)/C(O)=N/c1nccs1	44024250	BEFAMIHNPXBGFI-WEVVVXLNSA-N	355.753	4.593	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	104827274	NZQTZFKZEJTQOP-LLVKDONJSA-N	355.850	4.662	50	20	FJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C(F)F	181136444	QNUFDHCOUJHLKE-UHFFFAOYSA-N	364.440	4.531	50	20	FJGD	
CC(=O)N1CCC[C@H](C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	191946142	QIPNAHCBLMDVPH-NSHDSACASA-N	372.359	4.541	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(Cl)cc1	729275428	JPJXNOIPQIAMDD-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CC(C)(C(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	731152703	QCCNAVLQCHHRTE-UHFFFAOYSA-N	368.786	4.787	50	20	FJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1nccc2sccc12	734249584	BIAFTHRBFHRANU-UHFFFAOYSA-N	374.469	4.821	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2ccccc2)nc2ccccc12	743818875	QPBUSGWNCXHNFQ-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2cc(Cl)ccc2Cl)c1	752812647	IRHDVFBKSVIDGK-UHFFFAOYSA-N	364.276	4.659	50	20	FJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1cccnc1Cl	754477684	BCQJNVHYCNPEKV-UHFFFAOYSA-N	358.656	4.508	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cnc(-c2ccccc2)s1	763625081	VAESZIQXAPLLMM-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773601166	FCLOZTJNSYKUFF-ONGXEEELSA-N	372.359	4.587	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(CCC(F)(F)F)cc1	775668115	ZFENOYWREGRENA-UHFFFAOYSA-N	357.763	4.984	50	20	FJGD	
Cc1cc(C)c(NNC(=O)CCCCC(=O)c2ccc(F)cc2)c(C)c1	779009819	BUNDARGGOVJZII-UHFFFAOYSA-N	356.441	4.637	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1c(C)noc1C1CC1	783869879	BJBFKXMYRIVQLK-UHFFFAOYSA-N	355.463	4.811	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)c2cccnc12)c1ccccc1	787141205	JYDIALBZMILCKI-MBGNVJMVSA-N	359.404	4.548	50	20	FJGD	
CC1(C)CN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	788560832	OTDKIYQVWAXEEU-NSHDSACASA-N	352.809	4.780	50	20	FJGD	
CCN(C(=O)NCCSSC)[C@@H](C)c1cccc(C(F)(F)F)c1	790877528	DIMJINGRHNPXHJ-NSHDSACASA-N	366.474	4.809	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1	794884280	OMCRMRIFDCSRHQ-FNNTWHHHSA-N	374.484	4.616	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)[C@@H](Sc1ccccc1)c1ccccc1	808247665	KAXVXJIEFLLWHO-INIZCTEOSA-N	354.302	4.782	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12	819843559	PHQRYADRVKEWFE-UHFFFAOYSA-N	357.668	4.641	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCc3sccc3[C@H]2C)c1C	824620510	RSJLHPCDIYQTKT-YAJBTMAUSA-N	367.518	4.629	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@@H](F)C1	846703410	JODNITAYFAMNOM-SKDRFNHKSA-N	370.799	4.872	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc(C)c1OC(F)F	915849392	XFWAQGDAVKIMNL-GDNBJRDFSA-N	353.372	4.856	50	20	FJGD	
CCc1ccc(-c2nc(CC(=O)NNc3ccccc3Cl)cs2)cc1	917510286	KNKHUBMKYYXETF-UHFFFAOYSA-N	371.893	4.712	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)c1ccc(O)c(Cl)c1	1318615845	INAFDNLMJFONHY-UHFFFAOYSA-N	356.834	4.538	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)OCCO4)n2)cc1	17474837	HKANUUUQWCBWSS-LICLKQGHSA-N	360.438	4.954	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1)c1ccccc1	66405792	PNIGGUVKMUOYSK-WPBJZHHJSA-N	365.483	4.656	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2c(ccn2CC(C)C)c1	74248839	FMGQWPTYQLKHPG-UHFFFAOYSA-N	372.900	4.602	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	172691063	XTURIYHYMJXHJH-XDJHFCHBSA-N	370.456	4.744	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1	213014031	PEOJFJWKFFBJGK-BOPFTXTBSA-N	353.805	4.555	50	20	FJGD	
CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	365172499	WVZPZAHIPQSAQE-AWEZNQCLSA-N	372.359	4.541	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cn(C)nc2-c2ccc(C#N)cc2)n1	588394161	LAQZDWHFWFCDLB-PXNMLYILSA-N	359.458	4.603	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cn2)c(C)n1C1CCCCC1	728475811	ICMWKFBQQGNQRZ-BOPFTXTBSA-N	366.440	4.690	50	20	FJGD	
C[C@H](Sc1ccc2ccccc2n1)C(=O)C(C#N)=C1Nc2ccccc2N1	728862732	ILMOWUGVODJUSB-ZDUSSCGKSA-N	372.453	4.557	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@@H](SC)C2)c1C	735264392	LBRZURIVGJFEAB-WJZSJHQNSA-N	373.566	4.602	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3ccc(Cl)s3)on2)c(C)c1	743764312	LNUAHBKTGQKFSZ-UHFFFAOYSA-N	361.854	4.739	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1	743765552	VRVJXJCNPMJOQR-UHFFFAOYSA-N	369.852	4.986	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F	747604775	DIIAMDRWQLIEOG-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
COc1ccccc1/C(C)=C\C(=O)NNc1cc(Cl)ccc1Cl	752813191	RCQCDMBSSSDDSK-LUAWRHEFSA-N	351.233	4.549	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)nc2)cc1	758416424	RAZPUXPVASHXBH-HMMYKYKNSA-N	374.488	4.570	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc2ccccc2cc1OC(F)F	762002930	HPJXGLISVPRJOA-UHFFFAOYSA-N	362.763	4.852	50	20	FJGD	
Cc1ccc(-c2csc3nc([C@@H](C)Br)nc(O)c23)s1	767356882	CSQCDFHQCKTHFX-SSDOTTSWSA-N	355.282	4.890	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F	773150843	PMGWFLRNBQWZCB-WIMOKQHYSA-N	356.740	4.733	50	20	FJGD	
CN(Cc1ccccc1-c1ccccc1)C(=O)/C(C#N)=C/c1ccc(O)cc1	787292173	ZPFVJOCESOJJOG-RCCKNPSSSA-N	368.436	4.625	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2cc(Cl)ccn12)c1ccc([N+](=O)[O-])cc1	794689361	BBXQHINGYKXXRT-YRNVUSSQSA-N	359.172	4.613	50	20	FJGD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NNc1ccc(C(C)(C)C)cc1	798990779	NNBIPAFGUULRLA-UHFFFAOYSA-N	364.493	4.572	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	800623615	ZMQGJLBOQJZDNK-ZACQAIPSSA-N	362.311	4.643	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@@H]2C[C@@H]21	806184201	VOPDIDSVMUDNKV-CDMKHQONSA-N	364.820	4.922	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)c1cc2ccccc2o1	811627303	XEQGCXXDEZLULQ-ACAGNQJTSA-N	357.287	4.947	50	20	FJGD	
CC(C)OCCONC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	812960371	MIKZRTNTEKMSMY-UHFFFAOYSA-N	364.336	4.822	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H](C)CN1	841179279	MUOKXVNSBZOTJE-UWVGGRQHSA-N	359.364	4.558	50	20	FJGD	
C#CC[C@@H](CCOC)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	860935271	KQRNGFJYRWBZEV-NSHDSACASA-N	372.359	4.894	50	20	FJGD	
O=C(NN=Cc1ccc[nH]1)c1cc(-c2ccccc2Cl)nc2ccccc12	915921084	USJRUGSYOOSJMQ-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1cc2ccccc2o1	916359665	IVJSFGKSPXYJPL-UHFFFAOYSA-N	374.396	4.759	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1nc(-c2ccccc2)oc1C1CC1	1326234104	HBIPHIJEFDJLFA-UHFFFAOYSA-N	370.412	4.524	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OC(F)F)c(C)c1	7159730	DCZOPQXVMAVPTQ-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c2ccccc21	22353250	KDHPLSRLYRRLOD-FOWTUZBSSA-N	364.408	4.826	50	20	FJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	23217490	UKUCBWGNAHQYGH-NTEUORMPSA-N	369.808	4.917	50	20	FJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	171349772	RJLHQMUCJNTGHP-DHZHZOJOSA-N	365.792	4.595	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C#N	173017690	BNRYBWRIQCPXPI-GIJQJNRQSA-N	368.421	4.626	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2cc(F)ccc2s1	178033323	INBGCPMIJKPKDY-UHFFFAOYSA-N	370.327	4.696	50	20	FJGD	
Cc1nc(-c2cccc(C(=O)NNc3nc4ccccc4cc3C)c2)cs1	181278136	DBCBAFNWZLZFPV-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1cccc(C(F)F)c1	188826603	XFCOIWAFAXUXMJ-UHFFFAOYSA-N	361.270	4.671	50	20	FJGD	
CC(=O)N1CC[C@@](C)(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	368140138	YXKZMYUWIDGMNJ-CQSZACIVSA-N	372.359	4.541	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(Oc2cccnc2)c(C)c1	732714884	ZOOFJMPGIWGSLP-XMHGGMMESA-N	363.461	4.786	50	20	FJGD	
O=C(CCCc1ccccc1)NN[C@@H](Cc1ccccc1)c1ccccc1	732919305	ANQZSIUXQMSZCY-QHCPKHFHSA-N	358.485	4.614	50	20	FJGD	
CC[C@H](C)[C@@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	735114766	NVFSIUQJJJILPB-SUMWQHHRSA-N	361.283	4.722	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@@H](C2CC2)C1	737424033	ZCGKZQHUBWPSMO-MRXNPFEDSA-N	353.491	4.805	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(F)cc2)c1Cl	741473394	HRXWCUWLECBDIJ-YDRQLGOLSA-N	373.859	4.945	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(-c3ccccc3)ccc2Cl)cc1	746883286	NIDRTQJMJPOWKN-UHFFFAOYSA-N	352.821	4.773	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnc4cccc(C)n34)n2)cc1	748996890	BWCODGIGTPISEQ-YBEGLDIGSA-N	372.453	4.839	50	20	FJGD	
Cc1ccc2cc(C(=O)NNc3c(Cl)cc(F)cc3Cl)ccc2n1	768009645	RQHQWMULFPBJPF-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
C[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)c2c(O)cccc21	768663543	HWINEFYSYZLMSQ-UONOGXRCSA-N	351.537	4.947	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1c(Cl)cccc1Cl	777872848	YYXWRWRZEBDMGL-POHAHGRESA-N	365.147	4.831	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc3ccccc3s2)cc1	787153645	FYUSDZJIPXLXJF-IQGJIOQQSA-N	362.454	4.694	50	20	FJGD	
COCCCC[C@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	792285231	ZFYQTTOUXZHOFM-KRWDZBQOSA-N	361.873	4.524	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc(Cl)ccc1OC1CCCC1	792633773	QHCHKCPTNJBLBV-SFQUDFHCSA-N	367.898	4.741	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccc(Cl)s2)on1	799754589	AGBSEJHGKLUCBJ-UHFFFAOYSA-N	361.854	4.684	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3cnn(C)c3)s2)cc1	800791679	TVNBCLJPBRYXSH-BOPFTXTBSA-N	361.470	4.891	50	20	FJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(C)C)cc1	837052873	MEBLOEVGAQNNKA-UHFFFAOYSA-N	373.478	4.977	50	20	FJGD	
C[C@@H](c1cccs1)N(C)CCP(=O)(c1ccccc1)c1ccccc1	917075698	SYAJFJLZUZXKBL-SFHVURJKSA-N	369.470	4.755	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1ccc(Cl)cc1	918014288	WTGKRWFJHFLKHR-UHFFFAOYSA-N	356.775	4.780	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3cccc4ncccc34)o2)cc1	1261427616	GDPXLXBVEPCPPK-SSZFMOIBSA-N	368.396	4.748	50	20	FJGD	
c1ccc(-n2cc(-c3nnc(CCCC[C@@H]4CCSS4)o3)cn2)cc1	1331887831	CTKMTKPBJIYHHZ-MRXNPFEDSA-N	372.519	4.789	50	20	FJGD	
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(CCl)c2)c1	1336349397	SBMGGIYHJRPUAM-XMMPIXPASA-N	363.910	4.725	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)cc1	1776697773	SBYUTWVLCCAJHI-RKPNYOAGSA-N	366.392	4.583	50	20	FJGD	
O=C(NNc1ccccc1)c1oc2ccccc2c1COc1ccccc1	78225344	LWZCGIQIPGYDBJ-UHFFFAOYSA-N	358.397	4.769	50	20	FJGD	
Cc1cc(NNC(=O)c2cc(C)n(C(C)C)c2C)ccc1Br	114889163	SGQLDWHARSJQPY-UHFFFAOYSA-N	364.287	4.514	50	20	FJGD	
Cc1n[nH]cc1NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	120062781	IUKBAEURZRIHRA-NSHDSACASA-N	364.780	4.581	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(-c2ccccn2)ccc1Cl	123649571	ZVWTUIRJWQNLIJ-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(-c2ccccc2F)on1	133405094	FRQHIZLOHKMHBH-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1	171417799	SSKIVIQJRRWFNP-WOJGMQOQSA-N	356.429	4.548	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc2noc(-c3ccc(F)cc3)c2c1	178835031	WJTOTYVZWYSSLN-UHFFFAOYSA-N	365.339	4.530	50	20	FJGD	
COc1ccc(C(=O)CCCCCC(=O)NNc2cc(C)ccc2C)cc1	190820795	RZLFOSBWAPGNSL-UHFFFAOYSA-N	368.477	4.589	50	20	FJGD	
CCn1nc(C)c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	293540859	QHXITWMCXJXHJK-UHFFFAOYSA-N	356.320	4.516	50	20	FJGD	
CC(C)C1CCC(=NNC(=O)c2ccc(COc3ccccc3)o2)CC1	729636122	DUHJLJIHJHKBSH-UHFFFAOYSA-N	354.450	4.791	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc3c2OC(C)(C)C3)c(C)c1	737444524	SKDLTYQHMVDYEQ-ODLFYWEKSA-N	360.457	4.871	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(OCC(F)F)cc1	741853333	WWOTYHDCFHOOTN-GDNBJRDFSA-N	366.367	4.910	50	20	FJGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ncc(-c2ccccc2)o1	746769754	PKPQHINOOKOVMF-NSHDSACASA-N	374.803	4.521	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(C(F)(F)F)ccc2Br)cc1	749194408	UNUOUZLPLLLRIX-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)c3ccoc3)c2Cl)cc1	752886236	IQAAWNUAUICRGB-RQZCQDPDSA-N	365.820	4.585	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1[N+](=O)[O-]	752890088	QIUKJDHXZHTTDH-GZTJUZNOSA-N	373.368	4.746	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(F)ccc2Br)c(C)c1	761178162	ZCQQZFOXIQLPIX-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
O=C(NN=Cc1cc(F)ccc1Br)c1ccc2ccccc2c1	761260994	JGIGRYUXPBSAJQ-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
O=C(NN=Cc1c(Cl)oc2ccccc12)c1ccc(Cl)cc1F	761266237	DTPSOKKWIXOKNG-UHFFFAOYSA-N	351.164	4.643	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)Nc1ccc(F)c(Cl)c1	761477603	MTNPDWLVSUAEJN-UITAMQMPSA-N	370.598	4.727	50	20	FJGD	
C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762655033	KRTOHDZNQDMHTC-JOYOIKCWSA-N	372.359	4.587	50	20	FJGD	
CC(C)[C@@H](CCO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762967524	CMCUQNAZFPJSDZ-GFCCVEGCSA-N	362.364	4.873	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccccc1NCc1ccccc1	765004935	NPPOKDVFYJCRMJ-UHFFFAOYSA-N	351.837	4.709	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1	772240851	FGOIHTULKOKNJR-UHFFFAOYSA-N	350.393	4.992	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1)C1CCCCC1	772797884	QTQNZCUITZVKJN-QPEQYQDCSA-N	354.347	4.543	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c2c(c1)C[C@@H](C)O2	773161124	AUYGQCKQMPMDHD-MQOXYSQQSA-N	371.795	4.601	50	20	FJGD	
O=C(NOC1CCOCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	775776079	CWDLOTMMEAWDEO-UHFFFAOYSA-N	362.320	4.576	50	20	FJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)Nc1ccccc1C(F)(F)F	779800363	UTOPDAYOMJZYDD-YBEGLDIGSA-N	367.330	4.799	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)CSc1ccc(Cl)cc1	788701080	YLIOGCZNIMLAKZ-UHFFFAOYSA-N	367.301	4.798	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cn1	797787902	FUMMXZHRAFCERL-QGOAFFKASA-N	356.385	4.822	50	20	FJGD	
C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	799271998	UUIYDWUTLUQAAK-JTQLQIEISA-N	372.359	4.753	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1	808247659	JSEDSHIHBXHWLF-UHFFFAOYSA-N	355.092	4.677	50	20	FJGD	
Cc1sccc1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	814736414	QBRTVOBMBRRLJR-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC[C@@H]1CCSS1	849209110	ZWATXHRBEPQRNG-GOSISDBHSA-N	366.596	4.815	50	20	FJGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1OC	915078214	FDZZRQQWMGOWGL-ZBFHGGJFSA-N	353.553	4.977	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(CCc3ccccc3)o2)c(C)n1CC(C)C	1118071093	XKQALDBEUDJVRZ-FYJGNVAPSA-N	374.488	4.993	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)cc1	7167552	UTBIREYABLURQG-BRFSQIRFSA-N	364.445	4.763	50	20	FJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)Nc1nc2ccccc2nc1Cl	25888142	JSBPONYHGSFTOU-JLHYYAGUSA-N	374.787	4.575	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1OCCCC#N	64367513	VVCSZVWJIJBDJS-MOSHPQCFSA-N	374.440	4.785	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1scnc1C1CCCC1	183656991	YLZQGOISLJOSBF-UHFFFAOYSA-N	355.385	4.576	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2ccccc2OCc2cccnc2)ccc1[N+](=O)[O-]	255777725	SNMOBFWTPXMLOD-NDENLUEZSA-N	371.396	4.941	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1Cl	727264886	ZEYGDWMUHWVNGO-YBEGLDIGSA-N	353.805	4.703	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2Cl)c1C	728007229	GJBVBIUIYLLBOH-OQLLNIDSSA-N	359.832	4.853	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1	731932312	GTKOZEXFYNDFSB-CQSZACIVSA-N	366.795	4.585	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3occc3Br)c[nH]c2c1	735304029	DCVGSFYZNPQJNK-XFFZJAGNSA-N	355.191	4.622	50	20	FJGD	
CO[C@@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	742090658	IEYHPSCLWRDKOC-HOTGVXAUSA-N	373.971	4.858	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1cc(F)c(F)c(F)c1	752145713	AQQFNCMTCZKUCM-UHFFFAOYSA-N	370.783	4.658	50	20	FJGD	
Cc1ccnc(NNC(=O)c2sc3cccc(Cl)c3c2Cl)c1	755854348	QTAOBYMRHMDDBF-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNc1c(Cl)cccc1Cl	763613556	ZAKGGEBBGUDPBM-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
N#CC1=CCN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)CC1	767178454	SNSQKADVTVVWJP-SOFGYWHQSA-N	354.862	4.764	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(Br)c1)C(=O)c1ccsc1	775632478	YNQAFNHDXVKRNR-VZUCSPMQSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1c[nH]cc1-c1ccc(Cl)s1	777465373	LTUJJCWOXZQQAU-UHFFFAOYSA-N	368.849	4.702	50	20	FJGD	
Cc1cc(Cl)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1C	781348256	FEIWANMKRBTDQP-UHFFFAOYSA-N	367.758	4.604	50	20	FJGD	
Cc1c(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)sc2ccccc12	785365765	LZFZFOKKPYSOAG-LFIBNONCSA-N	361.422	4.543	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@H](C)c1c[nH]c2ccccc12	787497712	DFIGLXLIBYZAEK-AWEZNQCLSA-N	358.445	4.661	50	20	FJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C1CCC(F)(F)CC1	788702845	AVERGWAQDGFPKQ-LLVKDONJSA-N	354.466	4.804	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1Br)C(=O)c1cc(F)cc(F)c1	794875276	UBDOLSSACMQSDE-POHAHGRESA-N	366.136	4.656	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)sc2c1	794884765	LQQRGORCINUYRT-XNTDXEJSSA-N	371.421	4.643	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cc(Cl)ccc2OCC2CC2)ncn1	797405911	LDPPYNKEPBQMCD-MKMNVTDBSA-N	357.866	4.705	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1OCc1ccccc1	798230353	PUZGDUOBYAJCIF-ODLFYWEKSA-N	359.381	4.657	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1cccc(Cl)n1	817010823	SFPIBUOCPODLBB-LUAWRHEFSA-N	373.840	4.759	50	20	FJGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817914570	VAOXRHYFUXVONB-JLHYYAGUSA-N	362.376	4.643	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCC(C)(C#N)CC2)cc1	834925812	RQUQWFFKEINPCX-UHFFFAOYSA-N	355.482	4.835	50	20	FJGD	
Cc1[nH]ccc(=O)c1OCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	853727235	MDLKJQZUMALKHT-UHFFFAOYSA-N	359.542	4.784	50	20	FJGD	
COc1ccc2ccccc2c1C=NNC(=O)Cc1ccc2ccccc2c1	915976164	JBEPWWWXDOKTPP-UHFFFAOYSA-N	368.436	4.694	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccc4c(c3)OCO4)o2)cc1	915990523	VCXSWFLPIXYRCX-LICLKQGHSA-N	357.365	4.774	50	20	FJGD	
O=C(NN=Cc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2	916308472	JMNPYWQUGKAFJR-UHFFFAOYSA-N	351.277	4.660	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2OCC)c1C	916473779	OEIQKUJQDHKREX-GZTJUZNOSA-N	369.440	4.598	50	20	FJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1	1787658834	WQVCWTYVNVKDEL-INIZCTEOSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F	23216087	XQDXJOSIFIMKQH-FMIVXFBMSA-N	350.727	4.904	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	125169276	XLZWLDFRHGTXIU-WQRHYEAKSA-N	356.429	4.548	50	20	FJGD	
CC(C)c1c(C(=O)NNc2ccccc2Cl)cnn1-c1ccc(F)cc1	158229711	PXAHBSVTXCTAAJ-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)o1	255200390	IUXBPEGJFXHMMV-NTMALXAHSA-N	364.184	4.553	50	20	FJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)c1c(C)nn(CCCl)c1C	733917582	QDLVIHJZTVQXPX-UHFFFAOYSA-N	367.880	4.966	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@H]1C[C@H]1c1ccc2ccccc2c1	734250369	WOAVMIJKSLSMHG-ROUUACIJSA-N	359.454	4.696	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](Cc2ccc(F)cc2)C1	736586841	IOAONIQNFMJIIY-AEFFLSMTSA-N	367.555	4.931	50	20	FJGD	
CS[C@@H]1CC[C@H](NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	745894555	QXYNGPMAXYBGFX-DTWKUNHWSA-N	368.717	4.557	50	20	FJGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNc2cccc3cnccc23)c1	748763060	OZVRAEGXXPISLA-MRXNPFEDSA-N	363.461	4.577	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	749454160	ZBHKMEVIGMAXCK-MPMPPSQCSA-N	352.390	4.845	50	20	FJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccc(Br)cc1	756017868	MAOPQNSKKFOVJU-KHPPLWFESA-N	365.658	4.649	50	20	FJGD	
COc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	767055042	FILWPHVXOZWDKG-YBFXNURJSA-N	365.477	4.624	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(-c2ccccc2)n1	771520840	NVVSTTKJXHFKNJ-ZROIWOOFSA-N	360.417	4.900	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)c1cc(F)cc(F)c1	772176176	MNLFVRYGMZRNPL-LFYBBSHMSA-N	353.246	4.653	50	20	FJGD	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	786888876	KLBUCBLZFVZFOY-RKPNYOAGSA-N	374.362	4.538	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1OC(F)(F)F)C(=O)c1ccc(F)cc1	789129714	XSPCKCNNLVQLTL-DHZHZOJOSA-N	353.246	4.653	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc3occc3c2)cc1Cl	794686398	OMHDWIIGOZZENY-NTEUORMPSA-N	352.777	4.640	50	20	FJGD	
Cc1ccccc1-n1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)nn1	806572690	MYTGUHKCSPIKLU-YBEGLDIGSA-N	370.437	4.580	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NNc2ccccc2C)cc1OC	865523274	HBJWVXTYKCHUPF-UHFFFAOYSA-N	356.466	4.720	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)c1nc(-c2ccccc2)no1	913617452	BMXPQAMFXTWRTL-SDQBBNPISA-N	358.220	4.625	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccco2)c(C)n1CCC(C)C	914495580	BLGBWSRCVUYXLJ-RXWSAZGZSA-N	367.493	4.871	50	20	FJGD	
OC[C@H]1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)CCC1(F)F	1119970005	MBUQPNBMVDCNNI-LLVKDONJSA-N	367.330	4.794	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)c(Br)c1	1340934714	YWRHFPFACUBQLE-NTEUORMPSA-N	356.219	4.556	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@@H](c2ccccc2)O1	227628065	ISCVNXQKXMOZMO-NJAFHUGGSA-N	365.564	4.689	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	727976047	LNUBTFPGFIDVDC-ONNFQVAWSA-N	370.252	4.668	50	20	FJGD	
Cc1cc(C)c(NNC(=O)C2(c3ccc(Br)cc3)CC2)c(C)c1	743765460	QZDVTRWHSNLHLD-UHFFFAOYSA-N	373.294	4.549	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2C)c1C	744773282	AGNQWUXXCGPLKW-DEDYPNTBSA-N	370.456	4.652	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2coc3ccccc23)cc1Cl	746522192	LXBYTYXZWVXPHT-WQLSENKSSA-N	352.777	4.640	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	747004086	XYAOGDJXXPSWSD-UVTDQMKNSA-N	374.412	4.864	50	20	FJGD	
O=C(CC1CCCC1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	749449304	FSOFEGBFIBMLIL-UHFFFAOYSA-N	372.472	4.570	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cn(C(C)(C)C)nc1-c1cccc(OC)c1	759641256	CUVUBSJCZLJLSW-QAEAHILHSA-N	365.477	4.836	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(F)ccc3Br)[nH]c12	761177022	QYWDXGAYXBWKAE-KPKJPENVSA-N	356.198	4.837	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1c(Cl)oc2ccccc12	761253865	LFWGZBZYLXOXCU-UHFFFAOYSA-N	363.200	4.512	50	20	FJGD	
COc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1Cl	765687811	CXNHVHMOYLTVPR-ZDUSSCGKSA-N	359.944	4.679	50	20	FJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)c1ccccc1OC(F)F	775639818	VQLNXSFNNDWUIW-JLHYYAGUSA-N	368.314	4.765	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc2sccc2c1	779208834	NPCLQPTVMIWFSR-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)Nc1cccc(C)c1C	787170378	YLLJROZDXGOMTP-LQHTZKGQSA-N	361.401	4.704	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1)c1ccccc1	787178462	MCHBNCCBMYTUEU-MTGKDYNDSA-N	373.481	4.985	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	811691040	ITGFSJITTMELHQ-LURFLBPHSA-N	366.371	4.878	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	857502603	NXHHSEQYZVXSST-UHFFFAOYSA-N	364.420	4.778	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c1C	916481743	AIHIRZPWWQOLCH-YMDFIQGPSA-N	369.292	4.549	50	20	FJGD	
CCCCCOc1ccc(/C=C(\C#N)c2nc(C(=O)OCC)cs2)cc1	920386638	DDTNAVLFQPZLOI-FOWTUZBSSA-N	370.474	4.953	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3OC)n2)cc1	1324170955	DHDHNIAUBWBZML-DHDCSXOGSA-N	364.426	4.597	50	20	FJGD	
CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(CCl)c1	1335741994	SFNXNDHWVAKZJI-WOJBJXKFSA-N	357.881	4.665	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(-c2ccc[nH]2)cs1	28728527	KBJPDUGHNZSGDO-LLVKDONJSA-N	353.538	4.791	50	20	FJGD	
CCCCCOc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1	48417746	JOUVVBSEENRILR-SDXDJHTJSA-N	350.466	4.638	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2ccccc2C(F)(F)F)c1	177997980	LMYWXVRPYWGWAC-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	213905215	OKRSFNWRTOATHX-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1OC	588580973	WGPISILZYABYHF-YVLHZVERSA-N	357.413	4.657	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	731488485	HOIJOXZGQMUNSP-GHXNOFRVSA-N	350.708	4.914	50	20	FJGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2	732917740	HHUKZHGNBFXROT-RZTYHALVSA-N	374.528	4.808	50	20	FJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)C(=O)NC1CCCCC1	734368935	ZXYJIQKOQLOAQD-ACCUITESSA-N	356.372	4.581	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)cc1	734729126	MLJRHFIXFKAQEJ-MPMPPSQCSA-N	357.356	4.808	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1F	739426483	MPNBNRZWJWEGGC-LDADJPATSA-N	365.452	4.834	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	741474557	QLVQGFXOXPZPGT-QVIVLVACSA-N	372.209	4.963	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl	741475293	XQVSVMARFGHJFU-HLVNSREUSA-N	359.832	4.886	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1	746125866	OJUPABBGQJYEQH-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cccc(F)c1	748101113	LMSKFNGFXGNIBX-UHFFFAOYSA-N	356.422	4.710	50	20	FJGD	
O=C(NN=Cc1c[nH]nc1-c1cccc(Cl)c1)c1cccc2ccccc12	755744169	NASSIQBAKPPOCF-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
O=C(C[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1)c1ccco1	758698415	ODJCLJAYMBKVPN-GJZGRUSLSA-N	367.536	4.558	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1	759322982	YZMIGQSXIHRKIT-UHFFFAOYSA-N	370.355	4.523	50	20	FJGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	761591290	KKKSTKURKCZKQK-ZDUSSCGKSA-N	352.356	4.531	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2ccccc2)c1C	771519885	HTPWRRNRQNLBPE-CPNJWEJPSA-N	372.472	4.705	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1	780147397	MESILMDXQUVQGN-RIYZIHGNSA-N	353.834	4.931	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)C1CCCC1	781556005	SYYUJTSAXVODRY-CPNJWEJPSA-N	368.440	4.601	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCCC1	782974347	RAJJKPKBULZUQH-UHFFFAOYSA-N	365.389	4.909	50	20	FJGD	
CC(C)CN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782977941	CLYOUXWIEOSDMO-UHFFFAOYSA-N	353.378	4.621	50	20	FJGD	
Cn1c(Cl)cnc1CNc1ccccc1S[C@H](Cl)C(F)(F)F	799339360	MOTJELASMVNWGG-LBPRGKRZSA-N	370.227	4.905	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)cs1	801170001	GQVYSGZSWQVXFA-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCCCCl)cc2)c1	811686366	TVIVGKMRPTVMHL-GHRIWEEISA-N	354.837	4.548	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccco2)c(C)n1CCC(C)C	914495581	BLGBWSRCVUYXLJ-YNGKYYQNSA-N	367.493	4.871	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1	914768122	QSZOGKLECSWANP-WJDWOHSUSA-N	373.412	4.650	50	20	FJGD	
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1F	916292055	OLCBBRLSQCDVNE-UHFFFAOYSA-N	357.388	4.738	50	20	FJGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3ccc(C(C)(C)C)cc3)c2c1	1116516579	ATMLYYGKSCMXMS-UHFFFAOYSA-N	351.450	4.539	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)c1nc(N)c2ccccc2n1	1317813277	RVDVDLBHWADXQS-QBFSEMIESA-N	356.360	4.675	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cc1Cl	1321935018	AJTSHVBUGGSPAE-UHFFFAOYSA-N	364.701	4.702	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1322455275	IKIYOLSGSSSGHB-WQRHYEAKSA-N	366.424	4.667	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)cc3OC)n2)cc1	1324170956	DHDHNIAUBWBZML-OQLLNIDSSA-N	364.426	4.597	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OC)cc1	7167534	NPAWMYJSOWNRHN-COYFKBPASA-N	364.445	4.763	50	20	FJGD	
Cc1cc(OC(F)F)c(C(=O)NNc2ccc(Cl)cc2Cl)s1	178883755	MDRBGVJXEIALKT-UHFFFAOYSA-N	367.204	4.722	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C(C)C)c([N+](=O)[O-])c2)c1	205664874	DPOZBFCWXHIIFC-SXGWCWSVSA-N	350.374	4.517	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1OCC	212678344	RNGXRQBBCBFYSR-VBKFSLOCSA-N	353.393	4.803	50	20	FJGD	
CCOc1ccc(CN(C)C(=O)CCCC[C@@H]2CCSS2)cc1	726091249	IFOUGOSEIJQOCZ-QGZVFWFLSA-N	353.553	4.758	50	20	FJGD	
CCN1CCc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc21	728035348	HAKIZVCOESXSFU-MRXNPFEDSA-N	350.553	4.722	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	735698843	XRLJLSTXTIRZMW-QWRGUYRKSA-N	357.187	4.518	50	20	FJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNc1ccccc1	737068117	USRDKKKPYUNNOS-GOSISDBHSA-N	351.475	4.667	50	20	FJGD	
Cc1nc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)sc1C	741854413	LDVFAHIRKWPLFR-NRMVZKHRSA-N	373.528	4.763	50	20	FJGD	
Cc1ccccc1O[C@H](C)CNC(=O)CCCC[C@H]1CCSS1	742142552	MUUZATWWQLNYRO-CVEARBPZSA-N	353.553	4.593	50	20	FJGD	
Cc1ncc(CO)c(C=Nc2cccc(S(F)(F)(F)(F)F)c2)c1O	762414210	ZMFGUQHNCUXNOY-UHFFFAOYSA-N	368.327	4.996	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccc(C)cc3)cs2)cc1	764887183	XATGVEPRBFWJGH-GZTJUZNOSA-N	360.438	4.917	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1Br)C(=O)c1c[nH]c2ccccc12	767718268	SONFHPRWXOFZSH-GHXNOFRVSA-N	369.193	4.859	50	20	FJGD	
CCSCc1cccc(NC(=O)NNc2ccc(F)c(F)c2F)c1	770039163	MOYZGQIIMHLQKS-UHFFFAOYSA-N	355.385	4.506	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2NCc2ccco2)cc1	780806188	AYSZJDJJLWJMKE-UHFFFAOYSA-N	363.461	4.946	50	20	FJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Cl)cc1-c1ccccc1	785874731	VEAFPTMDLFKVKU-UHFFFAOYSA-N	361.829	4.568	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(CC(F)(F)F)CC1	791322272	NFXOWFAXUVHYLJ-CYBMUJFWSA-N	355.491	4.892	50	20	FJGD	
C=C(CBr)CN1CCC[C@H]1c1cccc(Br)c1	791448460	LHPMTMVOICIDNF-AWEZNQCLSA-N	359.105	4.537	50	20	FJGD	
C=C(CBr)CN[C@@H](CCOC)c1ccc(Cl)c(Cl)c1	792928411	SYPQUBGMCMJOQQ-AWEZNQCLSA-N	367.114	4.612	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)c(F)c2)sc2cc(F)ccc12	806988740	QGQOVKWRPWFEIM-UHFFFAOYSA-N	354.328	4.523	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3ccccc3o2)cc1Cl	810197953	BFUIKGOBZVSIKA-LCYFTJDESA-N	352.777	4.640	50	20	FJGD	
COc1ccc(CNCc2ccc(OCCCCl)cc2)cc1Cl	811484630	FNUVLTIHAZVTSA-UHFFFAOYSA-N	354.277	4.646	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC(OC4CCCC4)CC3)cc2C1	834930214	AVGGONKHWDRVSP-IKJXHCRLSA-N	374.550	4.861	50	20	FJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCC[C@H]1O	887979751	OTJZSZJORAIELT-VXGBXAGGSA-N	360.348	4.721	50	20	FJGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)s1	914867107	SZPLWKWZNBTKCJ-WZUFQYTHSA-N	371.252	4.889	50	20	FJGD	
CC(C)[C@H](CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776303230	XYKNJTDEPHPECJ-KRWDZBQOSA-N	351.563	4.517	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCC(C)C)cc1	7164480	SNOOPASRSGEICK-NBVRZTHBSA-N	364.445	4.666	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)c1	150843082	JTDXHIOEBAPTLJ-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cc1C#N	173017024	UDAPJODWLWMLIA-NTUHNPAUSA-N	351.818	4.894	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	177890702	VZELTWYMGQOYEA-CSKARUKUSA-N	366.414	4.617	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cccc(OCc2cccs2)c1	184306325	BFFXLZLCFRUQJR-UHFFFAOYSA-N	356.422	4.532	50	20	FJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2ccccc2C)o1	192733876	DVUJZBWYYTYHEL-UHFFFAOYSA-N	372.428	4.506	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1SC	214923864	XVEXYBUBBVENAE-NTEUORMPSA-N	372.877	4.925	50	20	FJGD	
C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(CCCl)cc1	321593915	JNEQDYIAAHXFDO-CYBMUJFWSA-N	372.317	4.503	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1Br	588580229	CUXOWABIHLELBD-ZROIWOOFSA-N	350.219	4.765	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1csc(COc2ccc(Cl)cc2)n1	726429788	VXJPRMDHPZTXLT-OXBCTQFSSA-N	360.866	4.898	50	20	FJGD	
CC(C)[C@@H](NC(=O)NNC(=O)C1CCC1)c1ccc(C2CCCCC2)cc1	732443254	WUUASBWTKJZRBE-HXUWFJFHSA-N	371.525	4.562	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	732716203	KNIJPMQRYJLFBJ-LCYFTJDESA-N	364.754	4.929	50	20	FJGD	
CS[C@@H]1CCC[C@@H](NC(=O)NN(Cc2ccccc2)c2ccccc2)C1	735383503	MJKWXQOCXOKZGM-UYAOXDASSA-N	369.534	4.582	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1Br	746394916	TWAWCQJGAJAKGW-RQNDZEIBSA-N	369.262	4.542	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747590960	PLAVZVRYULFVGR-UHFFFAOYSA-N	354.397	4.963	50	20	FJGD	
N#Cc1cccc(NNC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)c1	748045424	KTXZPBJIVILXRU-PKNBQFBNSA-N	363.417	4.582	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cnc(-c2cccs2)s1)c1ccccc1	751528753	KNGPCGQLYYLQLC-HNNXBMFYSA-N	355.488	4.516	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H](CCO)C1CC1	752981566	ZZJKZVCZOKWBIM-LBPRGKRZSA-N	360.348	4.627	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1csc2ccccc12	754153437	HXTWNYRLLTWKKK-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
CC(C)[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640738	ROXIOYJHVIJUMK-JTQLQIEISA-N	374.375	4.785	50	20	FJGD	
CC(C)Oc1ncc(C(=O)NNc2c(Cl)cccc2Cl)cc1Cl	763609438	TVAZQQVCIIDHNP-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
CCC(=O)Nc1ccc(C)c(NC(=O)NNc2ccc(C(C)(C)C)cc2)c1	780491942	MQRFREDOAIITFO-UHFFFAOYSA-N	368.481	4.790	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc(Br)c1)c1c[nH]c2ccccc12	787458083	JVJRSVVJUIKDNG-GFCCVEGCSA-N	372.266	4.567	50	20	FJGD	
O=S(=O)(CCCCCl)Nc1ccc(N=Nc2ccccc2)cc1	788048569	RNCSHUNRNLIVLF-UHFFFAOYSA-N	351.859	4.863	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2ncccc2c1	794885271	PZNWKLUVGQNBNM-YBEGLDIGSA-N	368.314	4.923	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ncc(-c2cccc(Br)c2)[nH]1	794955094	UNFNTVPLXRJXFA-LCYFTJDESA-N	372.266	4.751	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1C#N	799496900	ABKRSJVXVWTJFH-CPSFFCFKSA-N	357.196	4.664	50	20	FJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCOC1	806422080	LCMUNVLTXTVYGB-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
C[C@@](CN)(NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	841188870	AIFKVLPIJNEUCC-ZDUSSCGKSA-N	359.364	4.593	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H](C)CN1	841190173	LTRQQRNZHRMTHX-NXEZZACHSA-N	359.364	4.558	50	20	FJGD	
CC[C@H](C)NC(=O)[C@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	842164814	ZJWMDECTFUFBMU-QWRGUYRKSA-N	360.392	4.737	50	20	FJGD	
N#C/C(=C/c1cc(Br)ccc1F)c1nc(-c2ccccc2)no1	916131662	MDPNIVGJHPKTJV-JYRVWZFOSA-N	370.181	4.702	50	20	FJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2c(Cl)cccc2Cl)c1C	916336801	PBNXCHJVBOEJMW-ZDUSSCGKSA-N	365.260	4.528	50	20	FJGD	
COc1cc2c(cc1NC(=O)NN(C)c1ccccc1)oc1ccccc12	920939897	ZQZZINWMLLZZIC-UHFFFAOYSA-N	361.401	4.768	50	20	FJGD	
COc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)c2ccsc2)c1C	1317946816	VEQFOQHDZFYUGE-WQRHYEAKSA-N	362.454	4.954	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1C[C@H]1c1ccncc1	1348157750	CQBWKABSBRYFSP-ZWKOTPCHSA-N	351.475	4.522	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	6209785	JQFWWXKJPMCGFW-JLHYYAGUSA-N	361.228	4.938	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/C=C/c2ccccc2[N+](=O)[O-])c1C	6608273	BQINJGXZNOPBAP-XFWDVOEUSA-N	361.401	4.545	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(F)c(O)c(F)c3)n2)cc1	175325014	WWILLRYZBPWPKL-MLPAPPSSSA-N	370.380	4.867	50	20	FJGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1ccc(Cl)cc1Cl	178886267	UWOLQWQJGYPKRI-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)ccc1SC	195194312	KTOFMNCPQZWOJF-NTUHNPAUSA-N	366.417	4.827	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccnc2)cc1	207692453	KVIMXSHCOQWFDH-MOSHPQCFSA-N	369.424	4.515	50	20	FJGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F	255062310	JJVUCTMLMUNWKN-OWBHPGMISA-N	361.355	4.681	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1O[C@@H]1CCOC1	268373678	KUCOTZFJEBXTSY-CABCVRRESA-N	367.536	4.507	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1csc(-c2ccccc2)n1	302610036	LMZQIATUOIZVIV-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
C[C@H]1COCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	364100521	KFUGNNPDUMJBKC-SNVBAGLBSA-N	360.348	4.844	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2nc(-c3ccccc3)cs2)c(C)c1	726876534	SYEFELCWUZJKAG-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
O=C(NNc1ccc(F)cc1)[C@@H](Sc1ccccc1F)c1ccccc1	729965382	CKGPLLRLLREXOL-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
COCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1	730464362	QJWFQLSDMSAHKA-CYVLTUHYSA-N	363.457	4.799	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc3ccccc3c2)c1C	730698775	FZSRQUZETMIEKK-CIAFOILYSA-N	373.456	4.714	50	20	FJGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)o1	732763606	MBPQNNGZSXBZAJ-OXJNMPFZSA-N	374.440	4.599	50	20	FJGD	
Cc1cccc2c(CCC(=O)NNc3ccc(C(F)(F)F)cc3)c[nH]c12	747591222	VENNDOJIJFXOQQ-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCCCC2	748643097	BGIJIMQHZORXFZ-UHFFFAOYSA-N	366.433	4.765	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3cccnc3Cl)sc2c1	754485348	GTTSAOIJFXYGSU-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1ccc(SC(F)F)cc1	759074405	VWZSRJRFGPKDSM-YVMONPNESA-N	371.821	4.657	50	20	FJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2csc(Cl)c2Cl)c1C	761764950	AOTJVZKVELKRDR-LLVKDONJSA-N	371.289	4.589	50	20	FJGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)n2c1	773162754	XOOSCQNZJYQVLH-AWNIVKPZSA-N	373.309	4.591	50	20	FJGD	
COc1c(Cl)cccc1NC(=O)NNc1cccc(C(F)(F)F)c1	775555741	CDXMVERBMHYMNH-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2sccc2Cl)cc1Cl	779752211	PAFBNMKZOPFREW-TWGQIWQCSA-N	353.230	4.609	50	20	FJGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c1C	782368503	GWELIXNSWVOBHU-GDNBJRDFSA-N	361.367	4.719	50	20	FJGD	
C[C@H](O)C[C@@H]1CCCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788021224	LVFFMSUHCUVSID-PXNSSMCTSA-N	363.618	4.944	50	20	FJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2nccc3sccc23)c1	790719681	XNQAYHGYWUCCFX-AWEZNQCLSA-N	369.490	4.722	50	20	FJGD	
O=C(NN=C/C=C\c1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl	794881793	XNALTXKWQKWUHW-SLJZUAOWSA-N	355.171	4.701	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(C)cc(Cl)n2)c1C	805964483	PVKPWRNHBMXIIR-LICLKQGHSA-N	371.868	4.522	50	20	FJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)NNc1cccc(F)n1	806259420	CRVGTGSXLVHUNT-UHFFFAOYSA-N	354.838	4.523	50	20	FJGD	
COC(=O)Nc1ccc(NC(=O)NNc2c(C)cccc2C(C)C)cc1F	812961202	QHNREPBVNSNYDH-UHFFFAOYSA-N	374.416	4.584	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	834307636	CJOSUSUEJONZOS-ZACQAIPSSA-N	369.596	4.508	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc(C)sc2C)cc1	914762802	XPHCSFYOBHAKIP-MPMPPSQCSA-N	354.475	4.548	50	20	FJGD	
COc1cc(C(=O)NN=C[C@@H](C)c2ccccc2)ccc1OCCC(C)C	916349476	ZMZUKVCWWPHNPC-QGZVFWFLSA-N	368.477	4.639	50	20	FJGD	
CC(=O)Nc1c(C)ccc(NC(=O)CCCC[C@@H]2CCSS2)c1C	918373202	VMESGPLWKNROHQ-OAHLLOKOSA-N	366.552	4.914	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3cc(C)ccc32)c1C	919869766	DTPXUQBMANFVLN-VLOXRPPESA-N	361.489	4.534	50	20	FJGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)c1ccccc1C	921140013	MPYFBTPYPNVKCI-UHFFFAOYSA-N	373.294	4.886	50	20	FJGD	
C[C@@H]1C(=O)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	930765738	UUGIFKKOSZCRFD-SECBINFHSA-N	358.332	4.929	50	20	FJGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c1	1322546516	MAUSULPDRZMXQG-UKTHLTGXSA-N	360.196	4.570	50	20	FJGD	
COc1ccccc1CN(C(=O)CCl)c1cc(Cl)cc(Cl)c1	1323268859	HQQAUNUBKUFLOO-UHFFFAOYSA-N	358.652	4.774	50	20	FJGD	
C[C@H](Sc1ccc(F)cc1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	25592025	PAHCGMRMAFCQDY-KEVMXDQOSA-N	356.447	4.828	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(-c2ccccc2)cc1	114112198	JQSACWATFHMLEL-UHFFFAOYSA-N	353.853	4.658	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)s3)n2)cc1	122154314	JKPHTKDMCFSNOY-LCYFTJDESA-N	354.456	4.953	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(F)c(Cl)cc1F	179187414	MXXOWYYFWVERDX-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2	585680753	DWCTVXNAEBVPSC-UHFFFAOYSA-N	351.277	4.660	50	20	FJGD	
Cn1ccc2c(NC(=O)NN(Cc3ccccc3)c3ccccc3)cccc21	727031364	HUVCQOFOULJMGQ-UHFFFAOYSA-N	370.456	4.922	50	20	FJGD	
COc1ccc2cc(C=NNC(=O)c3c(Cl)cccc3Cl)ccc2c1	727781913	ZQJRUGXSFNHUKC-UHFFFAOYSA-N	373.239	4.919	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	732926316	MEEXJCPDFQDKGI-DHDCSXOGSA-N	357.356	4.703	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1	739899197	GBHDCHJOTCFMQZ-RIYZIHGNSA-N	366.764	4.671	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2occc2-c2ccccc2)cc1C(F)(F)F	746896382	MPUVLMXDPXKFFX-UHFFFAOYSA-N	371.318	4.594	50	20	FJGD	
COC[C@@H](C)NC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	762441368	APAZHUKDJYJUQO-MRVPVSSYSA-N	350.378	4.665	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2scnc2C2CC2)c1C	762698547	ZJGOAYBIHNPGOC-LICLKQGHSA-N	368.506	4.785	50	20	FJGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1c(Cl)cc(F)cc1Cl	767406795	HXQXUERDOMFRAO-JTQLQIEISA-N	371.239	4.778	50	20	FJGD	
COc1c(Br)cccc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1	774135156	PMAXGLKCEUWNRH-NTEUORMPSA-N	373.206	4.739	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)C1CCCC1	777468729	XAMGBBSNNRRNEW-RQZCQDPDSA-N	373.378	4.616	50	20	FJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)s1	794874233	FONKQEWTOISYAF-LUAWRHEFSA-N	357.797	4.516	50	20	FJGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)C2CCOCC2)cc1OC	794957555	FRMFMDVPPVGBMD-RGEXLXHISA-N	371.477	4.557	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)c1nc2ccccc2[nH]1	799889365	NDGIWOSUBOOGIG-VQHVLOKHSA-N	360.161	4.668	50	20	FJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCCOC1	806400732	DPLFMRQTASXDTP-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
Cc1ccc(CCC(=O)NNc2ccnc3cc(Cl)ccc23)c(C)c1	810440847	TUTWXQFYKNXAHY-UHFFFAOYSA-N	353.853	4.581	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246943	XCEGXHSTTYWFKO-ZROIWOOFSA-N	355.319	4.721	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1cccc(F)c1Sc1ccccc1	817008238	JKCNNVJYVAALIB-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
C/C(=C\C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1	817013834	FSCWWXIOWFGEIB-XBXARRHUSA-N	352.278	4.524	50	20	FJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F	817050513	ROGVZGWKOYGGSQ-LGMDPLHJSA-N	368.408	4.662	50	20	FJGD	
CCCC(C)(C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	821572617	KRBDBYGABFMLJZ-UHFFFAOYSA-N	374.375	4.977	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	857831193	ZBHPGEMTLPEFSQ-UHFFFAOYSA-N	364.420	4.778	50	20	FJGD	
C[C@H]1CCCC[C@H]1N(C)CCP(=O)(c1ccccc1)c1ccccc1	917096798	ADBMDKWEAFLUFR-SIKLNZKXSA-N	355.462	4.511	50	20	FJGD	
COc1ccc2c(c1)c(C(=O)NNc1cc(C)cc(C)c1)c(C)n2C1CC1	1340924727	FXSFOEPQIMATGC-UHFFFAOYSA-N	363.461	4.667	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ncoc2C(C)C)c(C)n1CC(C)C	1341617256	BSOSAYPGHNYRMX-LSCVHKIXSA-N	369.465	4.523	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	7157912	GMIODJYUYYBCPS-MDWZMJQESA-N	362.401	4.898	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3c(F)cccc3F)c(F)c2)cc1	118509687	AYWCXDZLFXMLRW-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1ccc2n[nH]c(I)c2c1	203763726	VAYFASAXLKWTOV-UHFFFAOYSA-N	374.298	4.552	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1csc(Br)c1	212909574	SGXRFMAXWIEZPD-MLPAPPSSSA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1cc(Cl)ccc1Cl	255418222	MXPAKQWKTCGRSG-POHAHGRESA-N	352.608	4.587	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccc(Cl)cc3)ccc2c1	727859262	QYXXBZSKAVCXGT-ZDUSSCGKSA-N	354.837	4.749	50	20	FJGD	
Cc1ccncc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	729404562	CYTTYXOXFGMJJB-UNOMPAQXSA-N	362.477	4.859	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@@H](Sc1ccccc1)c1ccccc1	735696448	UOBSZOJMCUTZJA-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)c1	743765679	XNVLFJLMIPYJIG-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Br	746391816	BEOVUMJGMXCYLF-MHWRWJLKSA-N	369.262	4.920	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc2ccccc2c(Cl)n1	748008539	XUIVURIRFROEQE-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
COc1cc(C)c(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1OC	751514822	PJQJMNSHIALIAG-SXGWCWSVSA-N	363.442	4.595	50	20	FJGD	
CC(C)(C)SCCCC(=O)NNc1cc(C(F)(F)F)ccc1F	754142633	HELMMDSOWUCDKR-UHFFFAOYSA-N	352.397	4.600	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1	759658848	VBWIMOLRMQFZAX-UHFFFAOYSA-N	373.456	4.621	50	20	FJGD	
N#C/C=C/CSc1nnc(Nc2ccc(SC(F)F)cc2)s1	763299461	VVYSBDXGEUGUQT-OWOJBTEDSA-N	356.448	4.768	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)cc3Br)[nH]c12	767713606	LMETXQYBHQTYCC-KPKJPENVSA-N	356.198	4.837	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(=Cc2ccccc2F)CC1	768251048	FMPRGPMWDFENCZ-MRXNPFEDSA-N	368.290	4.641	50	20	FJGD	
CCc1nn(C)cc1CNc1ccccc1S[C@@H](Cl)C(F)(F)F	770738475	VHPLLNHKYQDPDV-CQSZACIVSA-N	363.836	4.814	50	20	FJGD	
CC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773215621	QZEWIQLDCUPYFA-NSHDSACASA-N	372.359	4.684	50	20	FJGD	
CN(C1CCCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777858541	KYJRMOINRMDLQA-UHFFFAOYSA-N	365.389	4.907	50	20	FJGD	
C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)CCCCCl	780749050	OBTMHSTWAQDEFG-HNNXBMFYSA-N	371.955	4.660	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]nc2-c2ccccc2Cl)cc1	780806322	JZLLYHHWBINTPX-UHFFFAOYSA-N	368.868	4.785	50	20	FJGD	
CSSCCNC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	791150624	PMLCMNFWGUIVKO-UHFFFAOYSA-N	366.577	4.603	50	20	FJGD	
O=C(NN=C1CCC2(CC1)CC2)c1ccc(Br)cc1Cl	792634024	YRCZIFYWQHXUKQ-UHFFFAOYSA-N	355.663	4.543	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2F)c(C(F)(F)F)c1	794871928	GCLGXXHPOZLVQO-LCYFTJDESA-N	362.326	4.700	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc2ccc(OC)cc2c1C	799757026	QNLKBUPBWSBEDN-UHFFFAOYSA-N	354.475	4.846	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3ccc(C(F)(F)F)cn3)c2c1	804566923	ICBNZANKJBWEML-UHFFFAOYSA-N	363.339	4.727	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H](CC)Oc2ccccc2C(C)C)cc1	857511898	CFQPYEVHBNPLGP-LJQANCHMSA-N	356.466	4.509	50	20	FJGD	
COCc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	915345639	UCZBRZVWQQQWHJ-UHFFFAOYSA-N	361.445	4.576	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1cccc(N(C)C)c1	917210930	WDWRUSSYLLITLL-UHFFFAOYSA-N	363.461	4.605	50	20	FJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc2ccccc2c1	917575639	BTQYUQUECMHPTP-UHFFFAOYSA-N	363.486	4.595	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3cccs3)oc2C)cc1	11175877	KCEWNBNDWQCEQE-MHWRWJLKSA-N	364.426	4.670	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1cccc(Cl)c1	11297482	XOVDXEVJQBFKPP-SFQUDFHCSA-N	361.832	4.932	50	20	FJGD	
CCOc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	15434670	PNIUBSIMDSHGQY-UHFFFAOYSA-N	359.640	4.802	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)c(C)n1C1CCCCC1	103274987	JRVOLZXHQDSLQU-UHFFFAOYSA-N	365.399	4.784	50	20	FJGD	
Cc1cc(NNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)nc(C)n1	129047816	LERUJVCXPXZTIL-UHFFFAOYSA-N	372.881	4.541	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2c1	179127670	GEXWQFWHZKWENG-JLHYYAGUSA-N	352.777	4.640	50	20	FJGD	
COCc1cc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)no1	297898803	ROFJPPCZWIGGLE-ZDUSSCGKSA-N	366.792	4.652	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1OC	588580891	UDEKQSHGXARXFN-ATVHPVEESA-N	359.429	4.881	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1	734551511	BJNHZXPHSUIKCN-UHFFFAOYSA-N	366.383	4.820	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	735698748	UPHUPKHZRCVQTA-VHSXEESVSA-N	357.187	4.518	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc(Cl)ccc1[N+](=O)[O-]	739426525	MVTJRERWCMNFAJ-MDWZMJQESA-N	365.776	4.828	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccc(Cl)c(F)c1	746700125	DPCLHKNJABBQAY-UHFFFAOYSA-N	357.816	4.550	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1ccc(OC(F)F)cc1	754280576	HZEJIPMSNQHYNO-ZIAGYGMSSA-N	360.404	4.721	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)C(=O)c1c[nH]c2cc(F)ccc12	758017436	SKWKNVPKYLGKHB-IQTQREKJSA-N	352.315	4.931	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)C2CCCCC2)c(-c2cc3ccccc3o2)n1	767713946	NMNCTUVCFLWALD-GZTJUZNOSA-N	359.429	4.890	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1cc(Cl)ccn1	778446708	CZRQSJAEMSOCQA-VURMDHGXSA-N	373.840	4.759	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)c1cccc(C(F)(F)F)c1	782370423	UQNWSMJSFDZKSQ-LFIBNONCSA-N	367.330	4.681	50	20	FJGD	
COCC1(C)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	788663838	TYKAKAYHXFMTHD-UHFFFAOYSA-N	360.348	4.844	50	20	FJGD	
CC[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1nc(C)cs1	790295729	KHDMOLPCZHEZJN-GFCCVEGCSA-N	359.282	4.536	50	20	FJGD	
CCCN(N=Cc1cc(C)n(-c2nccs2)c1C)C(=O)OC(C)(C)C	794995661	MBLINLOAUYWEBA-UHFFFAOYSA-N	362.499	4.532	50	20	FJGD	
O=C(NNC(=O)c1sccc1Cl)Nc1ccc(-c2ccccc2)cc1	803394962	VEJDPXXRSWKORT-UHFFFAOYSA-N	371.849	4.535	50	20	FJGD	
O=C(COCc1ccccn1)Nc1cccc(S(F)(F)(F)(F)F)c1	805198175	MJAIMDOERODVCC-UHFFFAOYSA-N	368.327	4.894	50	20	FJGD	
COC(=O)C[C@H](C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808713181	FVQDEMVDQJSGHW-SECBINFHSA-N	361.332	4.872	50	20	FJGD	
C[C@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@@H](c2ccsc2)O1	811465765	MVMJGNAIUAKKBR-KXBFYZLASA-N	365.926	4.718	50	20	FJGD	
C[C@H]1C[C@H](CO)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	817312219	WWMVOEFFVCXDBZ-QWRGUYRKSA-N	374.375	4.826	50	20	FJGD	
O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1c[nH]c2ccccc12	818208988	ONEGOBKYDRNKBA-UHFFFAOYSA-N	366.635	4.892	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@]1(C)CO	822611692	BCRDEBAMFQSTHN-QMTHXVAHSA-N	374.375	4.826	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2sc(C)cc2Br)c(C)c1	837487288	DQNFORINUIASBD-UHFFFAOYSA-N	353.285	4.501	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)F)ccc1OCc1cccs1	840734921	KXRJPEFBGMPJAK-NTEUORMPSA-N	359.422	4.560	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	920240723	BEROFZAFKKFCRF-CPNJWEJPSA-N	360.457	4.953	50	20	FJGD	
CC(C)(C)c1nc(C=NNC(=O)c2cc3c(s2)CCCCC3)cs1	920369239	UHTZSBWQCOPQQD-UHFFFAOYSA-N	361.536	4.535	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)CC1	1776779161	ZXGJOPLQBBJMBS-GZTJUZNOSA-N	357.425	4.997	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)cc1Cl	124237587	WCWAIKGGYKCDAA-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1	161150167	IKXQCXIAYGHYHP-UHFFFAOYSA-N	355.397	4.766	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)C(=O)Nc1ccccc1F	171764738	URSFSFNPKWWIFS-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc([N+](=O)[O-])ccc1C	175636253	SYSJBXWHJORNAR-UHFFFAOYSA-N	369.446	4.854	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)Nc1ccccc1C(F)(F)F	206994640	HNXVPZWOJQYDSF-NTMALXAHSA-N	352.262	4.529	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3cccs3)n2)cc1	728437937	LIYPXPGYIDVXAN-GXDHUFHOSA-N	365.483	4.980	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OC	749453633	URUTVHPTESELRT-DSQDWWTGSA-N	368.408	4.557	50	20	FJGD	
Cc1ccc2c(CCNC(=O)CCCC[C@@H]3CCSS3)c[nH]c2c1	749629898	SYYCDHAFWQMNRL-MRXNPFEDSA-N	362.564	4.849	50	20	FJGD	
CS[C@@H](C)CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	752176099	MXVZUNIOHOTBIG-KWQFWETISA-N	372.865	4.779	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc[nH]2)c1C	760729987	LLGSNEPCFYNMDZ-IZQLPPHKSA-N	372.472	4.515	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccn(C2CCCC2)n1	763894726	HOKMJMFWFBODIY-MRXNPFEDSA-N	354.541	4.756	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc2)oc1C	767314152	VHVAGQUSXBEIRB-CQSZACIVSA-N	365.271	4.707	50	20	FJGD	
Cc1c(C(=O)NNc2nc3ccccc3[nH]2)oc2c1ccc1ccccc12	768505456	SNKJCQIBFLDVCV-UHFFFAOYSA-N	356.385	4.528	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2cccc(Cl)c2)c(Cl)c1	771122643	DVDAVBIYCDGZDT-UHFFFAOYSA-N	353.249	4.929	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1CCC(F)(F)F	771177818	INLITCTXIPBZSB-UHFFFAOYSA-N	355.335	4.778	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3cnc4ccccc4n3)sc2c1	774772217	XWCMRZRFDSUHIT-UHFFFAOYSA-N	368.849	4.563	50	20	FJGD	
C[C@@H]1C[C@H](Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCN1C	777621088	GOKHGFYRPHYCJU-GYSYKLTISA-N	352.853	4.801	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1OC(F)(F)F)c1cccc(Cl)c1	779216665	IVRKGGCBBJYZHC-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)c1nc(-c2ccncc2)cs1	779360086	ZMVRMIYWYQGBPF-GHXNOFRVSA-N	359.241	4.971	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(SC2CCCC2)cc1	786917331	JEGPFFHCDJXCIY-SSZFMOIBSA-N	364.470	4.973	50	20	FJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CCC(C(F)F)CC1	799472381	NQVBJXQNEVQPPZ-CFMCSPIPSA-N	360.404	4.535	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(NC(=O)C(C)C)c1	812919664	WEMHLUFLMPLMES-UHFFFAOYSA-N	368.481	4.862	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(F)ccc1Cl	814318629	GFLFNMWQUDPVOV-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
CCCCCC(C)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	818269595	FTYPCJWVYOYJCX-UHFFFAOYSA-N	359.495	4.692	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(CC(F)(F)F)cs1	819296547	TWECBYDRRIFZGJ-JTQLQIEISA-N	370.487	4.901	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)C(=O)c1ccc(F)cc1	915987261	BDAMCQOQIUHPSE-UYRXBGFRSA-N	358.372	4.590	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cc3ccccc3s2)cc1	920746992	NFGXDFORRQENGU-GZTJUZNOSA-N	362.454	4.523	50	20	FJGD	
CCCCCOc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OC	1322148577	QKYNGYKSJZOXDX-UHFFFAOYSA-N	374.868	4.682	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2c(Cl)cccc2Cl)c1C1CC1	89854140	QZEMSKWASGYNGX-SNVBAGLBSA-N	367.280	4.795	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(-c2nccs2)cc1	153884334	KPFTWXAPVSNPSY-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(-c2ccc(Cl)cc2)on1	175417542	CEEOZSKFDYUVIF-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	255394206	SOXOKUOQTKFJLW-XSFVSMFZSA-N	358.441	4.560	50	20	FJGD	
CC(C)c1ccsc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746889396	MXSHXSHIHIQHQP-UHFFFAOYSA-N	353.369	4.519	50	20	FJGD	
Cc1nc(-c2cc3c(s2)CCN(C[C@@H](C)CBr)C3)cs1	770666081	IQNVQUQGKHDUTF-JTQLQIEISA-N	371.369	4.569	50	20	FJGD	
Cc1cc2occ(C(=O)NNc3ccc(OC(F)(F)F)cc3)c2cc1C	771422718	WFBBSTHLNINCBL-UHFFFAOYSA-N	364.323	4.705	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC(F)F)C(=O)c1cccc(F)c1	773171000	KFOKAVABBRIEOA-WUXMJOGZSA-N	351.711	4.870	50	20	FJGD	
O=C(Nc1cccc2cc[nH]c12)NN(Cc1ccccc1)c1ccccc1	776064470	RJTGUNUAFDHDPX-UHFFFAOYSA-N	356.429	4.911	50	20	FJGD	
C=CCSc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	777113817	JFOUZQJGXKZRRX-UHFFFAOYSA-N	352.381	4.740	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@@H](C)C[C@H]3C)s2)cc1	783821186	KNMLYDZDZPHUCD-CHWSQXEVSA-N	371.506	4.548	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@H](C)C[C@H]3C)s2)cc1	783821198	KNMLYDZDZPHUCD-QWHCGFSZSA-N	371.506	4.548	50	20	FJGD	
Cc1csc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1Cl	790837191	RANMROQASNZXDN-UHFFFAOYSA-N	353.633	4.913	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)c1ccc2ncccc2c1	794885758	VXQHFBWORYXWMQ-NSIKDUERSA-N	369.243	4.849	50	20	FJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(C)cc1	794922275	FUXPJCYSAXDVKY-UHFFFAOYSA-N	355.825	4.623	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1F	799891017	IDAHXOTUZWGNKR-GHXNOFRVSA-N	354.768	4.759	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(F)(F)F)c(C)n1C1CCCCC1	807896955	FIRJOAZKRJEGHS-DWKHYPNZSA-N	367.415	4.584	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1cc(Cl)ccc1Cl	810196512	ZGBUPOYGPNIOHT-RIYZIHGNSA-N	371.223	4.858	50	20	FJGD	
Cc1ccc(C(=O)NC2CC2)cc1NCc1ccc(OCCCCl)cc1	811470422	ZFUBGQKOQQWEFI-UHFFFAOYSA-N	372.896	4.507	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(OCC(F)(F)F)cc1	812769046	RDILLQBMJJMUSV-UHFFFAOYSA-N	366.383	4.816	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CCCCC23CCCC3)cc1OC	814756157	XWMDWRSFMFXPJG-UHFFFAOYSA-N	358.482	4.704	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3nc(C)sc3c2)cc1	888535356	HBVDEBXQWREJMX-GDNBJRDFSA-N	363.442	4.549	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-]	912585893	UKTCUQKHDOBOIP-UHFFFAOYSA-N	367.792	4.731	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)cc1OC	916347895	BCLQWEIEILQDRU-HZPDHXFCSA-N	358.482	4.560	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(CCc3ccccc3)o2)c1C	1322400227	QRVOAEXISRJHMP-XSFVSMFZSA-N	360.461	4.747	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccc(Cl)nc3)o2)c1C	1324151157	JSAHWHBPKSDGHR-CXUHLZMHSA-N	367.840	4.678	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2Cl)cc1	25707411	LASGZIUJLLEHEM-AOHITCTBSA-N	354.837	4.523	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2[nH]1	33908105	LCRVJVPACJHKOC-KAMYIIQDSA-N	356.341	4.795	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c(-c2cc3ccccc3o2)n1	63278011	BKQKBAOKCAXIRS-YBEGLDIGSA-N	371.371	4.762	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NNc2ccccc2)c(C)n1C1CCCCC1	78225353	DNBNKTFNVGUTPR-RGEXLXHISA-N	362.477	4.660	50	20	FJGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1ccc(Br)s1	107066993	SEHKCPOIYFUJGZ-LCYFTJDESA-N	369.243	4.849	50	20	FJGD	
O=C(NNc1ccccc1Br)c1c(Cl)cccc1Cl	153602291	HMYGGSRBPCHXSC-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1c2ccccc2-c2ccccc21	185793677	HFBVZHKDQYQDSD-VKAVYKQESA-N	366.420	4.528	50	20	FJGD	
Cc1cccnc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	750178553	GUWQOJKHPYOHBM-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCC2)c(C)n1C1CCCCC1	758775101	RDKVTTPRFJMCNU-RGEXLXHISA-N	353.510	4.918	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccc(C)cc3)cs2)cc1	764887179	XATGVEPRBFWJGH-BOPFTXTBSA-N	360.438	4.917	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1Br	765613127	HNGOWVCNLYISAW-KMKOMSMNSA-N	365.133	4.700	50	20	FJGD	
CC[C@H](C)N(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@H](C)CC	767517451	VNZAEOHNWODPKI-WTOUMPRVSA-N	373.541	4.645	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(C)c2OC(F)F)cc1	777869650	MTTHOEADXJHBJC-PTNGSMBKSA-N	372.371	4.541	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CCO[C@H](CC)C1	781600763	LMQWMBLQOHHWOZ-WMLDXEAASA-N	360.523	4.918	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CCC[C@@H](C(F)(F)F)C1	783512220	WMSPQGIOMWNYPJ-SNVBAGLBSA-N	364.820	4.657	50	20	FJGD	
COc1ccc(SC)c(OC)c1C(=O)NNc1c(C)cccc1C(C)C	794948034	GPRZOAMJAGGCSX-UHFFFAOYSA-N	374.506	4.614	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ncc(-c2ccccc2)o1	813037392	PHCPNKACDNAWAR-UHFFFAOYSA-N	364.449	4.600	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@H]2CC2(F)F)c(C)n1C1CCCCC1	816421503	PNAVSWJQMWNAMH-VHEJECIDSA-N	362.420	4.716	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C\c2cccc(OC3CCCC3)c2)cc1	817885544	CPLWQJBRZNKPHK-GDNBJRDFSA-N	366.461	4.563	50	20	FJGD	
NCC1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	841190230	NDZWJTPFRVMNAS-UHFFFAOYSA-N	359.364	4.547	50	20	FJGD	
C[C@H](CN(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	841840968	METGOOIIWWDTJC-MRVPVSSYSA-N	362.320	4.528	50	20	FJGD	
Cc1ccc(SCC(=O)NNc2ccccc2C(F)(F)F)c(C)c1	912638581	SIRVAIGZBXGPBS-UHFFFAOYSA-N	354.397	4.558	50	20	FJGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)c2ccccc2C)cc1	920370201	HPWBODITUFBKHZ-FIXBGBDESA-N	350.462	4.688	50	20	FJGD	
O=C(NNc1cccc(Cl)c1Cl)c1oc(C2CC2)nc1C(F)F	1347037463	UYRDDNIJMHNQMF-UHFFFAOYSA-N	362.163	4.553	50	20	FJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C)CCC2)cc1	1786443811	JEPBFTPOWVQMKI-INIZCTEOSA-N	364.917	4.574	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cs2)c(C)c1	6209837	JNLTXDYAGKHZBO-WUXMJOGZSA-N	361.264	4.673	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccsc3)n2)cc1	63276048	IPBZNHGXTIUZHQ-DHDCSXOGSA-N	365.483	4.980	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1cccc(C(F)(F)F)c1	175218296	YBLGVLOJZMDSJH-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccn1Cc1ccccc1	752811537	XPFYCLQRYIMSMJ-UHFFFAOYSA-N	360.244	4.600	50	20	FJGD	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1cc(Cl)ccn1	768393393	XTNICBSEVPQDNT-CLFYSBASSA-N	356.640	4.588	50	20	FJGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)ccc21	773163723	ZBSCUEIKJAICDU-AWNIVKPZSA-N	373.309	4.521	50	20	FJGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	779208824	NJIAMDBYUJNURL-GFCCVEGCSA-N	368.355	4.519	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ncc(C(C)(C)C)s2)n1	790601559	NXHOCCOBPIKEDN-XFFZJAGNSA-N	374.535	4.740	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	794873676	ABTKGRBMCADEJF-XNTDXEJSSA-N	365.795	4.763	50	20	FJGD	
Cc1ccccc1NNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1	861423935	OFLKUJCBZXYQEV-UHFFFAOYSA-N	364.832	4.636	50	20	FJGD	
N#C/C(=C/c1ccc(Br)s1)c1nc(-c2ccccc2)no1	916131085	AZHLVYLUJDCOAT-FLIBITNWSA-N	358.220	4.625	50	20	FJGD	
COc1cc(OC)cc(Oc2ccc(/C=C(\C#N)c3ccccn3)cc2)c1	920863795	CQVZSKUDMOMBPR-GZTJUZNOSA-N	358.397	4.955	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	920991575	VUGYQDRQNDKEIU-SDNWHVSQSA-N	371.223	4.551	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3cccnc3)o2)c(C)n1CCC(C)C	1322676309	DHSJHFGSVFPDKI-YBFXNURJSA-N	361.449	4.660	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2csc(-c3ccc4c(c3)OCO4)n2)sc1C	125411296	SUFZGFCALLKDCJ-ACAGNQJTSA-N	367.455	4.676	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(C)cc3)c(F)c2)c(F)c1	158897180	MMRBZWLQVLFBHG-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)cccc3C)c2C)no1	255142371	CHPUZWYUPDBVSV-ODLFYWEKSA-N	374.444	4.553	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2csc(-c3cccs3)n2)cc1	728440044	RZSHYITXACBLDY-OQLLNIDSSA-N	372.496	4.518	50	20	FJGD	
COc1ccc(NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1	729273836	HLMASCXTNHDTEO-AWEZNQCLSA-N	358.507	4.665	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	733363110	OPUWEGLKMJJSOK-NEPJUHHUSA-N	357.187	4.518	50	20	FJGD	
O=C(NN=Cc1ccc(N2CCCCC2)s1)c1cccc2ccccc12	741462965	UGJWGOKRXSTIIG-UHFFFAOYSA-N	363.486	4.656	50	20	FJGD	
Cc1ccc(OCCCNC(=O)CCCC[C@@H]2CCSS2)cc1	750768210	IFVRCSSQPZJEMW-QGZVFWFLSA-N	353.553	4.594	50	20	FJGD	
CSc1cc(C(=O)NNc2ccc(Cl)nc2)c(Cl)cc1Cl	761573062	RWBJTNFYTGUEPL-UHFFFAOYSA-N	362.669	4.521	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccccc3cc2OC(F)F)c1	762002969	KYKAMAGSKQBQSK-UHFFFAOYSA-N	356.372	4.815	50	20	FJGD	
CC(C)Oc1cncc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	764452229	LTMXWVUACZCOFZ-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
C=CC[C@H](C(=O)NNc1ccc(Br)c(C)c1)c1ccccc1	779012760	VRONLZMUBGXHIY-INIZCTEOSA-N	359.267	4.561	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C)c(C(F)(F)F)c1	794870360	VCRHVMBJVHAILB-UVTDQMKNSA-N	370.378	4.722	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2)c1Cl	794952746	IQFNNJUKKLLOMQ-WJDWOHSUSA-N	355.869	4.806	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1Cl	806565541	OISQEYZTTLYQJH-OQFOIZHKSA-N	374.149	4.886	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cccc(Cl)n3)c(F)c2)cc1	817008985	PPKIPZYOXGMCRP-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1ccc(F)cc1	841259794	JXQNXEHXHHXVOO-BENRWUELSA-N	356.397	4.850	50	20	FJGD	
O=C(NNc1ccccc1Cc1ccccc1)C1(c2cccnc2)CCCC1	846461767	ODORZNNVJVFYFO-UHFFFAOYSA-N	371.484	4.628	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(/C#N)C(=O)C(C)C	915991933	LEMUTJQDDCBDDD-ZSOIEALJSA-N	362.260	4.679	50	20	FJGD	
CN(N=Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)OC(C)(C)C	920380677	DNVMJCZKIYLYRC-UHFFFAOYSA-N	351.859	4.664	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3ccc(C(C)(C)C)nn3)c(Cl)c12	1318938099	AWAONJSKTQODLL-UHFFFAOYSA-N	374.897	4.708	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)nn2)sc1-c1ccccc1	1332924465	QIRIMTZIFNAFMM-UHFFFAOYSA-N	366.490	4.568	50	20	FJGD	
CN(C(=O)c1cccc(CCl)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	1338949561	JFFOIJPLLUOAPG-RBUKOAKNSA-N	361.844	4.557	50	20	FJGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)Nc1cccc2ccccc12	119555987	VSHJFPUADJUSQR-KAMYIIQDSA-N	367.330	4.799	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc2cccnc12	153643051	SGBXNHLANXGKDK-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1	176902492	IEKHTTNEWADBBY-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
CN1CCC(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184427191	ARHDAZFXCAYWLZ-UHFFFAOYSA-N	373.391	4.807	50	20	FJGD	
Cc1sc2nc([C@@H](C)Br)[nH]c(=O)c2c1-c1ccc(F)cc1	184759283	QEYGBNLRJAJEFL-SSDOTTSWSA-N	367.243	4.555	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)c1cccc(F)c1	194534719	APGQBFRMLGLGDB-LDADJPATSA-N	358.372	4.590	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)c3nc4ccccc4[nH]3)cs2)cc1	194571504	WAHDARCZWDTMNY-XNTDXEJSSA-N	372.453	4.971	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/C(C)=C\c2ccccc2)c1C	211696109	RZKJEUPJKKORPJ-OIKHISIKSA-N	362.429	4.544	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	212132845	VYSIQSNOZSFDBI-VBKFSLOCSA-N	358.353	4.953	50	20	FJGD	
Cc1cc(C)cc(C2(C(=O)NNc3ccnc4cc(Cl)ccc34)CC2)c1	729514837	NJFHQHVTQXZHIB-UHFFFAOYSA-N	365.864	4.680	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)c(OC(F)F)cc1C	742435310	VOVPFUCBBUYIHE-ZSOIEALJSA-N	354.360	4.549	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(Cl)ccc2Cl)n1	753682111	BEOKXXOZOPLESK-BJMVGYQFSA-N	353.230	4.691	50	20	FJGD	
O=C(CCCc1csc2ccccc12)NNc1nccc2sccc12	755805208	XKQJVPJLUNOZFT-UHFFFAOYSA-N	367.499	4.977	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(F)c4cccnc34)n2)cc1	759119295	XVBDVPBYFIPDGS-LFIBNONCSA-N	356.360	4.797	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cnc(-c3ccccc3)s2)ccc1[N+](=O)[O-]	766777925	IAGAIGKYTKMDGL-OQLLNIDSSA-N	363.398	4.791	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(O)ccc2Br)c1C	769774153	QVAFNVIRAFZZHJ-ZSOIEALJSA-N	356.219	4.561	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccnc(Oc2ccccc2)c1	775633687	ZBNSHESWKQRGLT-UHFFFAOYSA-N	371.400	4.571	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2sc(-c3ccccc3C)nc2C)c1	775883886	GFDYPXLGMIIXQL-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
C[C@@H]1C[C@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCO1	776300486	ZRDCOMHQGHFYDQ-RULNRJAQSA-N	367.820	4.660	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)Cc1ccc(Cl)c(Cl)c1	777479463	MPWROAQGVGRTHP-UHFFFAOYSA-N	360.244	4.536	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccsc1Cl	790150999	BUQMBHGCIVJXIL-UHFFFAOYSA-N	361.879	4.597	50	20	FJGD	
COc1cc(NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1Cl	790189759	SZKVNSMOKIZSMT-SECBINFHSA-N	373.667	4.902	50	20	FJGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(Br)c(F)c1	790908422	KXXHVQQRLQKELI-UHFFFAOYSA-N	365.246	4.544	50	20	FJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791726539	IGWOTLAMNOARCG-PLNGDYQASA-N	370.305	4.904	50	20	FJGD	
Nc1c(Cl)cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1Cl	792517389	KSYVKTRLLPCENB-UHFFFAOYSA-N	365.047	4.639	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2cc(Cl)ccn12)c1cnc2ccccc2n1	794716377	ZWBUFECWQJOEOM-YRNVUSSQSA-N	366.211	4.648	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)c1ccc2ncccc2c1	794885677	VGJLNUSQOQIPFG-YBEGLDIGSA-N	363.214	4.787	50	20	FJGD	
O=C(NN=C1CCCC[C@@H]1C1=CCCCC1)c1nnc(-c2ccccc2)o1	814815634	FKNOWHWNWWRUBJ-QGZVFWFLSA-N	364.449	4.513	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CC2(F)F)c(C)n1C1CCCCC1	816421502	PNAVSWJQMWNAMH-STKCSNAVSA-N	362.420	4.716	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cn(-c3ccccc3)nc2C(C)C)cc1	819558747	DTXGOXUCKKWNNO-UHFFFAOYSA-N	362.477	4.876	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cccc(OCC(F)(F)F)c2)cc1	837052254	AEAVHYHLKZVSIW-UHFFFAOYSA-N	352.356	4.508	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnc2n1CCCCC2	857574328	JMFKHBYWSVBFKZ-UHFFFAOYSA-N	368.506	4.560	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(Cl)c3cccnc23)cc1	915370527	FOYUVYREBULXTD-BOPFTXTBSA-N	362.816	4.847	50	20	FJGD	
O=C(NCc1ccc(Cl)s1)NN(Cc1ccccc1)c1ccccc1	916593974	FFOFMSVNIRYXLC-UHFFFAOYSA-N	371.893	4.823	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCO3)c1	918712933	DCKJURXLCGWPKC-PXNMLYILSA-N	353.805	4.518	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1OC(F)F	918713675	MGPXOUOSGNPVFO-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccc2ccccc2c1	921258030	GCZRHCPIRGOBAY-UHFFFAOYSA-N	373.239	4.919	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cncs1	1317781037	XTWRYNFFYFGGAH-NSHDSACASA-N	352.790	4.615	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C)c(Cl)c2)c(Br)s1	1340376478	OWONJBYLDQHWBJ-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
O=C(NNc1ccncc1Cl)c1cc(-c2ccccc2)nc2ccccc12	154786879	NYYOOVCELJORJH-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(-c2ccccc2)cc1	155980714	WWIRKTDHGQXSSU-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1F	157205608	VDROEZCDFYILBI-WZUFQYTHSA-N	352.262	4.529	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)C(=O)NCc1ccccc1	213756153	TZGZFJZDCPPLJD-VBKFSLOCSA-N	362.429	4.778	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1	255319223	SANZCTLLTBVHJF-LCYFTJDESA-N	362.763	4.796	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	588506929	IFDKUCWXVXYLSP-ZHZULCJRSA-N	369.424	4.611	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1C	727827642	JYFUYULFHUUWJM-GHRIWEEISA-N	371.396	4.792	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cccnc3C)n2)c1	728785893	OWPUMEUBACFYPE-YVLHZVERSA-N	374.469	4.676	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3cnnc4ccccc34)sc2c1	733808969	PUWHXFIBEOFHSP-UHFFFAOYSA-N	368.849	4.563	50	20	FJGD	
C[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)c2ccc(F)cc2O1	742091959	KJNVOXHESTVMJZ-JSGCOSHPSA-N	355.500	4.654	50	20	FJGD	
C[C@H](CCC(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1	750424303	PECQGSDWZGQBMP-CYBMUJFWSA-N	352.356	4.612	50	20	FJGD	
Cc1cc(Br)cc(C(=O)NNc2ccccc2C(F)(F)F)c1	766332735	DTZDAWXEIURXOY-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)ccc1OC	773144818	NKOREVKAHDQIDO-NVNXTCNLSA-N	373.811	4.814	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1Cl	783682638	CFDNIRRFROUCJS-MDWZMJQESA-N	365.776	4.828	50	20	FJGD	
COc1cccc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	792549421	GPIDPODMFNILDJ-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)ccc1OC	810218454	JHILRXSJMBDICO-YBEGLDIGSA-N	355.821	4.927	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(-c2ccccn2)cc1	810331515	AKYLUYNIGBBASJ-UHFFFAOYSA-N	372.350	4.916	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(O)cc(C(F)(F)F)c3)n2)cc1	811627543	ZOVDXFRIBZRSGK-NSIKDUERSA-N	371.318	4.834	50	20	FJGD	
Cc1nnc(CN(C)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	822459899	AAESYLXGAMQELV-UHFFFAOYSA-N	372.319	4.699	50	20	FJGD	
O=C(NC[C@H](CO)CC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	822613900	VMIIDHPVFXDCHP-LLVKDONJSA-N	374.375	4.874	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccco2)C(C)C)c1C	914483759	HZIGUESKAKIOQI-DEDYPNTBSA-N	367.493	4.842	50	20	FJGD	
COc1ccc(-c2csc3nc(C(Cl)Cl)nc(O)c23)cc1OC	916623370	RQPJVTLHKXRIJF-UHFFFAOYSA-N	371.245	4.557	50	20	FJGD	
CC(C)(C)n1ncnc1CNCc1cccc(S(F)(F)(F)(F)F)c1	922103720	LBISDNRVGDJCQE-UHFFFAOYSA-N	370.391	4.980	50	20	FJGD	
COc1sc(/C=C(\C#N)C(=O)c2ccccc2C)cc1Br	1253374342	MASPZCASWFPVSU-YRNVUSSQSA-N	362.248	4.618	50	20	FJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)c2ccccc2)cs1	7155914	IJTJIQSMHXXRHH-SFQUDFHCSA-N	373.437	4.618	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1OCC(C)C	8238151	WTXMISYCYUNIDY-LICLKQGHSA-N	353.418	4.811	50	20	FJGD	
Cc1ccsc1/C=C(\C#N)c1nc(O)c2cc(Br)ccc2n1	25582444	WGSBUFDXVTWRKG-UXBLZVDNSA-N	372.247	4.532	50	20	FJGD	
Cc1ccccc1NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	75409525	GBMBMPWBFAVFGI-UHFFFAOYSA-N	360.417	4.520	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccc(F)c(F)c1F	127783615	SWFBRNJTEFWKQK-UHFFFAOYSA-N	360.788	4.626	50	20	FJGD	
O=C(NCC1(O)CCCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192262499	WENKITQNJPQTFU-UHFFFAOYSA-N	360.348	4.771	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccccc1OC1CCCC1)c1ccccc1	731931299	DTYWHUOUVVMYGI-FQEVSTJZSA-N	350.462	4.652	50	20	FJGD	
Cc1cc(NNC(=O)c2cc3ccccc3s2)ccc1Br	734253147	NNMBCKSNFUIFOM-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
CSC[C@H](C)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	736955424	HJYWEVXKMDDPJR-GZMMTYOYSA-N	372.865	4.779	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc2nc(C(F)F)[nH]c2c1	748017719	NXRDYJJWJHZLHB-UHFFFAOYSA-N	371.174	4.564	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc3ccccc3nc2Cl)cc1	748784899	KVDGIYJDKMJEHC-YVLHZVERSA-N	362.816	4.847	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc2cccc(F)c2o1	767407601	VCEIPRDCRPINFF-UHFFFAOYSA-N	357.143	4.775	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)C(=O)c1cc(F)cc(F)c1	772180511	YNNHVKDRWWCQSO-JYOAFUTRSA-N	355.237	4.913	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cc(F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]	774559207	FSZUZNCHKOTOJV-UUILKARUSA-N	366.270	4.825	50	20	FJGD	
N#C/C(=C/c1ccccc1Br)C(=O)c1ccc(Cl)s1	783686963	CFLGHGDVMZGNLJ-YFHOEESVSA-N	352.640	4.954	50	20	FJGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	807951311	POCCOIXGXCANGA-SSDOTTSWSA-N	365.692	4.556	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1	810197723	UEUFGZUQQWCRCK-DEDYPNTBSA-N	358.441	4.676	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1cccc(Cl)c1Cl	810198196	KQZBIOYLYOWVQE-ZROIWOOFSA-N	371.223	4.858	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(C2CCCCC2)cc1	817087144	PSLBSXGZXAOURC-UHFFFAOYSA-N	373.928	4.716	50	20	FJGD	
CC(C)(C)[C@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190472	PGLBIXPAISVWIG-NSHDSACASA-N	361.380	4.839	50	20	FJGD	
O=C(NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1)c1ccccc1	921253079	ISSHEMJHPZYOLJ-UHFFFAOYSA-N	352.340	4.521	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@H]2CCc3c[nH]nc3C2)c1	921837307	KMQHTTPGJKLJOS-LBPRGKRZSA-N	353.360	4.714	50	20	FJGD	
N#C/C(=C/c1cccc(OC2CCCC2)c1)c1nc(N)c2ccccc2n1	1115862639	BMMUHVWQAGDNPS-VBKFSLOCSA-N	356.429	4.598	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(C)cc3s2)cc1	5712970	NKAPMMSALGGPKU-RVDMUPIBSA-N	363.442	4.549	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(C)cc1C	7158615	FZUXOFIXYJESLD-CXUHLZMHSA-N	354.837	4.820	50	20	FJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	23217326	KCPDUSBIYRIBES-CLXYIWAZSA-N	363.417	4.503	50	20	FJGD	
Cn1cccc1/C=C(\C#N)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12	28942015	FTZWPVDNXSEQPA-OBGWFSINSA-N	365.436	4.974	50	20	FJGD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259237	SXGPSLQIBATYGC-GXFFZTMASA-N	374.375	4.969	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1Cl	207666581	VXKALLKOKWJFOH-YHYXMXQVSA-N	353.155	4.817	50	20	FJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21	211411700	GCAZBIFLPNXXOY-QINSGFPZSA-N	374.831	4.754	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)c3nc4ccccc4n3C)cs2)c1	229854001	HIJZYTLUTBQDKU-XNTDXEJSSA-N	372.453	4.770	50	20	FJGD	
Cc1csc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)n1	744312995	OYLMIXWWFJEDST-NVMNQCDNSA-N	371.506	4.566	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC)CC(F)(F)F)c1C	760771324	FWFWJQHMTLWFNL-KGZWWPETSA-N	369.431	4.659	50	20	FJGD	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)NNc1ccccc1	766834177	LFUCHONHWNSQRV-CHWSQXEVSA-N	351.372	4.524	50	20	FJGD	
Cc1cnc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)o1	770923261	BKZUDIFNWXDWBG-KLSKMWHSSA-N	369.465	4.659	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F	777915213	IKWXWSWFEFTRKR-YRNVUSSQSA-N	358.279	4.543	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3cc(Cl)ccn3)sc2c1	778447101	CBSGEYBOAKQHBC-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1OCc1ccccc1	781553928	ZSTRYGLYAFTPLQ-DEDYPNTBSA-N	361.441	4.940	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)c(C(F)(F)F)c1	794945265	YXBVNSOPRWEZPL-NTEUORMPSA-N	368.362	4.779	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ncc(-c2ccc(Br)cc2)[nH]1	794951368	DHWJWWVTQWYMFY-LCYFTJDESA-N	372.266	4.751	50	20	FJGD	
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N(C)CC(Cl)Cl	848082323	FCSXFRCVVDUTPJ-UHFFFAOYSA-N	371.333	4.653	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)c1	916978257	LOSPXNPFRLCYCJ-QGZVFWFLSA-N	361.445	4.595	50	20	FJGD	
Cc1ccc(NCC(=O)NN=Cc2ccccc2-c2ccccc2)c(C)c1	917539309	CMWSUEHKSXDQAD-UHFFFAOYSA-N	357.457	4.533	50	20	FJGD	
Cc1ncc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)s1	918533179	YBZXFMHHUAPTFK-GIJQJNRQSA-N	371.506	4.566	50	20	FJGD	
Cc1ccc(COc2ccc(C=NN(C)C(=O)OC(C)(C)C)cc2)cc1	920381370	PLUIRKWWYRCCCR-UHFFFAOYSA-N	354.450	4.775	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3ccccc3Cl)o2)cc1	1118062926	LXPFFFPHLCGNOU-SDNWHVSQSA-N	351.793	4.853	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1c[nH]c2cc(F)ccc12	55040052	NRTNYRQAHRALOS-GXDHUFHOSA-N	363.392	4.680	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc(Cl)c1O	63413021	BHXXAEGQWQAWQY-MLPAPPSSSA-N	366.804	4.634	50	20	FJGD	
Cc1ncsc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	128571917	NMVHFFSMROTCCX-GFCCVEGCSA-N	366.817	4.923	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)Oc1ccccc1	175622195	HDDRMILJLQLRKH-CQSZACIVSA-N	354.475	4.791	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)c(Br)c1	588580289	JZIMEMWGZNCRCM-ZROIWOOFSA-N	350.219	4.765	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1	726118353	MWNKALCYPJYSON-XMHGGMMESA-N	370.456	4.847	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC(C)(C)CC2)ccc1OCCC(C)C	735972385	ACULRYRARFAXTJ-UHFFFAOYSA-N	360.498	4.806	50	20	FJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccc(Cl)cc2Cl)s1	748007762	AARZIRNJZUELDK-FNORWQNLSA-N	370.305	4.904	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1COc2c(Cl)cccc21	758179613	RZGOZNDBSUKSES-SMDDNHRTSA-N	357.928	4.604	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCCBr)c(Cl)c1	763114985	XASZXGSNBGUNKM-JYVXZMADSA-N	370.674	4.636	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1SCc1ccco1	771706338	ICTSOSKQOKMVIL-UHFFFAOYSA-N	356.422	4.776	50	20	FJGD	
N#C/C(=C/c1cscc1Cl)C(=O)Nc1ccccc1Br	771838345	OXHSFUABFMBENR-UITAMQMPSA-N	367.655	4.710	50	20	FJGD	
N#C/C(C(=O)c1ccc(F)c(C(F)(F)F)c1)=C1\COc2ccc(F)cc21	773162052	SUJJGGJSIXGYNU-SEYXRHQNSA-N	365.257	4.536	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Cl)c2ccccc2n1	773751823	OBKULUDEYZUEMB-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](COc2ccccc2)C1	780023250	LRLJBBSILKDPIW-AEFFLSMTSA-N	365.564	4.628	50	20	FJGD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H](Br)C(C)(C)C	781073790	PBVQBQMXIDOJLF-NHYWBVRUSA-N	352.272	4.762	50	20	FJGD	
C[C@@H]1C(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CCC[C@H]1C	781114086	KTMAVGIRKRNUJN-CVEARBPZSA-N	372.472	4.839	50	20	FJGD	
C[C@H](c1ccc(Cl)cc1)N(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	787087728	DJNSXUSXVCZVSG-RFRKOGIWSA-N	366.848	4.705	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)Nc1ccccc1Cl	788099651	SBDPVMLOIIPLEF-DHZHZOJOSA-N	355.806	4.602	50	20	FJGD	
CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H](O)c1ccccc1	790399908	HUSMWHOHKDPOPZ-NZSAHSFTSA-N	367.580	4.575	50	20	FJGD	
CCc1c(NC(=O)[C@@H](Br)C(C)(C)C)cnn1C(CC)CC	791618556	LCMIKUCFSUDDMI-CQSZACIVSA-N	358.324	4.555	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(-c2nc3ccccc3s2)o1	797345281	NWGUEQYYYCOADW-OWBHPGMISA-N	365.458	4.770	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(-c2cnn(C)c2)c1	801648438	ZCDHWARUPKWMLY-ODLFYWEKSA-N	370.456	4.558	50	20	FJGD	
CSCc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	803593242	PSPHJDZAKNKPMG-MRXNPFEDSA-N	355.594	4.880	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Nc3nc(C)cs3)cc2)c1	810682644	IKQKIZYXOONFKX-UHFFFAOYSA-N	352.463	4.569	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1CC(c2ccc(F)cc2)C1	815870823	PAIRYCKFVYTZKC-UHFFFAOYSA-N	370.321	4.621	50	20	FJGD	
CCOc1ccc(NNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1	836389212	ZOMYMMWQOQWZQZ-CQSZACIVSA-N	370.478	4.628	50	20	FJGD	
COc1ccc(-c2ccccc2C)cc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	840720339	PQBYTIZYSTZDDE-JZQBQCRLSA-N	361.441	4.573	50	20	FJGD	
NCC[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190468	PFHXHJSXDBGYOR-NSHDSACASA-N	373.391	4.937	50	20	FJGD	
O=S(=O)(NCC1=CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	851826671	UBFHLLXAXPSVGS-UHFFFAOYSA-N	363.373	4.733	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)cc(Cl)c1OC	14178856	LRJDQGIADMGCQA-NTEUORMPSA-N	363.841	4.530	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2c(Cl)cccc2C1	124218791	BEKGUWOIYWTSJX-CQSZACIVSA-N	355.956	4.939	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1c(C(C)C)nn(C)c1Cl	128045590	VMXCPPMBOVBUJD-LCYFTJDESA-N	366.852	4.777	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	154644555	GOLOJLORLBJEHV-JKSUJKDBSA-N	367.449	4.629	50	20	FJGD	
C[C@@H](C#N)Oc1ccccc1NC(=O)CCCC[C@H]1CCSS1	180354014	UMGDBDNKHFLWHF-KBPBESRZSA-N	350.509	4.630	50	20	FJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCOC1	277505579	VTIFHPSTCBAHGS-VHSXEESVSA-N	360.348	4.891	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)s1)C(=O)NCc1ccco1	732575155	TYQXLIKVFCSULW-GXDHUFHOSA-N	368.845	4.885	50	20	FJGD	
O=C(NNc1nccc2sccc12)C(c1ccccc1)c1ccccc1	734248701	ZSAROGWBLHPDKI-UHFFFAOYSA-N	359.454	4.572	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(N(C)C)c(F)c1	748673052	UKXZCEYPTACWEL-UHFFFAOYSA-N	371.481	4.842	50	20	FJGD	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccncn1	758913001	OYCNMVQLQUYEFX-GZTJUZNOSA-N	369.453	4.514	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCC1(c2ccc(F)cc2F)CC1	761621208	FMOSKLLURXBLQE-CQSZACIVSA-N	371.518	4.827	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1ccc(F)c(Cl)c1Cl)c1ccccc1	761814943	DPNRJEIQERJEMO-CYBMUJFWSA-N	353.224	4.776	50	20	FJGD	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@H](Br)C(C)(C)C)C1	768197970	IKQAMMFEJUFOIX-UGFHNGPFSA-N	356.279	4.545	50	20	FJGD	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NNc1ccccc1	769977443	NMSNKMBHLLTETB-UHFFFAOYSA-N	358.401	4.808	50	20	FJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(F)c1Cl	790003212	XMXRAODNBXBZEV-UHFFFAOYSA-N	364.701	4.702	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1CCC(F)(F)F	799758861	BRHQTDIEULPPPP-UHFFFAOYSA-N	350.384	4.809	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cccc(NCC(C)(C)C)c2C)cc1	832862048	NGWWDSPDTRNIEZ-UHFFFAOYSA-N	355.482	4.609	50	20	FJGD	
CCOc1ccc(NNC(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1	836449993	IEZOGAIRCILVHV-UHFFFAOYSA-N	367.371	4.729	50	20	FJGD	
CO[C@H](C)c1nc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)cs1	844346680	CHDDEQFVWUPEKA-GDBMZVCRSA-N	370.635	4.837	50	20	FJGD	
Cc1cc(C)c(C=NNC(=O)COc2ccccc2-c2ccccc2)c(C)c1	916294478	BPPZRQGLTXBSJH-UHFFFAOYSA-N	372.468	4.808	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1cc3ccccc3o1)O[C@@H](C)C2	916545804	ZDRQAZLOEIUYKX-KCXFFNSDSA-N	359.381	4.555	50	20	FJGD	
O=C(CCNc1ccccc1)NNc1c(Cl)cc(Cl)cc1Cl	1317792632	CEUQNPMZTLNOMC-UHFFFAOYSA-N	358.656	4.592	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2F)c1C	27970839	DEGKJHQDVJCLPY-LDADJPATSA-N	353.441	4.898	50	20	FJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1	33499145	YGHGLTFEQLGUGD-ZROIWOOFSA-N	371.767	4.697	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2cc(Cl)ccc12	40140004	YHKAZAIRLIESGG-GHXNOFRVSA-N	351.749	4.519	50	20	FJGD	
CC(C)c1c(C(=O)NNc2ccc(F)cc2)cnn1-c1cccc(Cl)c1	45143334	WBTGGLRYRPDVCC-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1SC	63866940	OMANEUMEUBUPJE-YBEGLDIGSA-N	352.459	4.580	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1	120657213	SIBKFDNCDGYQFE-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
COCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1	171686571	MHCOUJGTKIMFKX-NTCAYCPXSA-N	369.371	4.521	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)c1nc2ccccc2n1C	186856716	DASJRXPFCZQHCV-XMHGGMMESA-N	366.424	4.708	50	20	FJGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(=O)c3ccc(C(C)(C)C)cc3)ccc21	186858207	APGKHSDAUWJUNV-XMHGGMMESA-N	372.468	4.683	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c1F	195502795	YBMKJPLGVNWNAJ-DHZHZOJOSA-N	350.176	4.931	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	732575136	SRMHHLQHOBVWRN-FCHUYYIVSA-N	358.441	4.512	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1Cl	741467598	BBVPWSVLLBTWRB-NTEUORMPSA-N	350.809	4.549	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(Oc2ccccc2)o1	748692830	GIOXASGCLPZLFO-UHFFFAOYSA-N	362.307	4.848	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(OCCBr)c(Cl)c1	763114572	PSSYZMKWHICCMN-MDWZMJQESA-N	370.674	4.636	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)cc1OCc1cccnc1	766489427	DZQYVJGWHZWXEM-YLRSXTQRSA-N	364.445	4.581	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	767718234	RFFJXQNPWXIICD-VZUCSPMQSA-N	350.727	4.611	50	20	FJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1	767905128	LFJPQHJVGBADCA-HWEIIANTSA-N	369.465	4.551	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)c1ccccc1OC(F)F	776193729	ULDAGGBPSKKADP-UVTDQMKNSA-N	366.323	4.733	50	20	FJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1c(F)cccc1Cl	793839552	UYWMDQUVFZCZRH-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797405966	MPTPXWXFJJRPPF-ZROIWOOFSA-N	364.474	4.903	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1c(Cl)cccc1Cl	807079762	SXPVXYIXMFDRIA-GFCCVEGCSA-N	374.271	4.864	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1	810216394	ITFKRMZDWVDNFY-OWBHPGMISA-N	369.446	4.537	50	20	FJGD	
CC(C)c1ccc(NNC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1	838481028	VXBVRFREIJHPCX-OAQYLSRUSA-N	367.493	4.604	50	20	FJGD	
C[C@H]1c2nncn2CCN1Cc1cccc(S(F)(F)(F)(F)F)c1	893989001	GHDYTXSTGWVVAR-JTQLQIEISA-N	354.348	4.512	50	20	FJGD	
Cc1ccsc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl	916254822	PMAHXTRZVXOEGB-UHFFFAOYSA-N	371.289	4.673	50	20	FJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(-c2cccs2)cc1F	917539761	QPYCOXABPNJISG-UHFFFAOYSA-N	372.852	4.900	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)c1ccccc1F	921266194	WQKJNINYDPHUGJ-WDZFZDKYSA-N	350.176	4.931	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1	131901760	PIOBDVOCIVYRRU-LBPRGKRZSA-N	359.351	4.500	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)c1C	212097365	OCNMERTUHVUNEC-PDGQHHTCSA-N	366.461	4.712	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)c2nc(C(=O)OCC)cs2)cc1Cl	727267424	TYIPSIGHHHUOLP-MDWZMJQESA-N	374.849	4.602	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(Oc2ccccc2)cc1	728694589	CFFKFHIZPMFBQP-IZZDOVSWSA-N	352.821	4.810	50	20	FJGD	
Cn1nc(CC(C)(C)C)cc1NC(=O)CCCC[C@H]1CCSS1	731024544	FEZDQDZARMWQKJ-AWEZNQCLSA-N	355.573	4.661	50	20	FJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)s1	731158860	KKJWALKCNMJJCS-VQHVLOKHSA-N	352.278	4.924	50	20	FJGD	
CCCOc1ccc(-c2nc(C(=O)NNc3cccc(C)c3)cs2)cc1	731784076	DJBKLJDAUQKLEX-UHFFFAOYSA-N	367.474	4.664	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC[C@H](C3CC3)C2)ccc1OCCC(C)C	737423278	SDYSTHQSLQWJBT-KRWDZBQOSA-N	372.509	4.806	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(Oc4cnccn4)cc3)[nH]c12	743056160	QOMGXQGUZUZXHR-LFIBNONCSA-N	353.385	4.518	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)c1c[nH]c2cc(Cl)ccc12	749358519	RXYHJDBTXBBPED-OVCLIPMQSA-N	360.800	4.930	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccccc1CCC(F)(F)F	760151583	GVUUOQTXCPVHOB-UHFFFAOYSA-N	365.380	4.548	50	20	FJGD	
C=CCCC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	761364481	TWKQOUMMSFSCOF-UYRXBGFRSA-N	368.477	4.596	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1C[C@@H]1c1ccc2ccccc2c1	777465330	KPRCOKYGTUWAHL-UXHICEINSA-N	353.425	4.635	50	20	FJGD	
C=CCC[C@H](C(=O)NNc1ccccc1Br)c1ccccc1	779008046	BZGRNZXVUFCXNC-HNNXBMFYSA-N	359.267	4.642	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1c(Cl)cccc1Cl	782181318	XSHFYJBDWFNIBJ-SOFGYWHQSA-N	353.186	4.753	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1ccc(C)cc1C)=C\c1cccc([N+](=O)[O-])c1	787170084	VIMHAWUSRKGYMU-APPSXPISSA-N	361.401	4.704	50	20	FJGD	
C[C@H](C=NNC(=O)c1cccc2ncccc12)c1ccc(C(F)(F)F)cc1	789004814	XPEKHWUZXUXFGW-CYBMUJFWSA-N	371.362	4.773	50	20	FJGD	
CSSCCNC(=O)c1sc(-c2ccc(Cl)s2)nc1C	791151767	CKIHXNJNCZNVSW-UHFFFAOYSA-N	364.970	4.574	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC3(CC2)CC3)ccc1OCCC(C)C	792627921	KASRABHGDNBXBV-UHFFFAOYSA-N	358.482	4.560	50	20	FJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=C3CCC34CCOCC4)cc2C1	799871571	AOCSFELHMBZYRG-HNNXBMFYSA-N	374.550	4.576	50	20	FJGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)c1cc2c(s1)CCCCC2	799873064	KGXJJGBWIRLYPF-HNNXBMFYSA-N	367.518	4.856	50	20	FJGD	
Cc1nc(NC(=O)NNc2ccc(F)c(F)c2F)ccc1-c1ccccc1	810274590	VONQQFOZXMRVJH-UHFFFAOYSA-N	372.350	4.623	50	20	FJGD	
C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	817313734	UEQLGHOJMKQDBD-GHMZBOCLSA-N	374.375	4.826	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)C(=O)c1ccccc1F	915987227	ZJSSFMAZAPPLQH-PDGQHHTCSA-N	358.372	4.590	50	20	FJGD	
CC(=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(C)sc1C	917029452	JJVSCRCZDXFXNB-UHFFFAOYSA-N	373.478	4.782	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1c[nH]c3cc(C)ccc13)O[C@@H](C)C2	920067747	AIYSESTWXWLESR-RHUPODBASA-N	372.424	4.598	50	20	FJGD	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	6209446	JCRDMRJYYFIGCY-DHZHZOJOSA-N	350.415	4.917	50	20	FJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)c1ccccc1F	7119021	HKAJBWHEMMIJEQ-NTCAYCPXSA-N	373.412	4.992	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=C/C=C\c1ccccc1	254411293	APRDLWTXAVMNSB-DIHRPGBFSA-N	356.425	4.548	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NNc2ccc(F)cc2)cc1OC	301237330	CHFUGIMCDKQCNR-UHFFFAOYSA-N	360.429	4.550	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2nc(-c3ccccc3)cs2)c(C)c1	726876535	SYEFELCWUZJKAG-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)cc1	734305134	JHTYZTVBWSJPDF-SFQUDFHCSA-N	360.388	4.618	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CCC(C)(C)C)c1C	736052911	MJIJZMAVGNNQNA-USDANLMPSA-N	373.541	4.550	50	20	FJGD	
CC[C@H](CC(=O)NNC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1	738555866	MNYPKBXGBMMZCC-QGZVFWFLSA-N	369.534	4.513	50	20	FJGD	
O=C(NN=Cc1cc(Br)ccc1F)c1cccc2ccccc12	741462849	PLLZIJFEQUKWSE-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1	741468314	FCALNUDXTJJXPS-JMRXEAOASA-N	361.367	4.803	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1c(O)ccc2c1CCCC2	743715656	ABTTZVMOJOSBHQ-OAHLLOKOSA-N	365.564	4.601	50	20	FJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1sc2ccccc2c1Cl	744747102	VOGKLZRTYNTIHW-UHFFFAOYSA-N	363.269	4.901	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccccc1Oc1ccccc1	746703292	PJCUCFBBXMWVFA-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1Cl)c1ccc(Br)cc1	748305510	ANANNLSOCVNRIS-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)s1	758414283	BIHXYBZUSBDYKK-WDZFZDKYSA-N	365.380	4.831	50	20	FJGD	
O=C(CC1CCSCC1)NNc1c(Cl)cc(Cl)cc1Cl	761784521	DYFKNHDERCLXSS-UHFFFAOYSA-N	353.702	4.623	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc2ccsc12	768310421	BNFNLUYMPIEPIR-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNc1ccccc1Cl	770026958	KNKGOXNZQGEMPR-UHFFFAOYSA-N	374.872	4.782	50	20	FJGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773152639	RTFJTQLGTRUYKF-ZROIWOOFSA-N	374.293	4.537	50	20	FJGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1cccc(OC(F)F)c1	783845456	GZQRTVBDYMGFFE-UHFFFAOYSA-N	364.779	4.605	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H](C)c1ccc(C)o1	787265928	IQQHXDHWLMQLDS-APVMCDBPSA-N	352.434	4.591	50	20	FJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)c1cc2ccccc2s1	788359984	GLALEAOSRUIOGU-NTUHNPAUSA-N	363.829	4.992	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(Cl)nc2cc(Cl)ccn12	794697300	DGRQHWDXUBBPTD-UXBLZVDNSA-N	362.241	4.801	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	794939578	RWKBEDKUEUFWSV-OQLLNIDSSA-N	365.772	4.663	50	20	FJGD	
CC(C)c1scnc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	810020462	PYBNJNRHEHLKQK-UHFFFAOYSA-N	364.685	4.984	50	20	FJGD	
CC(C)(C)Oc1cccc(CNCc2ccc(OCCCCl)cc2)n1	811486082	IOVBWHBXWQPWMC-UHFFFAOYSA-N	362.901	4.556	50	20	FJGD	
O=C(NN=C1CC[C@@H](Cc2ccccc2)C1)c1cc2ccccc2cc1O	814694275	CLMQUMMHVTZVGL-KRWDZBQOSA-N	358.441	4.674	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	821048749	FYYXCTYOCCMPFL-UHFFFAOYSA-N	372.444	4.576	50	20	FJGD	
C[C@]1(CNC(=O)N(c2ccccc2)c2ccccc2)C[C@H]1Br	856754737	MQYHQDMCIJLLIS-SJLPKXTDSA-N	359.267	4.708	50	20	FJGD	
Cc1cc([C@@H](C)NC(=O)NNc2ccccc2C(F)(F)F)c(C)s1	918213098	NRCXDCLTIPWPHB-SNVBAGLBSA-N	357.401	4.771	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1	1338071388	HPCCMEIKUQXFQQ-FRQCXROJSA-N	364.327	4.724	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1OC(F)F	7157320	COZIOTKPRXAGCL-LZNAANCOSA-N	370.399	4.689	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3ccc(F)cc3)cs2)c1	170968337	MNOBGUNMYAWKAT-OQLLNIDSSA-N	364.401	4.748	50	20	FJGD	
COC[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	192260302	SNLLHEAIEBZOHE-GFCCVEGCSA-N	360.348	4.891	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccn1	211372204	XDASZDNUWQQKFE-XFXZXTDPSA-N	351.749	4.967	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c2)oc1C	588431732	MARRGFDDVDKVHC-LICLKQGHSA-N	361.376	4.643	50	20	FJGD	
COc1ccc(NNC(=O)CSc2cccc3cccc(Cl)c23)cc1	729273329	LTIPJGPFTGZCHA-UHFFFAOYSA-N	372.877	4.737	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)c3ccc4c(c3)OCO4)s2)cc1	734304598	PIMDJAXZGWIOCH-LZYBPNLTSA-N	374.421	4.637	50	20	FJGD	
C[C@H]1c2ccc(F)cc2CCN1C(=O)CCCC[C@H]1CCSS1	737965809	UCQXDTULXGPYQR-BBRMVZONSA-N	353.528	4.986	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1ccccc1	744843529	OFYINLCYXWBENB-SDXDJHTJSA-N	364.408	4.547	50	20	FJGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1cccc2cccnc12	747357705	VKSOZVFONSDQMA-UHFFFAOYSA-N	357.438	4.727	50	20	FJGD	
C#C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCCO1	752982015	WAJCXKQORJENQI-OLZOCXBDSA-N	370.343	4.646	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(Cl)c1	753298726	XYINAHILYKHNPA-SECBINFHSA-N	368.651	4.765	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)c(C(F)(F)F)c2)n1	755404695	ARZTWWMIOMBIKM-BJMVGYQFSA-N	370.327	4.542	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)nc2)cc1	758417286	UXGLQQMBOZYCSF-LCJWNIEWSA-N	374.488	4.741	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cnc(C2CCC2)s1	760209968	GBWBKOISDWTSLK-JYRVWZFOSA-N	357.866	4.918	50	20	FJGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)c1ccc(Cl)cc1F	761809940	KMPGTVAFTLYULW-UHFFFAOYSA-N	363.578	4.689	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc2nc[nH]c2n1	762748553	QGSSJXYHFKZWQH-UHFFFAOYSA-N	364.299	4.868	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2cc(F)ccc2s1	767226699	LORSRPIEXWLETL-UHFFFAOYSA-N	371.824	4.999	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c1OC(C)C	774560005	UVJBEEITQLPCKK-BOPFTXTBSA-N	352.390	4.763	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)c1nc2ccccc2n1C(F)F	794937408	INSIOQRWCZAESL-RIYZIHGNSA-N	367.355	4.811	50	20	FJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797406784	JSJDQKGOEXZYKC-QPEQYQDCSA-N	358.463	4.531	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1	812245304	QILCGMQRIMFIHT-XCVCLJGOSA-N	353.687	4.726	50	20	FJGD	
O=C(NOCCC1CC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	814539827	IEHVGWATMNPMEP-LBPRGKRZSA-N	368.808	4.759	50	20	FJGD	
CCOc1ccc(NNC(=O)Nc2ccccc2CCC(F)(F)F)cc1	836452327	ZOZQIFMYXCDLCD-UHFFFAOYSA-N	367.371	4.729	50	20	FJGD	
C[C@H](Cc1cnn(C)c1)NCc1cccc(S(F)(F)(F)(F)F)c1	840893464	NVZSZWCNFPXXNU-LLVKDONJSA-N	355.376	4.798	50	20	FJGD	
CNC[C@H]1CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191505	ZTYWCTJQVLKBCI-LLVKDONJSA-N	359.364	4.560	50	20	FJGD	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	871597731	WQVYJXOXKXSWQB-ODLFYWEKSA-N	363.461	4.509	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)c1C	917619478	LDULSTJQHWHCDW-JXAWBTAJSA-N	365.477	4.888	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccoc2)c1C	918664456	DMPREUOEEKIPIB-CIAFOILYSA-N	373.456	4.561	50	20	FJGD	
CN(c1ccccc1)c1ccc(C=NNC(=O)c2ccccc2Cl)cc1	1084597159	SHRRTEPCMQWTDO-UHFFFAOYSA-N	363.848	4.872	50	20	FJGD	
CC(C)(CF)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	1320342786	SEJYIUJMNJZUSK-JTQLQIEISA-N	358.788	4.776	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-c2cccs2)s1	1325202243	VSZAFAULGLMINT-UHFFFAOYSA-N	354.378	4.651	50	20	FJGD	
N#C/C(=C/c1ccc(C2CCCC2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129181	UNLRFHNXXUBKDN-UYRXBGFRSA-N	360.413	4.588	50	20	FJGD	
Cc1ccc(C)c(-n2nc(C)c(/C=C(\C#N)C(=O)c3ccco3)c2Cl)c1	8200826	YZGAOOWZIQVZJS-XNTDXEJSSA-N	365.820	4.834	50	20	FJGD	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCCC[C@@H]1CCSS1	11385402	WYSXXFFJFWOMST-HUUCEWRRSA-N	367.536	4.579	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3c[nH]nc3C(C)(C)C)n2)cc1	63278999	ARZHQIOQQLHJCM-NTEUORMPSA-N	364.474	4.903	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(O[C@H](C)C#N)cc3)c[nH]c2c1	103250650	GFSYOJKJVXJOOB-DISPHTKASA-N	355.397	4.557	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(C)c1OC(F)F	211451810	COZIOTKPRXAGCL-JQFNYASXSA-N	370.399	4.689	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc3ccccc3c2)c1C	730698776	FZSRQUZETMIEKK-MTJSOVHGSA-N	373.456	4.714	50	20	FJGD	
C[C@H]1CN(C)c2ccccc2N(C(=O)CCCC[C@H]2CCSS2)C1	742093123	YZRVEQBICOPSQS-HOTGVXAUSA-N	364.580	4.820	50	20	FJGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1ccc(Cl)cc1Cl	748018553	FAPJXGRJYPPDTE-BQYQJAHWSA-N	364.257	4.760	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1cccc(Cl)c1Cl	748993589	ALYYPYOHWKLNSQ-POHAHGRESA-N	352.608	4.587	50	20	FJGD	
COc1ccc([C@H]2CCN(C(=O)CCCC[C@@H]3CCSS3)C2)cc1	749857051	AHXJXWQQPRFLKC-FUHWJXTLSA-N	365.564	4.725	50	20	FJGD	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1OC	751443415	JFWRMGHCQRMQRO-PDGQHHTCSA-N	372.424	4.711	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(CCC(F)(F)F)c1	752526164	NHZPMIJGTQQZAZ-GDNBJRDFSA-N	362.326	4.866	50	20	FJGD	
C[C@](O)(CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	752977791	WSHIORNQBGFSDG-ZDUSSCGKSA-N	360.348	4.627	50	20	FJGD	
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	753928463	ABUQYIVNTZNAAR-QWRGUYRKSA-N	374.375	4.969	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=C3CC(C(F)F)C3)cc2C1	766015463	MCUDFVAIBODOGR-PIJUOVFKSA-N	354.466	4.660	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	776725336	JRYSGSBGJJLHIT-YRNVUSSQSA-N	372.209	4.963	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(C(=O)OC(C)(C)C)c1	777870691	GQUCLWKZDRUPAQ-WJDWOHSUSA-N	353.443	4.802	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1	791715553	GTGDWXZMCCBXPM-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccc(C(F)(F)F)cc3)csc2c1	795192461	CAARXIMNQOKRBQ-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
Cc1c(C(=O)NNc2nccc3sccc23)sc2cc(F)ccc12	806863284	DEZWJQAGGWXVOO-UHFFFAOYSA-N	357.435	4.715	50	20	FJGD	
COC[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(Cl)c1	809235236	VVKCDRMDBLYYQR-JKSUJKDBSA-N	373.971	4.858	50	20	FJGD	
COc1ccc(F)cc1[C@@H](C)NCc1ccc(OCCCCl)cc1	811475243	YNMIYCWYQISRSG-CQSZACIVSA-N	351.849	4.693	50	20	FJGD	
CC(C)(C)c1cnc(C=NNC(=O)c2c(Cl)cccc2Cl)s1	814833974	NODAPQJSKVXRDH-UHFFFAOYSA-N	356.278	4.511	50	20	FJGD	
CCC(CC)Oc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	827180473	IBPAARKKCSYQOC-UHFFFAOYSA-N	364.392	4.612	50	20	FJGD	
N[C@@H]1CCC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189999	KYUWMLNHKVZHJK-ZJUUUORDSA-N	359.364	4.735	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2c(Cl)nc(OC)n2C)CC1	1116120176	RWDBVRPHHHUDLT-PTNGSMBKSA-N	363.889	4.555	50	20	FJGD	
Cc1ccc(NNC(=O)c2c(-c3ccccc3C)noc2C)cc1Cl	1321236490	SGLPFORZGDRKJK-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)c(C)c1	7160207	IUFGEVNUCXXDDN-QGOAFFKASA-N	368.440	4.718	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cc(F)cc(F)c2)c(C)n1CC(F)(F)F	158774166	WFYVOKSOIHZUCG-YIXHJXPBSA-N	368.305	4.735	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	171989383	SIAWMPUJAMSYOQ-RIYZIHGNSA-N	369.323	4.833	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1occc1CSc1ccccc1	184289974	WHJBZRKRZXVLHP-UHFFFAOYSA-N	356.422	4.776	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccc(OCCCC#N)c1)c1ccccc1	188579146	BBOVWJLVIQLOCY-QDUHJBTASA-N	373.456	4.544	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)c1cnc2ccccc2n1	191360393	QRDLVOFLDLHCMU-QGOAFFKASA-N	364.408	4.668	50	20	FJGD	
Cc1ccc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	206923838	WLAPVRODXGRAQU-XEMYWUMJSA-N	352.484	4.998	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccsc2)cc1OC	255133266	CYWJHAKSQXRQBE-AUWJEWJLSA-N	361.850	4.989	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)Nc1ccccc1Cl	728592640	APZCULFRUKBCKY-UHFFFAOYSA-N	354.635	4.560	50	20	FJGD	
Cc1ccc(-c2ccc(C=NNC(=O)CCc3ccccc3O)s2)cc1	729934355	HCVILVVRSQURGZ-UHFFFAOYSA-N	364.470	4.512	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F)C1CCCCC1	733207499	ZFBRTZQMISJSPT-UKTHLTGXSA-N	354.347	4.543	50	20	FJGD	
Cc1ccc(C)c(OCCCCC(=O)NNc2nccc3sccc23)c1	734249295	RIXOPPYWQTXZQR-UHFFFAOYSA-N	369.490	4.606	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cncc(-c2ccc(Cl)cc2)c1	749273603	OZWIKIWSWXRMAR-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)nc(-c2ccc(Cl)cc2)n1	751583850	FAGRNTXLJFJQAA-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
C[C@H]1COCCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978184	KIHWJWSBGYNUQE-JTQLQIEISA-N	360.348	4.987	50	20	FJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1ccc(Cl)nc1	755831313	VMXKSVUVHMGXHN-UHFFFAOYSA-N	364.685	4.569	50	20	FJGD	
C/C(=C\C(=O)NNc1c(F)cccc1Cl)c1ccccc1OC(F)F	770196687	DAEONFVLPLMTPP-MDZDMXLPSA-N	370.758	4.627	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2ccc3ccc(Br)cc3n2)n1	771522122	XNTOLRIHSNSGSH-WUXMJOGZSA-N	356.248	4.826	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1OC	773148873	FGRNQBCQDHRWQQ-MDWZMJQESA-N	359.784	4.676	50	20	FJGD	
C=CCC[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	779013006	XIJVTACZDSBNLC-KRWDZBQOSA-N	373.378	4.770	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNc1ccnc(F)c1	781359353	KPDMLUJNEZMSNV-VURMDHGXSA-N	373.840	4.759	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(\C#N)C(=O)C1CCCC1	781553595	BPGGIHRPEZNFKC-MDWZMJQESA-N	350.281	4.837	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc4cnccc4c3)nc(O)c2c1C	782303556	MOVKLUKQJYHAHM-LZYBPNLTSA-N	358.426	4.626	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)c1nc(-c2ccc(C)cc2)no1	787167565	DCESHNWNCUASPR-UVABGONOSA-N	372.384	4.964	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H]1c1cccc(F)c1F	791734647	NHFMFMOJHCTVFF-QWHCGFSZSA-N	357.187	4.518	50	20	FJGD	
COC(=O)CC(C)(C)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792874170	UYCLBZRWTHKQCJ-UHFFFAOYSA-N	365.590	4.640	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2ncccc2c1	794885270	PZNWKLUVGQNBNM-MHWRWJLKSA-N	368.314	4.923	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1cccnc1	797787300	KLICXRFNRHXZBO-AWEZNQCLSA-N	372.683	4.925	50	20	FJGD	
O=C(NN=C1CCC12CCC2)c1ccc(COc2ccc(Cl)cc2)cc1	799867012	DNKSFSKQILOQAB-UHFFFAOYSA-N	368.864	4.969	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)c1cc(C(F)(F)F)ccn1	812248274	INMGLSUXIGZLNM-KMKOMSMNSA-N	352.699	4.547	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2ccc(F)cc2nc1C	812764976	QONAWOKBFDSDKV-UHFFFAOYSA-N	351.425	4.871	50	20	FJGD	
Cc1coc(C)c1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016825	MTSNJIURUVWYFX-UHFFFAOYSA-N	366.261	4.691	50	20	FJGD	
O=C(CSC1CC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	839235427	HHDORIUZOICTAM-LBPRGKRZSA-N	355.834	4.740	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)o1	840722542	LNAVFUKCHCZPGY-FVLHSZHDSA-N	371.820	4.589	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3n2)c1C	843146174	DIMKHULDZYZNBE-UYRXBGFRSA-N	358.445	4.609	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1	857490433	GOKKRJYQUTYPHB-UHFFFAOYSA-N	370.456	4.708	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1	915292154	RCIIEQFWYIWDTD-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
O=C(NN=Cc1ccc[nH]1)c1ccc(COc2ccc3ccccc3c2)cc1	916592735	XDARUFJYLPILHL-UHFFFAOYSA-N	369.424	4.511	50	20	FJGD	
Cc1occc1CNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	919855236	LWPLKOSDWHLNTQ-UDWIEESQSA-N	365.477	4.735	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc(Br)cc3)oc12	919965870	UCJZFCBADTXCHC-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(CO)C2	1551793514	XLPCKIAVSZDIOV-STQMWFEESA-N	371.371	4.720	50	20	FJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1	1787662685	LTBIPKWDUVTYHZ-KRWDZBQOSA-N	364.917	4.574	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	63279022	FYRPBVGBFGIVOM-WQRHYEAKSA-N	356.454	4.812	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCc2cccnc2)s1	170933473	FRJJMJKCVKZNSF-WOJGMQOQSA-N	360.438	4.820	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1OC	215922291	SXTHIGCIHCEIDR-AQTBWJFISA-N	372.424	4.793	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)CCO4)n2)cc1	255520403	KNWIKWNUZWMCOA-GZTJUZNOSA-N	360.438	4.818	50	20	FJGD	
O=C(CCCCCc1ccc(O)cc1)NNc1ccccc1C(F)(F)F	729517521	QACRVHGRNUOQSS-UHFFFAOYSA-N	366.383	4.657	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3ncccc3Cl)cc2C1	734246260	JZVJLKVLXZVGMA-GFCCVEGCSA-N	363.914	4.704	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cc(C)c(C)cc1OC(F)F)c1ccccc1	743441006	BCHRQXXWDCWWAG-KRWDZBQOSA-N	360.404	4.549	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cnc(Cc3ccc(F)cc3)s2)c(C)c1	743761737	PDKHBRLZPBWEDD-UHFFFAOYSA-N	369.465	4.555	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)c(C)c2)c1	746393054	GUMASDHOUFIQIX-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
O=C(NNc1ccccc1F)[C@H](Sc1ccccc1F)c1ccccc1	748059662	YOCOBDNCCGHIFZ-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
CN(Cc1cccc(C(F)(F)F)c1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	750040550	YNOYGIJEZFERDP-IUXPMGMMSA-N	361.323	4.610	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCCCC2	761588374	IPJWJWVLQHHRNP-UHFFFAOYSA-N	370.396	4.673	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(F)c(Cl)cc1F	764464050	PHSFTTJQPCSWQJ-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
COc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(Cl)c1	767396337	PYWXRWUMRAAJPQ-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)c1cccc(F)c1	772171011	ANOMGPDYOFKVSA-FOWTUZBSSA-N	373.412	4.992	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772177623	XLVSNAZPWHQAJV-DFWYYUMKSA-N	371.383	4.941	50	20	FJGD	
COc1cc(NNC(=O)/C=C(\C)c2ccccc2Cl)ccc1Cl	790169978	FQVATCQFOHAMQQ-PKNBQFBNSA-N	351.233	4.549	50	20	FJGD	
Cc1cccnc1NNC(=O)c1sc2cc(Cl)ccc2c1Cl	791215392	SEVAUBQCTXJBDI-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)NC(=O)CO4)n2)cc1	794938908	OLNRPNGWZSMGMZ-PXNMLYILSA-N	373.437	4.514	50	20	FJGD	
C[C@H](C(=O)NNc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1	798988820	CDWGQUINZYBAQH-LBPRGKRZSA-N	359.351	4.500	50	20	FJGD	
CCC(CC)[C@@H]1C[C@H](NCc2ccc(OCCCCl)cc2)CCO1	811486634	GVLMJVNDMUNSCE-QUCCMNQESA-N	353.934	4.768	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)C(=O)Nc1ccccc1F	811685479	TVSMXWRBRWGKSF-BDXDCFHCSA-N	372.346	4.919	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(C(C)C)cc2)c(C(F)(F)F)c1	816703821	UXPMFVOKAAPYJQ-UHFFFAOYSA-N	352.356	4.594	50	20	FJGD	
NC[C@@H]1CCCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179253	MNDLPXHFXBUNEK-NSHDSACASA-N	359.364	4.689	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccccc2-c2ccccc2)c2ccccc2n1	917534622	WAYLIIGRZSXCHY-UHFFFAOYSA-N	365.436	4.974	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2OC)c1C	917622618	VABZGINXLDWGIL-MHWRWJLKSA-N	354.837	4.743	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H]2CC[C@H](C#N)C2)c(C)n1C1CCCCC1	1516748568	FDTAHEAZTVYLRH-LPFWDJEVSA-N	365.477	4.753	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@H](c2ccccc2)O1	109045244	ISCVNXQKXMOZMO-KBAYOESNSA-N	365.564	4.689	50	20	FJGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1C	160694705	VKRQUXSGUQRWRF-AQTBWJFISA-N	358.445	4.609	50	20	FJGD	
Cc1nn(C)c(C)c1CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186072988	QZIIXJGNZKHEPP-UHFFFAOYSA-N	369.359	4.876	50	20	FJGD	
CCCCN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192972841	BZJVGVFJBRGKAO-UHFFFAOYSA-N	360.348	4.541	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCOc2ccccc21	728177076	SQJYDFGCLVIQCA-LLVKDONJSA-N	371.651	4.656	50	20	FJGD	
CC(C)COc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	730145670	KHCALASPYOXCHK-UHFFFAOYSA-N	365.260	4.792	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccccc1Cl)c1nc(-c2ccccc2)cs1	730678117	UJSQIVFJVLRSMV-GFCCVEGCSA-N	372.881	4.851	50	20	FJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)Nc1ccc(F)c(Cl)c1	741851487	AUTDOQTYKBZRFP-XFFZJAGNSA-N	358.731	4.910	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ncc(C(C)C)s2)c1C	741996523	HZFLWQYPDHNXQL-SXGWCWSVSA-N	356.495	4.641	50	20	FJGD	
O=C(NNc1nc2cc(C(F)(F)F)ccc2s1)Nc1ccccc1F	743813145	LIRBYWWKEKUYIS-UHFFFAOYSA-N	370.331	4.603	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)nc2)sc1-c1ccc(F)cc1	743815981	LXWCOEBYHMDFJY-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1SC	746340828	SZIWZAQLLZUQOP-UKTHLTGXSA-N	358.850	4.616	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2Cl)oc2c(F)cccc12	748009145	DTQIRNXIQNYBIP-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)ccc1Oc1cccnc1	751479150	HGTSIPCGGQJWKM-ATVHPVEESA-N	373.387	4.867	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccccc1Br	752809816	BIRVSBWWFYELTE-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C[C@H]1CCc2ccccc21	755567385	WHBMALBEULOTJU-QGZVFWFLSA-N	361.470	4.564	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(Cl)oc3ccccc23)n1	761177855	VWQLDDSHPFBKCD-JXMROGBWSA-N	358.806	4.784	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(O)c(C)c2C)c1C	774823787	JHRCBPCPDGCSSH-ODLFYWEKSA-N	365.477	4.691	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(SC(F)F)cc2)cc1	781548934	KBRRMPQVYBYFAJ-MHWRWJLKSA-N	358.413	4.533	50	20	FJGD	
CC(C)=CCCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	790888022	BLBLXSBOCGAMNJ-UHFFFAOYSA-N	365.389	4.979	50	20	FJGD	
Cc1cnc([C@@H](NCc2ccc(OCCCCl)cc2)C2CC2)s1	798185986	COKWSQDVOQUAJU-KRWDZBQOSA-N	350.915	4.700	50	20	FJGD	
Cc1cnc(COCC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	808713772	KGXXAGUYTLKXBS-UHFFFAOYSA-N	372.315	4.796	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1	811475633	JAOJYOWLJJSTCA-NHCUHLMSSA-N	359.897	4.704	50	20	FJGD	
ClCCCOc1ccc(CNCc2ccsc2Br)cc1	811502717	ZKCDYSXRWXHSSW-UHFFFAOYSA-N	374.731	4.808	50	20	FJGD	
O=C(CSC1CC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	839235426	HHDORIUZOICTAM-GFCCVEGCSA-N	355.834	4.740	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)c1oc2ccccc2c1COC(C)C	855365710	RELQBIMSMURKCJ-UHFFFAOYSA-N	356.397	4.562	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1	917213948	DMYPAEYWURIFKF-UHFFFAOYSA-N	367.792	4.672	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Oc2ccc(Cl)cn2)cc1	1327568728	FNFLJLPAOIHNHV-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3ccc(C(F)(F)F)cc3)ccc2c1	1334730147	RXOLBTNFQMIKKD-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
CC(C)=CC[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776298991	QLAISCCLQJZNRQ-GOSISDBHSA-N	363.574	4.970	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	119130507	YMXXNSMULOARGJ-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNc1ccccc1	195605202	QRUMNMWLOMETQU-VOTSOKGWSA-N	374.284	4.881	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	207854364	MHKCTPNLFPWXGV-NVNXTCNLSA-N	369.808	4.719	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(Cl)cc1Cl	588421287	KFEWZXBKPXHJID-YVMONPNESA-N	368.201	4.509	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OC)c1	741471379	ZPFFHUWVMYPTIK-ACLQVGRQSA-N	355.356	4.549	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccccc2Cl)cc1Oc1ccncc1	748303858	URZBELSZHAFXRN-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F	751955167	PGMUGJRGCMAZDL-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cnc1Cl	760212004	RZGNHTLBKQQPOO-YHYXMXQVSA-N	367.655	4.657	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(F)ccc2Br)c1C	761175708	CSSGCRFQKBKPIC-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1ccccc1SCC(F)(F)F	769947855	YCLTWJRCMYQQRZ-UHFFFAOYSA-N	359.348	4.629	50	20	FJGD	
C[C@@]12CCCN1C(=O)N(c1cccc(S(F)(F)(F)(F)F)c1)C2=O	771857895	FVKNPENUSRKAMH-ZDUSSCGKSA-N	356.316	4.665	50	20	FJGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)n12	773163861	ZUMBCBWTMFQGMC-QPEQYQDCSA-N	373.309	4.591	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1	781043008	ZARFMPXOOLZRHM-QXMHVHEDSA-N	357.523	4.895	50	20	FJGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1Cl	783509392	MJIWJOCXCSTSON-QMMMGPOBSA-N	353.171	4.832	50	20	FJGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)c1nc(C(C)C)cs1	794703320	UNDFBFBXQHTJCU-JYRVWZFOSA-N	369.881	4.873	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1ccc2ncccc2c1	794964522	CVIBTJUTJIBUSL-NVNXTCNLSA-N	363.760	4.586	50	20	FJGD	
CCCN(N=Cc1cc(-c2ccncc2)ccc1OC)C(=O)OC(C)(C)C	794996275	FQDBYGNZGZGHFL-UHFFFAOYSA-N	369.465	4.738	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCC1CCOCC1	798367682	ICYQNFUPJATXOT-UHFFFAOYSA-N	360.523	4.920	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@H]2C[C@H]21	806184203	VOPDIDSVMUDNKV-NDMJEZRESA-N	364.820	4.922	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)OC3CCCCC3)cs2)c1	834748183	QENLDEAYOWZGCV-GDNBJRDFSA-N	368.458	4.602	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@H](C)C2CC2)c1C	914841417	PFJZSMZAZJMOSP-UOBPLZBXSA-N	353.510	4.602	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1csc(-c2ccco2)n1	1323283172	YJDCUDMJFDAQNA-UHFFFAOYSA-N	372.208	4.606	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1ccc(SC(F)F)cc1	6209449	FFUFZXVGKUKGFZ-CSKARUKUSA-N	366.339	4.825	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2C)c1OC(F)F	7211271	YXLQGOIGGKMLLI-RVDMUPIBSA-N	357.356	4.785	50	20	FJGD	
Cc1ccc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)c(C)c1	25510983	UFUHYZCRBBAORM-XMHGGMMESA-N	352.484	4.918	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	44023625	NFKQCFBOBGHWDJ-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
COCc1nc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc2o1	79689531	ITDVURRVPVQQLX-CYBMUJFWSA-N	366.508	4.627	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(F)ccc1Br	134513502	SDEKMYORUXXFDT-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(C(F)(F)F)n2)sc2ccc(F)cc12	155841844	QQAYUQZWSUGLOS-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccnc3Cl)n2)cc1	171541065	VSXAHRNNWHVXKX-NTEUORMPSA-N	353.834	4.931	50	20	FJGD	
CC(C)CCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192919057	PDKNUWIFPYLXHT-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1OCC(F)(F)F	195172945	FFGXZZWKGFLGBO-AWNIVKPZSA-N	368.380	4.856	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cnc(-c2ccccc2)s1	727255042	BLKLSKQYDQMIDA-UHFFFAOYSA-N	371.465	4.656	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1cccc(OCc2ccccc2)c1	728698607	LQVRWMRJGJIKRB-MDZDMXLPSA-N	366.848	4.597	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(C)n1Cc1ccco1	733782593	VGFKOOAFTULVFE-UNOMPAQXSA-N	370.412	4.860	50	20	FJGD	
COCCCCCOC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	735128886	LHFZXQHRAXJIGK-HMMYKYKNSA-N	372.509	4.877	50	20	FJGD	
O=C(NCCC1CC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	743087766	RGRPTPONUGQTFC-LBPRGKRZSA-N	352.809	4.828	50	20	FJGD	
CCC1(CC)CCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	756023619	NHIYSKOEPORABT-UHFFFAOYSA-N	355.462	4.513	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1CCC(F)(F)F	759659882	DEOJXPQNHGMDDV-UHFFFAOYSA-N	362.395	4.817	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1)c1ccccc1	761384162	FQFCOPNAHVEVCW-DNXIFWLFSA-N	365.433	4.610	50	20	FJGD	
Cc1ccc(S[C@@H](C(=O)NNc2ccccn2)c2ccccc2)c(C)c1	777472672	WOOJBZISPAYEDK-HXUWFJFHSA-N	363.486	4.675	50	20	FJGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNc1ccc(C(C)(C)C)cc1	781042149	MNGWWVMYRZUUJV-UHFFFAOYSA-N	372.538	4.685	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(F)cccc1OC(F)(F)F	789127993	PSGWOWQLUIHGPW-XFXZXTDPSA-N	364.298	4.578	50	20	FJGD	
Cc1cccnc1NNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1	792264532	QZBRDWKSELOZPA-UHFFFAOYSA-N	360.845	4.513	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cn1	797787439	PLDQKONWUVKPFD-XDJHFCHBSA-N	374.488	4.548	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc(C)nc1-c1ccccc1	799754647	NKBHTCPLNAWRNW-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc2nc(C(F)F)sc2c1	806690638	BHMGUFWIYWLYBE-UHFFFAOYSA-N	352.341	4.522	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(-c2ccccc2)nc1O	812767641	NYTATJWXZNOZQB-UHFFFAOYSA-N	361.445	4.643	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCC1CC(OC(C)(C)C)C1	813153563	VAVRPFHXWAJGMH-UHFFFAOYSA-N	361.530	4.728	50	20	FJGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c1	917622390	POFNOGUHAIRXQI-LCYFTJDESA-N	357.196	4.686	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3cccnc23)c1C	14516875	PCGXZTYLDQSGOC-CPNJWEJPSA-N	358.445	4.609	50	20	FJGD	
CC(C)(C)n1nc(C(=O)NNc2ccc(Cl)cc2Cl)cc1C1CC1	151969724	OUDRXVPSEYLBIW-UHFFFAOYSA-N	367.280	4.579	50	20	FJGD	
Cc1ncc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(C(C)C)n1	172095255	YQEDRSNLRLGTRN-UHFFFAOYSA-N	373.671	4.626	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N1CCCCCC1	183464683	FUHJVDVDAQZGKZ-UHFFFAOYSA-N	372.359	4.685	50	20	FJGD	
O=C(NC[C@@H]1CCCOC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192260630	FRHNRVCFYKKPLM-JTQLQIEISA-N	360.348	4.892	50	20	FJGD	
Cc1cnc(C2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)s1	372872180	UBXOZWIOUWHZSR-HNNXBMFYSA-N	370.609	4.872	50	20	FJGD	
CC[C@@H]1CCCC(=NNC(=O)c2ccc(Br)cc2Cl)C1	734978785	BOGUOHAZSKNIMT-SNVBAGLBSA-N	357.679	4.789	50	20	FJGD	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)CCCC[C@@H]1CCSS1	737965814	UCQXDTULXGPYQR-CZUORRHYSA-N	353.528	4.986	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc(Cl)c1)c1ccccc1C(F)(F)F	741666116	ZISMIOKGBMCJJW-NSHDSACASA-N	356.775	4.996	50	20	FJGD	
Cc1nc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)sc1C	741854420	LDVFAHIRKWPLFR-VFJWTBQQSA-N	373.528	4.763	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(SCc2ccccc2)cc1	743818868	QHPZFZKGOWPGIX-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	753928449	ABUQYIVNTZNAAR-GHMZBOCLSA-N	374.375	4.969	50	20	FJGD	
CC(C)OCc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1	769984397	ZSKJZOMIZXHZGY-UHFFFAOYSA-N	367.371	4.779	50	20	FJGD	
O=C(NNc1ncccc1Cl)C1(c2c(Cl)cccc2Cl)CCC1	774018582	OGNPIGLAQHROQH-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
C=CCC[C@@H](C(=O)NNc1ccccc1Br)c1ccccc1	779008047	BZGRNZXVUFCXNC-OAHLLOKOSA-N	359.267	4.642	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(SC(F)F)cc2)n1	781550003	YRVWHQLKIJPRIL-YRNVUSSQSA-N	366.414	4.699	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)NCc3cccc(C)c3)s2)cc1	786056779	RPXBKTAQTRHDIH-YBFXNURJSA-N	373.481	4.650	50	20	FJGD	
COc1cc(NNC(=O)Nc2cc(-c3ccccc3)ns2)ccc1Cl	788627598	YXDPAVJYFHCBQD-UHFFFAOYSA-N	374.853	4.621	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)CCSc1ccc(F)cc1	788705988	ZWPMTTKHSOAHAC-UHFFFAOYSA-N	364.873	4.674	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)c1nc2cc(F)ccc2s1	794943110	VZCMBSUNNKSYCI-MLPAPPSSSA-N	352.390	4.815	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Cl)c1	797081432	CUABBYZETNLDEH-NTEUORMPSA-N	350.805	4.928	50	20	FJGD	
O=C(NN=C1CCCC12CCOCC2)c1ccc(-c2ccc(F)cc2)s1	799872174	NDNMKGARUYYEJZ-UHFFFAOYSA-N	372.465	4.621	50	20	FJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1ccc(-n2cccn2)cc1	811481710	KTBXCFWJQINCMK-KRWDZBQOSA-N	369.896	4.731	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1occc1-c1ccccc1	871074644	HEZPYPPIOQIRGQ-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccc(-c3ccccc3F)o2)c2ccccc2n1	917032087	GFUDDBHJCOIVIH-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)cc1	920498364	NLILRYHJVISOJU-RERGGYADSA-N	373.355	4.508	50	20	FJGD	
Cc1nc(CSCC(=O)NN(c2ccccc2)c2ccccc2)cs1	1251140837	AEXQCMNYNPBVDS-UHFFFAOYSA-N	369.515	4.554	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	1317809431	UVJOLPBNEHOZBG-QINSGFPZSA-N	358.353	4.953	50	20	FJGD	
O=C(O)[C@@H](CC(F)F)NCc1cccc(S(F)(F)(F)(F)F)c1	1332011853	ITSVSZWPSYFTBS-SECBINFHSA-N	355.275	4.542	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1[N+](=O)[O-]	5129257	YFIIJRNXXIHFDX-FOWTUZBSSA-N	363.417	4.885	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)Nc2ccccc2C)cccc1OCC	6410502	PZDDITFLRIUFMJ-NBVRZTHBSA-N	364.445	4.728	50	20	FJGD	
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=C(C#N)C#N	7155049	ABMJAHCQEWRLNX-UHFFFAOYSA-N	351.624	4.631	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OC(F)F	7159628	FHGFJNRHJFIOSJ-UKTHLTGXSA-N	362.763	4.796	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC(C)C	33471244	TYWOZFHFOOOXJS-YVLHZVERSA-N	352.390	4.702	50	20	FJGD	
N#C/C(=C/c1ccccc1OC1CCCC1)C(=O)Nc1ccccc1F	63275711	FDFYZUXDBMHZDR-SSZFMOIBSA-N	350.393	4.693	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	63276304	FTCGLAHESMXUPI-VKAVYKQESA-N	362.429	4.562	50	20	FJGD	
C[C@H](Sc1ccnc2ccccc12)C(=O)C(C#N)=C1Nc2ccccc2N1	109199796	NIFWJTGFEPDQFI-ZDUSSCGKSA-N	372.453	4.557	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ncccc2C(F)(F)F)c1C	119595230	RASAOOZRRRQPPD-GXDHUFHOSA-N	361.367	4.719	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	175318313	XOXMEHILOXSLQP-YCRREMRBSA-N	369.154	4.523	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2occc2COc2ccccc2)cc1	181135038	MSBAPVCLIFPAEU-UHFFFAOYSA-N	364.445	4.913	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	184417371	KJGVKELDYGIJQS-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(SC)c(OC)c1)c1ccccc1	188570111	ORMARSVGBQIBMY-XUDLPTGHSA-N	366.486	4.592	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn(C)nc1-c1cccs1	255566723	LKXDPHUHSUHFBG-UVTDQMKNSA-N	372.453	4.728	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccc(OC)c(O[C@H](C)CC)c1)c1ccccc1	731933191	VNUNINFDRLRCPF-APWZRJJASA-N	368.477	4.516	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccnc(-c3ccccc3)c2)cc1	732151779	CZVIFVAAJSBCIM-RGEXLXHISA-N	369.424	4.693	50	20	FJGD	
C[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCC1	762668928	NYJTXJGBHBIICU-SECBINFHSA-N	372.359	4.587	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)c(-c2cc3ccccc3o2)n1	772180401	WPNLTYXVPZBIBT-SXGWCWSVSA-N	371.371	4.762	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cnc1Cl	773145455	SAEHIVCFTICWBA-LFYBBSHMSA-N	368.717	4.991	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(-c2cccs2)ns1	779326725	CNHHYUDNOJMWQX-JTQLQIEISA-N	371.578	4.919	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c1C	781603049	NSMXTWLHGJJTHW-ADFUCPMPSA-N	371.868	4.775	50	20	FJGD	
CC1(C)CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1	783787212	PIYAYVFMBCVVFO-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)c2cccnc12)c1ccccc1	787141207	JYDIALBZMILCKI-QUHSPFQSSA-N	359.404	4.548	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(/C#N)c1cnc2ccccc2n1	790227854	MXHOBEPETFBWJY-UNOMPAQXSA-N	365.440	4.556	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(F)cc2)on1	791726137	DCAYNMDVXGDOEK-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
CSc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cc1	798043899	XIWCTXUYNLAHGU-MRXNPFEDSA-N	355.594	4.781	50	20	FJGD	
Cc1cccc(NNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1	806398699	QAYKVPDDHZLZNS-UHFFFAOYSA-N	365.260	4.798	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(COc2ccc(Cl)cc2)cc1	912711123	YIVIBVUDYUMPNQ-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)CCl	1323268778	GCTNDFVLWYWEPD-UHFFFAOYSA-N	359.832	4.909	50	20	FJGD	
CC(C)(C)[C@H](Br)c1nnc(-c2cccc(OC(F)F)c2)o1	1331908780	LDYPAGPEAZEAPG-SNVBAGLBSA-N	361.186	4.820	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	6339344	OUNFYIITDWQAAE-SFQUDFHCSA-N	352.390	4.846	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccn1Cc1cccs1	177832638	KSNMNOGWOFXHKN-UHFFFAOYSA-N	366.273	4.662	50	20	FJGD	
Cc1csc([C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C2CC2)n1	181609191	KZMAPFJRIGLGEC-MRXNPFEDSA-N	358.511	4.526	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)c1nc(-c2ccccc2)cs1	726876490	SOYSBDQZRVTQDB-XFFZJAGNSA-N	361.257	4.915	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1	730436860	MXYDPDWWMPUJDZ-FMIVXFBMSA-N	362.248	4.699	50	20	FJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)c1nc2cc(F)ccc2s1	737443403	IIGWEBDOQMEDGT-BJMVGYQFSA-N	354.797	4.801	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc2cnccc12)c1cccc(C(F)(F)F)c1	748766893	GZTZQWXLZQBFES-CYBMUJFWSA-N	373.378	4.891	50	20	FJGD	
CCc1ccc(-c2ccc(C(=O)NNc3cccc4cnccc34)o2)cc1	748773349	MBFXCFBFZWUQSL-UHFFFAOYSA-N	357.413	4.814	50	20	FJGD	
C=C[C@@H](CC(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccccc1	759680729	HZHZGSZDGZVLEF-LBPRGKRZSA-N	352.331	4.648	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(F)(F)F)s2)c1C	761391198	HCRHIIRWARRYFK-XYOKQWHBSA-N	350.365	4.929	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2cc(Cl)ccc2Cl)c1	764324853	VKDRMGXPTPQRAW-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2c(F)cccc2F)C1	767085038	YGQLNHSOPVTQMT-CABCVRRESA-N	354.441	4.564	50	20	FJGD	
N#C/C(=C\c1cc(Br)ccc1Cl)C(=O)c1ccsc1	767713415	JVVVKOFBJZHBFV-VZUCSPMQSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1CCOC2(CCCCC2)C1	769175124	LCVUXROSNLYKNA-ZDUSSCGKSA-N	372.296	4.501	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21	769730246	XOVXNYUOLXFRKG-SDNWHVSQSA-N	364.836	4.564	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(Oc2ccccc2)o1	777482104	YQECWRKVHHZLPZ-UHFFFAOYSA-N	359.385	4.685	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1sccc1Cl	782167468	UUIBBRHTEAVJBK-UHFFFAOYSA-N	361.879	4.597	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc2cccnc12	783713672	UNVFETOPLZLPGZ-GZTJUZNOSA-N	364.351	4.935	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc2ccccc2n1CC(F)(F)F	786830448	SMUJMLOFXWXURV-UHFFFAOYSA-N	367.758	4.614	50	20	FJGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)C1CCC(F)(F)CC1	788702116	OQHIXCXQNSWOFL-UHFFFAOYSA-N	354.466	4.948	50	20	FJGD	
C[C@H](C(=O)NNc1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1	798499599	BORPPSXVQWCWGU-VIFPVBQESA-N	360.738	4.745	50	20	FJGD	
O=C(NNc1cccc2cnccc12)C1(Cc2cccs2)CCCCC1	810687428	NKBWIQNIZHHFDI-UHFFFAOYSA-N	365.502	4.933	50	20	FJGD	
CC(/C=C(\C#N)c1ccc([N+](=O)[O-])cn1)=C\c1ccccc1OC(F)F	812243882	BRNDPFNFFGKSRR-MXOVAJDFSA-N	357.316	4.602	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cn1	812244921	NLPFQNMVDOLXRG-PDGQHHTCSA-N	357.369	4.633	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812247017	YFOGQYKFZQQSIY-RIYZIHGNSA-N	354.335	4.863	50	20	FJGD	
O=C(CCc1ccc2ccccc2n1)NNc1ccc(Cl)cc1Cl	813494065	VYRZLPMOJBUIPM-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(Br)c2ccccc2c1	816164459	XYCJRLCWBGYYPS-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)OCCCCO2)c1cc(C(F)(F)F)ccn1	834441146	AVVLNQRTDYHNIA-NTEUORMPSA-N	360.335	4.716	50	20	FJGD	
Cc1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)o1	916306803	BKFKSAOQAOULBA-UHFFFAOYSA-N	368.820	4.584	50	20	FJGD	
C[C@H]1CCCC[C@@H]1N(C)CCP(=O)(c1ccccc1)c1ccccc1	917096799	ADBMDKWEAFLUFR-UGKGYDQZSA-N	355.462	4.511	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(=O)c1ccccc1F	11334044	AOWNPHNXAJMNRU-UKTHLTGXSA-N	352.365	4.878	50	20	FJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)C(=O)C(C)(C)C)cs1	54895918	PAAFFFAMEDVCCN-GDNBJRDFSA-N	367.474	4.658	50	20	FJGD	
Cc1cccc(NNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1	72728230	NTIAMSNITDLYRA-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1	102196702	YBZCKLACECFKOK-GHXNOFRVSA-N	370.359	4.601	50	20	FJGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c(C)n1[C@H](C)c1ccccc1	118514466	KPWPSJHKKRFCAH-CQSZACIVSA-N	369.415	4.749	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)C(=O)Nc1ccccc1F	209258497	FLDNJGPPWQTAMG-KPKJPENVSA-N	355.419	4.556	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)c1ccc(F)c(Cl)c1	255426100	MWMVNVDWPLEYGD-UVTDQMKNSA-N	358.800	4.852	50	20	FJGD	
COc1ccc(NNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1	729273712	AJQUBKSPTJNGNX-JTQLQIEISA-N	371.289	4.626	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1)C1CCCCC1	732716581	VVTIBZPLHQULLE-NBVRZTHBSA-N	352.478	4.706	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)c2ccccc2n1	735610754	WABWAQIWBJJMFG-SFHVURJKSA-N	357.457	4.672	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2sc(Cc3ccccc3)nc2C)c(C)c1	743761330	ACRFKGYOMXZFBS-UHFFFAOYSA-N	365.502	4.724	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c(C)c1	743761545	JJVHLDROZPCXCQ-UHFFFAOYSA-N	369.465	4.940	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2csc3ccccc23)cc1C(F)(F)F	746893279	CTLIYANXRHSQEN-UHFFFAOYSA-N	361.348	4.549	50	20	FJGD	
Cc1cc2cc(C(=O)NNc3ccccc3Br)oc2cc1C	748058393	KNNOHJHNKWZSLS-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	750233910	WOHJHKJEZBLELP-GFCCVEGCSA-N	352.356	4.640	50	20	FJGD	
Cc1cc(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n[nH]1	755212768	SKUCPPFNNSOSET-NSHDSACASA-N	364.780	4.581	50	20	FJGD	
CN(C)c1nc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc2o1	765544741	FTPREGBXEYFMHI-ZDUSSCGKSA-N	365.524	4.546	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773144321	KFHIAKUHLSKGNC-NTEUORMPSA-N	362.326	4.700	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144348	KMQDNKXIHQLVCD-JXMROGBWSA-N	355.312	4.704	50	20	FJGD	
Cc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1OC(F)F	777886498	XLVQTANKXFOJTQ-UHFFFAOYSA-N	373.186	4.667	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1cccc(Cl)c1Cl	782305556	JMEQCNTZCNXXDL-POHAHGRESA-N	364.257	4.873	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ncccc1Oc1ccccc1	799294454	XBWZCHGKOHIMQO-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1nc2ccccc2s1	799588490	BOELPEQRMORLTO-ZDUSSCGKSA-N	354.479	4.554	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1C	809145596	BBZUVTZCNDXYKA-OVCLIPMQSA-N	356.219	4.561	50	20	FJGD	
CC(C)(NCc1ccc(OCCCCl)cc1)c1ccccc1[N+](=O)[O-]	814178078	BDEVMMFWASWPAX-UHFFFAOYSA-N	362.857	4.627	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1	817925300	AMAJEKPAIJRCNM-LSDHHAIUSA-N	365.260	4.639	50	20	FJGD	
NC[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCCC1	841180271	ZTBDMSGRYWRWGF-ZDUSSCGKSA-N	373.391	4.983	50	20	FJGD	
O=C(NN=C1CCC(F)(F)CC1)c1cc(-c2ccco2)nc2ccccc12	842523557	PAHUGSKKTFULDO-UHFFFAOYSA-N	369.371	4.790	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)no3)oc12	915863322	ZHLSUBLHSJUOCS-LFIBNONCSA-N	357.369	4.864	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F	1335666129	JGDMBAWQTZFNGV-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)c1cc2ccccc2o1	48417629	MCJXQNHXJNJYDK-QPEQYQDCSA-N	368.186	4.691	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1	122640151	XXWIGXSSSPPFMN-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc1C	125451397	ZVVWEQIHZCJQHT-NTEUORMPSA-N	351.387	4.992	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ncc(Cl)cc3Cl)c2)c1	132587986	YINMFFMFKZFDLC-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(Cl)cc(C(F)(F)F)c1	132735832	ZTUNGYARIBOGHM-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1	171115157	IFTARVIKIVCLBH-FBJMNJBLSA-N	358.426	4.560	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(-c2cccc(Cl)c2)on1	175403736	IUQWZIUOYYKOCU-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
Cc1cccnc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181318080	HUDRXTSOVPYUIG-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1	211558448	JWHPKZZHSQPHMU-JAIQZWGSSA-N	363.461	4.509	50	20	FJGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNc1ccnc2cc(Cl)ccc12	732574950	IQHBKTSJWRYCJY-CQSZACIVSA-N	365.864	4.527	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1OC	732715089	KAHXHUMBIMWHQX-JXAWBTAJSA-N	370.493	4.572	50	20	FJGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccnc2cc(Cl)ccc12	734862588	MKZUFYFDFRDPOS-AWEZNQCLSA-N	353.853	4.834	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1Br)C(=O)Nc1ccccc1	742429373	NVQIHNAIXPFILI-WQLSENKSSA-N	361.626	4.648	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1c[nH]cc1-c1ccc(F)cc1	752811881	CNYTVNVBFNBJDW-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
CCC[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1	761591808	VPGSBFHHWWQXLL-MRXNPFEDSA-N	352.356	4.612	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1NCc1ccccc1Cl	763534663	LKPQRYMVGNEXLU-UHFFFAOYSA-N	369.827	4.848	50	20	FJGD	
O=C(CCCc1nccs1)NNc1c(Cl)cc(Cl)cc1Cl	773689388	DCKJSECOPAGHQS-UHFFFAOYSA-N	364.685	4.569	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl	782304400	AQVWYVCYHNDXSS-YHYXMXQVSA-N	364.257	4.873	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	782754339	ZINYQLRHCBAUKU-MRXNPFEDSA-N	356.429	4.613	50	20	FJGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@H](C)C1	783788789	XUXXPCSFARKTAS-HZPDHXFCSA-N	372.472	4.839	50	20	FJGD	
C=C(CBr)COC(=O)c1ccc(C2SCCCS2)cc1	795363647	JCAPIMOAYFHNJT-UHFFFAOYSA-N	373.337	4.663	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc2ccc(Cl)nc2s1	798129664	DMJIPRJRKANBFM-SECBINFHSA-N	373.956	4.997	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@H]1O	806400786	FFQHQGMJDHFVLT-JOYOIKCWSA-N	360.348	4.579	50	20	FJGD	
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812241288	BPXTZYSLIYEIEX-PDGQHHTCSA-N	357.369	4.730	50	20	FJGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1F	814862956	YUVYUSOSICCCAL-UHFFFAOYSA-N	360.816	4.628	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1	817014716	VMRDWPSKJWYMTA-UHFFFAOYSA-N	354.275	4.543	50	20	FJGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	916336617	KIUFNDCYPATJNX-MRXNPFEDSA-N	371.440	4.547	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ncccc3C(F)(F)F)n2)cc1	1324637569	VOPGALRHVWKABD-LCYFTJDESA-N	356.307	4.523	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1c(F)ccc2sc(C(=O)O)cc12	1777465188	SXPALVQBNWVZCS-XYOKQWHBSA-N	365.385	4.837	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(Cl)cc1Cl	48425679	OKVMQHGPKNXCTL-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)C(=O)Nc1ccccc1F	63275707	FLDNJGPPWQTAMG-GHXNOFRVSA-N	355.419	4.556	50	20	FJGD	
COc1ccc(OCc2nc(/C=C(/C#N)c3nc(C)cs3)cs2)cc1	67953125	LGQGDGLHVLSWTP-QPEQYQDCSA-N	369.471	4.560	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)c1nnc2n1CCCCC2	96939544	WFHHBKAKUVHXTH-QINSGFPZSA-N	364.449	4.936	50	20	FJGD	
C[C@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	174796296	OHUWYDXTYSTEKW-JOYOIKCWSA-N	352.809	4.922	50	20	FJGD	
CC1(O)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	192260242	SORPLZSQBZAQFF-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1ccccc1C(F)(F)F	207701856	FBIDNMBECWQSBH-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
O=C(NNc1ccc(F)cc1)[C@H](Sc1ccccc1)c1ccccc1	301239285	IUCSMTVTVILESG-LJQANCHMSA-N	352.434	4.802	50	20	FJGD	
C[C@H]1COCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	372847097	MKHRXHHDPNQEAC-SNVBAGLBSA-N	360.348	4.844	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	727976048	LNUBTFPGFIDVDC-WMZJFQQLSA-N	370.252	4.668	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1	731225782	PXELVGWGMHNXMX-LSDHHAIUSA-N	356.347	4.504	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c(C)c1	743764810	VWCVMFXUGJLBMQ-AWEZNQCLSA-N	350.384	4.877	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	747063938	RSENSKOMXBEUGS-GZTJUZNOSA-N	370.399	4.958	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C	748562567	UEAOZDJPLRWLMJ-INIZCTEOSA-N	365.452	4.919	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC	749453715	VBEKJSIPNBHJNF-DSQDWWTGSA-N	353.393	4.801	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)c1ccncn1	758916627	RQXUMWHSAUKTSQ-QGOAFFKASA-N	363.424	4.702	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc2cc(Br)ccc2c1	771707189	PMKLRMDXNYICKZ-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2cc(SC)ncn2)ccc1OCC(C)C	773178027	ZAGPVJMINPXGGE-LZYBPNLTSA-N	369.490	4.696	50	20	FJGD	
CC(C)Oc1ccccc1NC(=O)NNc1ccccc1OC(F)(F)F	779399990	RITIYNRSHVVIQY-UHFFFAOYSA-N	369.343	4.521	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C2CCCCC2)n1	783685523	OWPIIJXHALJZEX-RVDMUPIBSA-N	368.868	4.667	50	20	FJGD	
COc1c(CNC(=O)CCCC[C@@H]2CCSS2)oc2ccccc12	789245120	MGEZMCOUCBXSNZ-CYBMUJFWSA-N	365.520	4.772	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)c(Br)c1	794691178	MPBSGGYDHGGJNJ-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2c(Cl)nc3cc(Cl)ccn23)ccc1[N+](=O)[O-]	794712156	NJKOHLQUGATJBR-GHXNOFRVSA-N	373.199	4.922	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1Br)C(=O)c1cc(F)cc(F)c1	794875277	UBDOLSSACMQSDE-UXBLZVDNSA-N	366.136	4.656	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[C@H]1CCCOC1	794884702	RCPWTHHXGKMAMF-GWQWUEFDSA-N	357.862	4.971	50	20	FJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1cccc(C)c1	794922065	CNVBACRCXQNBTR-UHFFFAOYSA-N	355.825	4.623	50	20	FJGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	799872563	URQFCLHCNBXZEO-LIMOIJHXSA-N	367.820	4.658	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	808246714	JAWBEYHRRUMVJQ-UHFFFAOYSA-N	362.178	4.647	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)cc1	825087213	YHCKXXFRZLIYPR-SJLPKXTDSA-N	365.926	4.766	50	20	FJGD	
CC(C)[C@@](C)(CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190712	RWTJROXCCVJPKN-CYBMUJFWSA-N	361.380	4.839	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1-c1ccccc1	917621333	AWFBAIGNMXOPGZ-PDGQHHTCSA-N	365.429	4.621	50	20	FJGD	
CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)Cc1cccc(O)n1	933400634	XXTXENOJXGKXSQ-UHFFFAOYSA-N	372.585	4.941	50	20	FJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(C)c(Cl)c3)cc2)cs1	1321679737	LVKDOQYKDCOEOF-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
CCCCCCc1ccc(C(C)=NNC(=O)c2ccc(C(=O)O)cc2)cc1	1776099173	SUDXCIHKVRRDGQ-UHFFFAOYSA-N	366.461	4.662	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	11294563	PVIUCBAVMOXXQK-SFQUDFHCSA-N	357.365	4.743	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]	36725098	QDOHYUSQNXLLCX-UHFFFAOYSA-N	367.792	4.731	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(-c2cc3ccccc3o2)n1	98124703	RHSNXVIJHCOHSO-XNTDXEJSSA-N	365.396	4.774	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(-c2ccc(Cl)s2)on1	175402990	DASOVLHBJNUQOG-UHFFFAOYSA-N	372.208	4.606	50	20	FJGD	
O=C(NNc1ccncc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192255517	NQXAXEVHMNCMOO-UHFFFAOYSA-N	354.304	4.888	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	194336304	XHRVPHOWSSZHSZ-XDHOZWIPSA-N	367.433	4.758	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1	255690877	RUONQRFAIKDWCQ-MDWZMJQESA-N	362.763	4.796	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cnn(-c3ccccc3)c2)cc1	747123622	JKHSSJUYWHIWJU-CPNJWEJPSA-N	355.441	4.960	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	750796646	XEDDDRYCIDSRKF-YPBGRKFOSA-N	366.280	4.753	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753373835	OHHDHYWSIYPZOO-QUYZQLMHSA-N	373.412	4.565	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)c1nc(-c2ccncc2)cs1	761474983	AZZAMWOBYIDMSI-NTUHNPAUSA-N	366.808	4.933	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1C#N	766288866	MRKPXPIUZFCRDQ-DHDCSXOGSA-N	369.396	4.727	50	20	FJGD	
COCc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	772615270	NNGKOIFETMNLFY-UHFFFAOYSA-N	361.445	4.576	50	20	FJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccc2ccccc2n1	777461769	UENVSOGZGATTDT-GFCCVEGCSA-N	357.866	4.512	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(=O)C1CCCC1	781555439	JGYYOMRUWBHCTL-MTJSOVHGSA-N	356.425	4.804	50	20	FJGD	
CC1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782973891	KFCAESIGZWNFPD-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1	797000708	VFSQHLUCIBLROU-XFXZXTDPSA-N	366.726	4.784	50	20	FJGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)c1ccc(Cl)cc1Cl	799872709	WJIYTANJJVWHTL-GFCCVEGCSA-N	362.260	4.832	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(OCCCCl)cc2)ccc1[N+](=O)[O-]	811694054	PKHQCTCBIOGARW-WJDWOHSUSA-N	372.808	4.675	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	812765302	DITNMFAWBODOBT-UHFFFAOYSA-N	353.378	4.530	50	20	FJGD	
CC1(C)NCC[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190449	OYRYDRWUGUKBEW-LLVKDONJSA-N	359.364	4.606	50	20	FJGD	
Cc1ccnc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)c1	843063433	ZXLWUTQLMHSJRH-UYRXBGFRSA-N	362.477	4.859	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)cc1F	856228668	ZKKJUMDAPTVWRL-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
O=C(NN=C[C@H]1CC=CCC1)c1ccc(NN=C[C@H]2CC=CCC2)cc1	915903376	JWWYABOIIVTFPN-ROUUACIJSA-N	350.466	4.513	50	20	FJGD	
O=C(NN=Cc1ccc2ccccc2c1)c1ccc(COc2ccccc2)o1	916359892	GJQOAPYEDDOZGG-UHFFFAOYSA-N	370.408	4.776	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ccc3ccccc3n2)cc(Cl)c1OC	917145284	XRHILDWVHVJIRZ-OQLLNIDSSA-N	350.805	4.970	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)cc1Cl	14176547	AFDUZHKEQYGTBK-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	44027371	MREPDWXNPRYCMY-AWNIVKPZSA-N	352.825	4.563	50	20	FJGD	
COc1ccc(CN(C)C(=O)CCCC[C@H]2CCSS2)cc1F	61499560	ODUSRAQTEZOFRY-AWEZNQCLSA-N	357.516	4.507	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1cc(Cl)ccc1Cl	98008581	GSRRAALXUJCHDU-YHYXMXQVSA-N	353.155	4.817	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(SC)cc1OC	123251915	UBJNSGSWCGSGRO-AUWJEWJLSA-N	373.861	4.869	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	141402180	FTCGLAHESMXUPI-SAPNQHFASA-N	362.429	4.562	50	20	FJGD	
CCN(CC(C)C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183479538	YGCMNACFWFWYKL-UHFFFAOYSA-N	374.375	4.787	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cn4cc(Cl)ccc4n3)c[nH]c2c1	255324674	UHOYETISDJFDBM-NTUHNPAUSA-N	360.804	4.567	50	20	FJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)c1ccc(Cl)cc1F	255775992	RJHRIARTHYYVHD-BJMVGYQFSA-N	360.175	4.570	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nn1)c1nc2cc(Cl)ccc2s1	727743485	AWTQOAMLPVPBML-XYOKQWHBSA-N	363.833	4.595	50	20	FJGD	
COc1ccc(C2(NC(=O)CCCC[C@@H]3CCSS3)CC2)cc1	731655150	IKYSVQUSVPJBDV-MRXNPFEDSA-N	351.537	4.515	50	20	FJGD	
CCCCCCC(C)=NNC(=O)c1ccc(OC)c(Br)c1	731934640	FVOSJJHLCKTBEI-UHFFFAOYSA-N	355.276	4.534	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2CCCN2c2ccccc21	732123159	QVBQPPWICAVGMD-JKSUJKDBSA-N	362.564	4.716	50	20	FJGD	
COCCCCCOC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	735128882	LHFZXQHRAXJIGK-HKWRFOASSA-N	372.509	4.877	50	20	FJGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccc(Cl)c(Cl)c1	746690257	XLDPRBGRKICQAS-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)c1c(Cl)cccc1Cl	748769632	JZAUXNONGYVSNV-LLVKDONJSA-N	360.244	4.788	50	20	FJGD	
Cc1nc(CCCC(=O)NN(Cc2ccccc2)c2ccccc2)cs1	749872917	COCVVGPTZTVOPA-UHFFFAOYSA-N	365.502	4.512	50	20	FJGD	
C=C[C@H](CC(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccccc1	759680727	HZHZGSZDGZVLEF-GFCCVEGCSA-N	352.331	4.648	50	20	FJGD	
CN(CCN1CCCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762967113	YFTJDQHBEJYALF-UHFFFAOYSA-N	373.391	4.904	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccnc1	766489428	DZQYVJGWHZWXEM-ZVCOJXFSSA-N	364.445	4.581	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(SC(F)F)c1	769999490	WZORGVXAMMFIJB-UHFFFAOYSA-N	366.418	4.760	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)c1cccc(F)c1	772178908	KUWCWFRUCZAZHJ-XGICHPGQSA-N	350.176	4.931	50	20	FJGD	
CC(C)[C@@H]1CCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	785316949	XSSDFXGHDUWYLP-LBPRGKRZSA-N	372.359	4.539	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)c(Br)c(Cl)c2)c1	786427214	QGCUZHKTNAPTRE-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1ncsc1/C=C(\C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787177080	DXLGQGGNVRERLN-JTTRITNRSA-N	366.273	4.543	50	20	FJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)C(=O)c1ccccc1	790100926	JPDRCRPDBSBSBL-UXBLZVDNSA-N	352.640	4.954	50	20	FJGD	
COc1cc(NNC(=O)CCSc2ccc(Cl)cc2)ccc1Cl	790179656	ZQQUGDJEFWUQEV-UHFFFAOYSA-N	371.289	4.628	50	20	FJGD	
Cn1c(/C(C#N)=C\c2c(Cl)nc3cc(Cl)ccn23)nc2ccccc21	794695847	PZYZQAIDPBFUOB-FLIBITNWSA-N	368.227	4.592	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCC12OCCO2	807251503	VLRJLYZCVKBLEY-GFCCVEGCSA-N	373.343	4.826	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	808247137	RLTICRUTNQZRJY-NEPJUHHUSA-N	369.317	4.608	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cn1	812245866	ZLTNWMNQMBEAMM-XFXZXTDPSA-N	351.749	4.967	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(N2CCC(C)CC2)nc1	812765281	COAXJGOFEVTUMQ-UHFFFAOYSA-N	366.509	4.507	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C)n(-c2ccccn2)c1C	812768053	CAYRTLJWDAERPQ-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
Cc1cc(Br)oc1C(=O)NNc1c(C)cccc1C(C)C	812768342	OZMNJHRELFAFLT-UHFFFAOYSA-N	351.244	4.539	50	20	FJGD	
N#C[C@@H](C(=O)CCCC[C@H]1CCSS1)c1cc(C(F)(F)F)ccn1	813211225	GIGODOVJOZEUJF-QWHCGFSZSA-N	374.453	4.991	50	20	FJGD	
CCCCCc1nnc(NC(=O)CCCC[C@@H]2CCSS2)s1	901199652	KULZOLGAZJUILM-GFCCVEGCSA-N	359.586	4.923	50	20	FJGD	
C[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)c1nnc2n1CCC2	921519878	QDXMRJPOXNCKBY-JTQLQIEISA-N	368.375	4.733	50	20	FJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21	7156297	GCAZBIFLPNXXOY-NTCAYCPXSA-N	374.831	4.754	50	20	FJGD	
C[C@H](Oc1ccccc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	23708339	QCFKUXFHVXJDBC-VIFPVBQESA-N	359.640	4.557	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)n1	176917166	ASONSVUHGRPBLR-VZUCSPMQSA-N	365.361	4.840	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1	588430490	BKSTWCJUELUTLO-VBKFSLOCSA-N	359.360	4.559	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2Cl)c1C	726430536	ZDIQJALFIUUPLD-VGSSETLESA-N	355.869	4.724	50	20	FJGD	
Cc1cc(O[C@@H](C)C(=O)NNc2nccc3sccc23)ccc1C(C)C	734246684	ISFGJGYTOMUJMG-AWEZNQCLSA-N	369.490	4.639	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1Cl	734753429	VZMCKLPKFCSATO-PTNGSMBKSA-N	365.795	4.669	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1	741468197	DEDGKQZYFRJASO-FJSNCCPHSA-N	370.456	4.847	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc(Nc2ccccc2)c1	746695367	BVFRDHHOQDWLOS-UHFFFAOYSA-N	355.800	4.980	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(SCc2ccccc2)cc1	748050306	ZCAKFPLOHFFOFB-UHFFFAOYSA-N	352.434	4.875	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)c(C(F)(F)F)c(F)c1	760468076	AQNNJHYGVYVNLD-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
Cc1ncsc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	760954338	DGBIGGLAJXISDR-LICLKQGHSA-N	368.506	4.921	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3ccccc3Cl)cc2)cs1	769942388	MJDGVJPWZAHAKV-UHFFFAOYSA-N	358.854	4.921	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1SC1CCCC1	776623087	NKFPHDRKQUOTKL-SSZFMOIBSA-N	364.470	4.973	50	20	FJGD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782974409	SVJAOAOZGYHEES-JTQLQIEISA-N	365.389	4.765	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cn2cc(Cl)ccc2n1	786590645	UXNWMKSDABHZCV-CQSZACIVSA-N	370.927	4.745	50	20	FJGD	
CCC(CC)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1cccs1	787138971	OUZZNJCPYURSBN-UIRWJGRMSA-N	354.475	4.654	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)c1nc(-c2ccncc2)cs1	788097087	GOURYDXZXSHCSI-MDWZMJQESA-N	362.439	4.986	50	20	FJGD	
Cc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)oc2ccc(F)cc12	791717661	KPXDHNVZRLSALV-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Cl)c1	797035077	RHHQCYWKSIYFCL-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C2=CCCC2)cc1	810686944	OSBDRLOJVWBATK-UHFFFAOYSA-N	357.797	4.572	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1	814639762	DHWQVXBSBJDYAF-FOKLQQMPSA-N	357.501	4.539	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccccc1OCc1ccc(F)cc1	912646189	HNXQONBSNMJXJP-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	917621653	BHTPIQFOVLTXHB-KAMYIIQDSA-N	363.398	4.545	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(Cl)c1	920068449	OIXFKBJZHMWZOC-ZSOIEALJSA-N	350.805	4.928	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ncc(C2CCOCC2)s1	1117774244	MKNNHIBECZWHGM-ZDUSSCGKSA-N	372.581	4.690	50	20	FJGD	
Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)CCl	1320466302	WRTQJZPJBJTEOF-UHFFFAOYSA-N	359.832	4.909	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3cc(Cl)ccc3Cl)ccc2c1	1322411804	XSFSGCYKIHKYCZ-UHFFFAOYSA-N	361.228	4.912	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccncc2)n1	18065469	MMXWPQAUBFAJIY-GZTJUZNOSA-N	369.453	4.763	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	59269626	UDHCVVQRGHRFFD-MDWZMJQESA-N	361.228	4.938	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2nc3ccccc3s2)s1	154993857	OYBXRCANPNMLGJ-UHFFFAOYSA-N	369.446	4.921	50	20	FJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)NNc1c(F)cccc1F	160041267	UJQQSPPSYPTUHT-NSHDSACASA-N	362.405	4.508	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)c1nc2cc(F)ccc2s1	730148636	IPJKRMQLJDQKKM-XCVCLJGOSA-N	358.781	4.882	50	20	FJGD	
Cc1cc(C)nc(NNC(=O)c2sc3cc(C(C)C)ccc3c2Cl)n1	732655660	ZHHNAOUUZAMKNR-UHFFFAOYSA-N	374.897	4.842	50	20	FJGD	
CC(C)C(=O)Nc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c1	733172458	CUARMQMCFHAGFX-MRXNPFEDSA-N	367.536	4.901	50	20	FJGD	
O=C(NNc1ccccc1F)[C@H](Sc1ccccc1)c1ccccc1	748050247	SDLDEQHIMZGGND-LJQANCHMSA-N	352.434	4.802	50	20	FJGD	
O=C(NNc1ccccc1Br)c1cc(Cl)cc(Cl)c1	748068967	VNNVERIJGOKDOJ-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(-c2ccccc2Cl)on1	748587994	GVSYTJDEUIKPHX-UHFFFAOYSA-N	367.836	4.631	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(F)cc1C	750896867	VDCNEYZTSQMFMT-ZSOIEALJSA-N	358.800	4.650	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1Cl	753316518	NRJASDMRQRYDQE-UHFFFAOYSA-N	359.816	4.540	50	20	FJGD	
CC(C)n1ncc(C(=O)NNc2ccccc2Cl)c1-c1ccccc1	754274783	OWXJNMHNDYEFLG-UHFFFAOYSA-N	354.841	4.541	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c2ccccn12	755626452	MEDQIMNMYDWHSJ-RVDMUPIBSA-N	354.413	4.729	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F	768301635	ZLFBZFNONUGLOU-HUUCEWRRSA-N	374.269	4.828	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1OCC(C)C	790231852	YYEZHXXQOCMLQF-YVLHZVERSA-N	359.429	4.737	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(Cl)cc2-n2cncn2)s1	797407009	LKOWBZLOQLJROE-MLPAPPSSSA-N	369.881	4.739	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Cl)c2ncccc12	801170726	SMLMVZSIFOOOJL-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CCCOC1	806400735	DPLFMRQTASXDTP-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812248540	ONNLFXRKHPGWLX-QPEQYQDCSA-N	370.334	4.563	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)c2cccc(Br)c2)c(C)c1	812523915	DHPNWBJSRPNBAP-AWEZNQCLSA-N	361.283	4.621	50	20	FJGD	
CC1(C)NCC[C@@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179713	RABSNPYNSGDNNF-NSHDSACASA-N	359.364	4.606	50	20	FJGD	
O=C(CSc1ccccc1Cl)NNc1cccc(C(F)(F)F)c1	912641573	BXQCXMPVTJWAMT-UHFFFAOYSA-N	360.788	4.594	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2ccccc2Cl)cc1OCCC	916555857	QDAORIBUXFTOTB-UHFFFAOYSA-N	362.857	4.675	50	20	FJGD	
CCCSCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	917631581	QYYFYBNVALERDQ-LBPRGKRZSA-N	357.850	4.988	50	20	FJGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)s1	919763431	BBUGXDASJBJQDI-JJLFXSABSA-N	369.534	4.915	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(-c3ccccc3F)o2)n1	920388083	RXUISWUZIUFQAC-FMIVXFBMSA-N	368.389	4.783	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(N4CCCC4)cc3)c[nH]c2c1	1337811615	HWZHOALKPWIRGE-AQTBWJFISA-N	355.441	4.866	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)c(Cl)s2)cc1Cl	1777433565	FMQDYHMWIRLSIZ-WMZJFQQLSA-N	366.225	4.851	50	20	FJGD	
CCN1C(/C=C/c2ccc(N(C)C)cc2)=CC(=C(C#N)C#N)c2ccccc21	2332240745	SJVIAGRCRJUNJG-SDNWHVSQSA-N	366.468	4.991	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1	103348700	SSKIVIQJRRWFNP-WQRHYEAKSA-N	356.429	4.548	50	20	FJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccnc2ccccc12	106925980	GEUBIGKEADJQDI-UHFFFAOYSA-N	364.408	4.530	50	20	FJGD	
C[C@H]1[C@H](C)CCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183553207	NJHDNZWFLOWVIN-ZJUUUORDSA-N	372.359	4.539	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1Nc1ccc(OC(F)F)cc1	218281879	ZLYOQTTVBPOSDO-UHFFFAOYSA-N	369.371	4.789	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)c1cnc2ccccc2n1	588580832	RRQJTXLNRUHZRU-ZROIWOOFSA-N	358.401	4.957	50	20	FJGD	
CCC(=NNC(=O)c1cc(OC)ccc1Br)C1CCCCC1	728431264	OMVPFLXXGUOYQC-UHFFFAOYSA-N	367.287	4.534	50	20	FJGD	
Cc1noc(C(F)F)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	746091627	GGTQYYRADDEZDC-UHFFFAOYSA-N	370.570	4.638	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1C(F)(F)F	746698989	SRVKONZNLBODBK-VIFPVBQESA-N	360.738	4.745	50	20	FJGD	
CCC[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	746894541	NFEGMPFJDYNVEM-MRXNPFEDSA-N	361.367	4.604	50	20	FJGD	
C[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762974485	HFIXDHNNVHUIKL-JTQLQIEISA-N	370.347	4.751	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1cccc(F)c1	772171113	CUGNGXLRGBPWHL-SDNWHVSQSA-N	362.316	4.784	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1F)C(=O)c1cc(F)cc(F)c1	772175169	GBIFNAXGCSPJAW-JYOAFUTRSA-N	366.136	4.656	50	20	FJGD	
COC(=O)c1coc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1	774118993	KFNBKIYEAYSOHB-VGOFMYFVSA-N	350.399	4.562	50	20	FJGD	
CC[C@H]1CCCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	779758591	VTAILSYKBGNZLL-INIZCTEOSA-N	372.472	4.983	50	20	FJGD	
C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983152	PESNRWFOGDFLON-BXKDBHETSA-N	365.389	4.811	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(C)c4ncccc4c3)n2)cc1	783702178	SCXOSNDOADEPRI-UNOMPAQXSA-N	352.397	4.966	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl	787145016	OEOABKNBLABVGM-AZZDOICSSA-N	370.239	4.649	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)sc2c1	788688816	LNIOXSYVOSXYMQ-FLIBITNWSA-N	369.833	4.504	50	20	FJGD	
COc1cc(NNC(=O)[C@H](C)Sc2ccccc2Cl)ccc1Cl	790188811	LHWHONURRZLNGN-JTQLQIEISA-N	371.289	4.626	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1	793071648	IYTDEEQCEZSLNE-PXLXIMEGSA-N	367.404	4.687	50	20	FJGD	
N#C[C@H](C(=O)CCCC[C@H]1CCSS1)c1cc(C(F)(F)F)ccn1	813211226	GIGODOVJOZEUJF-STQMWFEESA-N	374.453	4.991	50	20	FJGD	
Cc1c(C=NNC(=O)c2ccc(Cl)nc2)sc2c(Cl)cccc12	814808442	ABWSSYUJIJEKFC-UHFFFAOYSA-N	364.257	4.675	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H]2OCC[C@@H]2C1	831622212	XERVVFDXRWYUND-MFKMUULPSA-N	372.359	4.987	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNc2cccc(Cl)c2)c1C	900999359	DYNJFELPVFHDEW-UHFFFAOYSA-N	353.853	4.813	50	20	FJGD	
Cc1cccc2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Cl)nc12	915842283	KAJUWMWTMPSRNJ-GDNBJRDFSA-N	365.795	4.881	50	20	FJGD	
CC(C)Oc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1	915952635	IAJLDIUMAFEZFO-UHFFFAOYSA-N	351.233	4.545	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c(C)c1	916484284	ZELDACWATSRFSD-CQSZACIVSA-N	363.408	4.601	50	20	FJGD	
OC[C@@H]1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)CCC1(F)F	1119970006	MBUQPNBMVDCNNI-NSHDSACASA-N	367.330	4.794	50	20	FJGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](c2nc3ccccc3o2)C1	1336992464	CLRYCVUGNDMJEF-INIZCTEOSA-N	354.837	4.586	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CCC[C@H](C(=O)O)C2)c1	1776269150	VNZWEZUALYQOEF-IRXDYDNUSA-N	363.574	4.804	50	20	FJGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)c1c[nH]c2ccccc12	16441569	IXMCBJDJEZGSDI-BJMVGYQFSA-N	357.232	4.782	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1ccc(F)c(Cl)c1	90988047	MWMVNVDWPLEYGD-GXDHUFHOSA-N	358.800	4.852	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)c1ccc(Br)s1	178299509	MAKJHPXBKJWDCB-FPYGCLRLSA-N	372.165	4.718	50	20	FJGD	
Cc1c(C(=O)NNc2cccc3cnccc23)sc2cccc(F)c12	178484413	GQFAHSNWYVBIJW-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3ccsc3)cs2)c1	255033283	BZYBRDOORSOKRC-AUWJEWJLSA-N	352.440	4.670	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	255056837	OGBDQGGZFIVZIC-ZSOIEALJSA-N	361.228	4.685	50	20	FJGD	
CCCC(=NNC(=O)c1ccc(OC(C)C)c(OC)c1)C1CCCCC1	727777104	JLVMJUDMZLODTA-UHFFFAOYSA-N	360.498	4.949	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)C(C)(C)C	734437885	MKRFRKGLWVDOOF-QMMMGPOBSA-N	367.209	4.593	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2occc2Br)c(C)c1	735304542	LPGTYUXLINCTTQ-MDWZMJQESA-N	359.223	4.513	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(C2CCCCC2)cc1	740140022	HIOCVUPPJBBVEZ-UHFFFAOYSA-N	363.383	4.905	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	741851789	GSJYVOYTJSHAJD-MKMNVTDBSA-N	361.228	4.685	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(Cl)n2)c1C	744570094	HEFZFRLJGDKJJR-BOPFTXTBSA-N	371.868	4.604	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cnc1Cl	760213166	WWEICVALYRCJTL-WUXMJOGZSA-N	365.742	4.608	50	20	FJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3ccc(Cl)nc3)o2)c1	776479763	WVMNYWQRGPQMAR-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1)c1ccccc1	787179288	PMFVCVGIRIUDJD-FNGUVFISSA-N	371.440	4.825	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1OC	790228122	QDCHBLBLCXYCSY-QJISPJEISA-N	359.429	4.880	50	20	FJGD	
C=C(CBr)CN(Cc1cccs1)Cc1ccccc1OC	791439755	IESLJAASEHFVIB-UHFFFAOYSA-N	366.324	4.710	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	812246313	IYCNHOZJQFGFJO-ZROIWOOFSA-N	362.351	4.962	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@H](C)c2ccco2)c1C	920006446	UXCNTBKCMAMKBS-HNMKQIAWSA-N	365.477	4.767	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]	921138514	PGVLHAGCXWDPTR-YIXHJXPBSA-N	361.184	5.000	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)nc1	1116903005	BJWCEQLTRUACNN-RGEXLXHISA-N	353.425	4.948	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3ccccc3Cl)o2)cc1	1118062924	LXPFFFPHLCGNOU-KAMYIIQDSA-N	351.793	4.853	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCC2(CCOCC2)CC1	1252705885	BKRPIUGSFJPZDI-MRXNPFEDSA-N	357.585	4.556	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F	1318192588	ONFMBDAWJNIBSF-KPKJPENVSA-N	359.319	4.802	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)o1	16968996	WZNRPLLBCSLTRN-PHUCXXSHSA-N	360.335	4.967	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)c2nc(C(C)C)cs2)cc1	176939734	HURLCPSEKLKIEI-RIYZIHGNSA-N	350.447	4.729	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccccc1Br	178871521	SDVUPGYKYFNWAH-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	179605282	CPVAMORXLLLSNU-LFIBNONCSA-N	367.811	4.619	50	20	FJGD	
O=S(=O)(Nc1ccncc1)c1ccc(S(F)(F)(F)(F)F)cc1	181317548	NXMYLJPKOFYLGJ-UHFFFAOYSA-N	360.329	4.540	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccoc2C)ccc1OCC(C)C	213025653	WTXMISYCYUNIDY-YVLHZVERSA-N	353.418	4.811	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3ccccc3F)cs2)cc1	255360721	MFGIRADOOFYTHD-GDNBJRDFSA-N	363.417	4.803	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cc(-c2ccccc2)on1	726776546	SWZCKDXRHPJKOI-MRXNPFEDSA-N	362.520	4.672	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1	742110794	COVWBOXXNJDMEY-IEGSBAJASA-N	374.484	4.644	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)C(=O)c1c[nH]c2cc(F)ccc12	758017437	SKWKNVPKYLGKHB-LIPWGUAESA-N	352.315	4.931	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ncccc1C(F)(F)F	765502167	OHHFHNOYVBRMHQ-XFXZXTDPSA-N	355.319	4.680	50	20	FJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2ccc(F)cc2F)C1	767083704	DJGHVZUWDUUNGH-ZBFHGGJFSA-N	354.441	4.564	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CCSc2ccccc21	768008192	WJGGDBJIZMGCNL-NSHDSACASA-N	371.264	4.855	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)c3cccc(F)c3)c2C)cc1	773172434	RSPJWKCCKOYZOF-UDWIEESQSA-N	373.431	4.786	50	20	FJGD	
CC(=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCSCC1	777428845	DRMMCTXMJHXNAU-UHFFFAOYSA-N	362.495	4.803	50	20	FJGD	
CC(C)(C)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777908416	XLVXAFZTBOIXFK-UHFFFAOYSA-N	353.378	4.668	50	20	FJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2ccc3ccccc3n2)c1	790013778	JSQIUELTBSTWDY-MRXNPFEDSA-N	363.461	4.661	50	20	FJGD	
CC(C)Cc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	790929250	QMHFLCLJLAPUOJ-UHFFFAOYSA-N	352.356	4.541	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)s1)C(=O)C1CCOCC1	794958932	PPJPQIIFDPNXOG-RVDMUPIBSA-N	357.862	4.971	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1nc(-c2ccsc2)oc1C	812768952	OGIVENMNQFDDRY-UHFFFAOYSA-N	369.490	4.829	50	20	FJGD	
CC[C@H](C)n1nc(NC(=O)NNc2cccc(Cl)c2Cl)cc1C	839011896	NNPUAFFYOWGUIL-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2F)c(C)n1CCC(C)C	912706479	FDOAJWCRUUYVLI-GZTJUZNOSA-N	371.431	4.975	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2cn(CCC#N)c3ccccc23)cc1	916323352	BTBMBSMVADLRKY-UHFFFAOYSA-N	372.472	4.616	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1nc(-c2ccccc2)oc1C(C)C	1319387501	WWULBSNXWPURGS-UHFFFAOYSA-N	353.397	4.669	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(CC(F)(F)F)o2)c(C)n1CCC(C)C	1341597202	CZDOMUBYOWPOFY-NVNXTCNLSA-N	366.387	4.703	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(COc2ccc3ccccc3c2)o1	120446013	SDHHLBIIXHEPFX-UHFFFAOYSA-N	358.397	4.769	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1	159118780	CUSPQORIMFXFJQ-UHFFFAOYSA-N	373.456	4.621	50	20	FJGD	
CCOc1cc(C=NNC(=O)OC(C)(C)C)ccc1OCc1ccccc1	254749471	QSMPIGWJRJVPHG-UHFFFAOYSA-N	370.449	4.523	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	588409893	KAWKPOAVXQAGNN-SQFISAMPSA-N	360.369	4.626	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(OC)c1	726428882	PWOBPCFALLYLHG-JQFNYASXSA-N	367.420	4.935	50	20	FJGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cc(Cl)sc1Cl	734094237	KGNALWIRIWVWCJ-UHFFFAOYSA-N	363.653	4.568	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(Cl)c(Br)c1	753656745	RCIJVMGWIBSZOF-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)oc2ccc(Cl)cc12	770190515	IZFYPZBVQSHOLE-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
CSSCCNC(=O)c1ccc(-c2cccc3cccnc23)cc1	803245956	JENRTHNOYZVODE-UHFFFAOYSA-N	354.500	4.643	50	20	FJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)NNc1cccc(F)n1	806300828	PYFSCWMQQIWZDW-UHFFFAOYSA-N	354.838	4.523	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1	811485105	AHVGDGBIYAWJHE-KNQAVFIVSA-N	373.924	4.952	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@H](CF)C1	841690413	PNHNEQPWUAWOLT-SNVBAGLBSA-N	364.311	4.546	50	20	FJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2cc(C(F)(F)F)ccn2)cc1	857514006	OIRHBFHNJUDRRU-CYBMUJFWSA-N	365.399	4.861	50	20	FJGD	
Cc1ccncc1CC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	857574235	FMJVFMADBXSLGT-HNNXBMFYSA-N	374.815	4.791	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	917622051	HURVJEVMXVUOLH-SDNWHVSQSA-N	356.208	4.795	50	20	FJGD	
COc1ccc(C(=O)NN=Cc2c(Cl)cccc2SC(C)C)cc1	1255546244	LTAGDFOLSFDBPR-UHFFFAOYSA-N	362.882	4.613	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ccc(C(C)(C)C)nn3)sc2c1	1328715098	SBOJQROCHDGZPT-UHFFFAOYSA-N	374.897	4.708	50	20	FJGD	
CO[C@@]1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCSC1	1338202593	LUWHFROFKUOSHL-LBPRGKRZSA-N	363.373	4.805	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1ccc(/C=C\C(=O)O)cc1	1776384099	MNCIZPQZUXJXGP-LXBCAHSESA-N	357.413	4.779	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)s2)cc1	1776697483	FXLAWWLKSZWBPF-HLVNSREUSA-N	354.431	4.505	50	20	FJGD	
C[C@@H](Cl)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)[nH]1	34937154	YICVGWRFHIWIIZ-SSDOTTSWSA-N	369.671	4.714	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)cc1	39389108	GIJJIYDKXQQTFN-XFXZXTDPSA-N	361.264	4.619	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccccc2C(F)(F)F)c1C1CC1	89660226	WUDFRRUHQSHAOW-LLVKDONJSA-N	366.387	4.507	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccc(CCC)cc2)cc(OC)c1O	116168841	HORNRHJRBDRUHI-MOSHPQCFSA-N	361.441	4.872	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1	123181739	OYSCJZZSMDRPKD-ZDUSSCGKSA-N	356.372	4.688	50	20	FJGD	
O=C(CC[C@@H]1CCCO1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	129674881	VDWZHBRKFOYQMI-IINYFYTJSA-N	367.820	4.804	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1Br)c1cnc2ccccc2n1	588581016	YRRCQQSVFIIUCF-GHXNOFRVSA-N	354.182	4.596	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2csc(-c3ccc(C)cc3)n2)cc1	734304623	QEVUOZGTCLLVMG-YBFXNURJSA-N	373.481	4.650	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(SC(F)(F)F)cc3)nc12	741470361	QHLRICCPGSDNCN-WQLSENKSSA-N	360.364	4.942	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)cc1	746886325	KVJOJVRRBAYJHM-UHFFFAOYSA-N	364.420	4.875	50	20	FJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)Nc1ccccc1Cl	747689881	ABSLFGSEKXVHEZ-LGMDPLHJSA-N	359.816	4.948	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1CCOC2(CCCCC2)C1	769173428	DJHZAHIYDGPHSQ-CYBMUJFWSA-N	372.296	4.501	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)C(=O)c1cc(F)cc(F)c1	772180512	YNNHVKDRWWCQSO-QDEBKDIKSA-N	355.237	4.913	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1	787153510	FAIWSTXYVLAVHO-IEOAWGNMSA-N	356.425	4.633	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc2ncccc2c1	794884675	KWCGSQUUPNBGMV-NVNXTCNLSA-N	363.760	4.586	50	20	FJGD	
Fc1cccc2c1OCCC[C@@H]2NCc1ccc(OCCCCl)cc1	811487042	LAMDMALAGOAEGW-IBGZPJMESA-N	363.860	4.837	50	20	FJGD	
CC(C)c1cccc(NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	917571192	YKTMVMMQGOFWOD-UHFFFAOYSA-N	369.534	4.739	50	20	FJGD	
COc1cc2c(cc1NC(=O)NNc1ccc(F)cc1)oc1ccccc12	920928979	UQOXYKYHPSZGFO-UHFFFAOYSA-N	365.364	4.882	50	20	FJGD	
Cc1ccc(C)c(OCc2nnc([C@H](Br)C(C)(C)C)o2)c1	1325789116	HEOVNVYAXZEGNV-AWEZNQCLSA-N	353.260	4.748	50	20	FJGD	
N#C/C(=C\c1csc2ccc(C(=O)O)cc12)c1ccc([N+](=O)[O-])cc1	1776131566	VHKZMUHGRIFEHC-NTUHNPAUSA-N	350.355	4.572	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C(=O)O)c2)cc1	1776697764	RGSJJFSNMQJIHF-DZBQEORWSA-N	362.429	4.752	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(Cl)cc2Cl)c1C1CC1	89866017	VWIFFGVYNLKJIV-SNVBAGLBSA-N	367.280	4.795	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc(OC)c1	96973281	LKAKRJABZCZPRL-QPEQYQDCSA-N	355.344	4.513	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)Cc2csc(-c3ccccc3Cl)n2)c1	125048843	VJCAMWAKQRTRFS-UHFFFAOYSA-N	371.893	4.766	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cncc(F)c1	153767671	XWDMYZQTDBLMRF-CYBMUJFWSA-N	364.751	4.692	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc4nccn34)n2)cc1	180312529	XCPJIISPFGAXCZ-RVDMUPIBSA-N	358.426	4.531	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCCn1ccc2ccccc21	302712117	VVZPDBWXWUPUML-KRWDZBQOSA-N	362.564	4.862	50	20	FJGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccnc2cc(Cl)ccc12	743296600	HVKDBPILLWPOPN-ZDUSSCGKSA-N	371.843	4.739	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccc(Cl)c(Cl)c1	746690255	XLDPRBGRKICQAS-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)CCC(F)(F)F)c1C	748184883	XHFJMFLEYSOVCS-ATVHPVEESA-N	369.431	4.613	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C)nc2Sc2ccccc2)c1	748421235	YXZAXTKYWRZUIO-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1ncccc1C(F)(F)F)c1cccc(Cl)c1	749539110	WMOPQGLMCPTKPH-CQSZACIVSA-N	371.790	4.637	50	20	FJGD	
O=C(CC1CCCC1)NNC(=O)c1sc2cccc(Cl)c2c1Cl	749945206	OXMBUIOMHUGUKP-UHFFFAOYSA-N	371.289	4.549	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnc(C3CCCC3)s2)c1C	767718619	VWROTQAMCFQUQG-YBEGLDIGSA-N	351.475	4.963	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1	777462176	BHJJXTYYRLVZPJ-LLVKDONJSA-N	360.244	4.788	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1	786039653	FKQIJYJDIIZRHI-XNTDXEJSSA-N	351.880	4.758	50	20	FJGD	
CCc1ccc(-c2cc(C(=O)NN=C(C)C3CCC(F)(F)CC3)n[nH]2)cc1	788719763	FUZYBUYRCNYFGZ-UHFFFAOYSA-N	374.435	4.570	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	798531393	RXJACLMHAQVSFS-MQMHXKEQSA-N	350.249	4.566	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C#N)c(OC)c3)n2)cc1	799497138	IPSAZPWIIKGXIN-MFOYZWKCSA-N	373.437	4.763	50	20	FJGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	808745974	GZSUKWAZLMQKQD-MOPGFXCFSA-N	367.581	4.999	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc(Cl)cc3cccnc23)cc1	914889721	QBJSWEBWLFGSFP-MFOYZWKCSA-N	362.816	4.847	50	20	FJGD	
Cc1cccc(C)c1OCCNC(=O)CCCC[C@@H]1CCSS1	915633693	CJABCDCDAFHIFX-MRXNPFEDSA-N	353.553	4.513	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)c1c(Cl)cccc1Cl	915989986	IAAMFUYKQDGBNW-WQLSENKSSA-N	360.196	4.554	50	20	FJGD	
Cc1c(COC(=O)CCCC[C@@H]2CCSS2)cccc1[N+](=O)[O-]	918954900	KNIQDPXHRMQPAO-CQSZACIVSA-N	355.481	4.661	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)c1nc(N)c2ccccc2n1	1318248459	MFBLZSUHUPBMLB-YRNVUSSQSA-N	374.753	4.948	50	20	FJGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)c1nc(N)c2ccccc2n1	1320084876	QKHKAHALOAYAQO-FMIVXFBMSA-N	354.385	4.591	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1	6947345	LQKBIQVNXVYIDA-JLHYYAGUSA-N	361.228	4.938	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccccc1COc1ccccc1	30615692	TVWHKKCIBMHKFH-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(-c2cccs2)c1)C(=O)Nc1nccs1	54896960	OWZIDQJGDGSXMW-WQLSENKSSA-N	355.419	4.556	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1ccco1)C[C@H]1CCCO1	130228647	BGIOJTYKGRELHM-SJORKVTESA-N	369.552	4.501	50	20	FJGD	
CCO[C@@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1	194131691	UPOQFHBRUPANAM-IRXDYDNUSA-N	353.553	4.595	50	20	FJGD	
CC(C)C1(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	293753350	RCJWZVAMLDIKFT-UHFFFAOYSA-N	372.359	4.587	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccc(C)s2)c1C	737646900	NYHZGOHMGFPSDD-BXUJETTOSA-N	369.534	4.539	50	20	FJGD	
O=C(NN=Cc1ccccc1OC1CCCC1)c1ccc(Cl)cc1F	747646270	OHKLWZQCSWRWTL-UHFFFAOYSA-N	360.816	4.564	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1	775251002	CRWOMQIBHQVDGG-HNNXBMFYSA-N	371.790	4.637	50	20	FJGD	
CCCN(CC)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777914393	FFRCHAIHZDQCQM-UHFFFAOYSA-N	353.378	4.765	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)OCO2	781545177	BVLOZTMEPQUYLC-QPEQYQDCSA-N	359.353	4.520	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccccc3Br)csc2c1	795195012	XAQHXVHNMMARCZ-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cccc(C(F)F)c2)cc1	795391908	IOCQSYFHBGAYIG-LICLKQGHSA-N	357.356	4.673	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(F)c(C(F)(F)F)cc2F)c(C)c1	804467586	DPTYQVOCGSRCSE-UHFFFAOYSA-N	358.310	4.666	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(OCCCCl)cc2)nc2ccccc21	811685845	DRGKYADZGISFJE-DTQAZKPQSA-N	351.837	4.645	50	20	FJGD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NNc1c(C)cccc1C(C)C	812769264	YTUAQOSCCCKKOO-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
CCC1(C)CN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	813024735	RBARAGLXWHZAHK-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
CCOc1ccc(NNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1	817925574	ISGWLJIWCGBCFY-UHFFFAOYSA-N	368.408	4.560	50	20	FJGD	
CN1CC[C@@H]2CN(C(=O)c3ccc(S(F)(F)(F)(F)F)cc3)CC[C@H]21	827276564	CVIFSKHZZVEWPF-TZMCWYRMSA-N	370.387	4.510	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccnc2Sc2ccc(C)cc2C)cc1	912596251	FUCGZGZCNXLLIY-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/C=C1/N(C)c2ccccc2C1(C)C)c1ccccc1	915843227	GGROLTBLGNEFOD-FIGGLFTRSA-N	371.484	4.625	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1	916599096	FOLGPQAYZPTXQM-ZSOIEALJSA-N	374.223	4.635	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)OC1CCCCC1	918736313	XITRAXOVJCFKKK-RVDMUPIBSA-N	368.458	4.505	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(-c2cc3ccccc3o2)n1	920063074	YAIMXWXMJCGYLM-MHWRWJLKSA-N	370.368	4.806	50	20	FJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1	1318145540	WXLWDCFGTZMAFM-UHFFFAOYSA-N	359.901	4.637	50	20	FJGD	
COc1cc(NNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)ccc1Cl	1321143777	MKVNEMZSFDDUNE-DJWKRKHSSA-N	371.651	4.812	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)cc1)C(=O)Nc1ccccc1	1776118491	QBJNGSLLBPDRGE-JXAWBTAJSA-N	368.392	4.597	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1	155109322	IPXVSKYAIMBXHK-HXUWFJFHSA-N	359.454	4.535	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cccnc1Sc1ccccc1	181074562	FTQGFEDWSADTDH-UHFFFAOYSA-N	372.453	4.538	50	20	FJGD	
CCO[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	194131668	UPOQFHBRUPANAM-SJORKVTESA-N	353.553	4.595	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1Oc1ccccc1	211497295	LOPWFJSINSWWIL-VKAVYKQESA-N	356.381	4.730	50	20	FJGD	
N#CC1=CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1	378352431	CDUBVZIGKTVSBJ-UHFFFAOYSA-N	373.431	4.589	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(C)cc2)c1Cl	726430574	UOQAWHZWLDIZSQ-NGWPFTMJSA-N	355.869	4.724	50	20	FJGD	
CSCc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	731596382	GNFLKCSDLVISBG-UHFFFAOYSA-N	369.939	4.522	50	20	FJGD	
CC[C@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	735310882	FPCLLZFGTFNJOT-FQEVSTJZSA-N	355.462	4.513	50	20	FJGD	
O=C(CCCSc1ccc(Cl)cc1)NNc1c(F)cccc1F	735698389	GIDXYJWOIDDOTK-UHFFFAOYSA-N	356.825	4.634	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc2occc2s1	736675060	GPRLIZLFXLLRLU-UHFFFAOYSA-N	371.643	4.667	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3Cl)c2)cc1	764890899	FUTODDXTKZBXRZ-VXLYETTFSA-N	361.832	4.683	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2c[nH]nc2-c2c(F)cccc2F)c1C	768489998	LQBCCNYMFCAMEU-ZROIWOOFSA-N	363.367	4.762	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1Br)C(=O)c1cc(F)cc(F)c1	772179458	QAOUPDJLCMOKHZ-JYOAFUTRSA-N	366.136	4.656	50	20	FJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	779350651	OSEBXRNZYHRBRG-UHFFFAOYSA-N	355.398	4.663	50	20	FJGD	
Cc1ccc([C@H]2CCCCCN2C(=O)[C@H](Br)C(C)(C)C)o1	781090947	PXDAMJFDOYLNPA-HIFRSBDPSA-N	356.304	4.841	50	20	FJGD	
CSSCCNC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1	790878986	NGTHBRFLENXZJD-CQSZACIVSA-N	372.968	4.801	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(CCC(F)(F)F)cc1	799759512	PZWBKSNIRBZOLT-UHFFFAOYSA-N	350.384	4.809	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Cl)c(F)cc1Cl	815850423	LLVZTZCYVYUTER-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccccc1OCc1cccnc1	1115850095	DGLKLKGQBALTSO-MOSHPQCFSA-N	354.409	4.759	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1	1116350466	BQJBYZIGWRKXOJ-UHFFFAOYSA-N	367.836	4.901	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)cc1Cl	1326660030	FUZOOJYCSUAJHZ-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
CC(F)(F)C[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776443784	ICFDSVIYVRVXOW-HNNXBMFYSA-N	373.516	4.659	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C#N)c(C)n1-c1cccc2ccccc12	5280677	VIWYMSHSNNKYHP-DDLUMYACSA-N	369.424	4.610	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2SC)c1C	24006823	VUCRNAFSTHEHMW-SFQUDFHCSA-N	353.491	4.783	50	20	FJGD	
N#C/C(=C\c1ccc(OCCBr)c(Cl)c1)c1ccccn1	177889949	OHJQDBKPGFYXDN-UKTHLTGXSA-N	363.642	4.573	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)O1	184421399	WBUBODLBKGRLGL-AOOOYVTPSA-N	360.348	4.985	50	20	FJGD	
Cc1ccccc1NNC(=O)c1c(-c2c(F)cccc2Cl)noc1C	192737047	KLNGZJIAWXOOLB-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)o1	193746478	KOXQETQZACYCNY-XEGJVCIASA-N	371.234	4.711	50	20	FJGD	
COc1cccc2cc(C=NNC(=O)c3c(Cl)cccc3Cl)oc12	727781896	ZLJSJDLFSADGKA-UHFFFAOYSA-N	363.200	4.512	50	20	FJGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1cccc(OC(F)F)c1	728434837	PHKVIGGQXFUILL-UHFFFAOYSA-N	366.367	4.719	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	730521391	FIIVYAHKPYUGIJ-KBPBESRZSA-N	355.652	4.894	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1ccc(Cl)cc1Cl	730732769	QARNPSMRQNPQBN-UXBLZVDNSA-N	353.155	4.817	50	20	FJGD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)CCCC[C@@H]2CCSS2)C1	732134839	AWRNGYKKJCQEMN-IAGOWNOFSA-N	372.644	4.717	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F	741474558	QLVQGFXOXPZPGT-VPMLRQHESA-N	372.209	4.963	50	20	FJGD	
Cc1cccc(-n2c(C)cc(C(=O)NNc3cccc4cnccc34)c2C)c1	748773257	HEBXMERIMCHIKP-UHFFFAOYSA-N	370.456	4.708	50	20	FJGD	
CN1CCc2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)ccc21	751525978	YOZFBNAHMLMYEL-UVTDQMKNSA-N	372.255	4.531	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)c1c[nH]c2cc(F)ccc12	761385430	MVKYIMUPIVYNBC-VZUCSPMQSA-N	367.742	4.761	50	20	FJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	768046580	CUVQVOKXEVPUFO-BXUZGUMPSA-N	369.328	4.829	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F)O[C@@H](C)C2	773149742	KFBQMJCSFWVYEU-REPOHMLUSA-N	371.795	4.601	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)C(=O)c2cccc(F)c2)c1Cl	773173919	ZJEVSOYRCMXTSS-PTNGSMBKSA-N	365.795	4.669	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1	780373109	DDMALLJWEKZUOY-NSIKDUERSA-N	361.319	4.512	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1	794953470	LKPYGRULJCQKNL-KAMYIIQDSA-N	361.367	4.803	50	20	FJGD	
NC[C@H]1CC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189540	HZLVZBCHSGOFHO-ONGXEEELSA-N	359.364	4.593	50	20	FJGD	
Cc1c(NC(=O)NNc2ccccc2F)cccc1NC(=O)OC(C)(C)C	861395671	LLZXLQBQZBDHNL-UHFFFAOYSA-N	374.416	4.630	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccsc3)cs2)cc1	915989567	KAKAKVUIBUTGIF-RIYZIHGNSA-N	352.440	4.670	50	20	FJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)Nc1ccccc1C(F)(F)F	916128318	YNCVLLZYBXUNEM-RVDMUPIBSA-N	367.330	4.799	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)COc1ccc(C)cc1	917211852	LWZSJYLYBKWIQR-UHFFFAOYSA-N	364.445	4.613	50	20	FJGD	
CC(C)NC(=O)/C(C#N)=C/c1nc(-c2cc(Cl)ccc2Cl)cs1	125266184	KASKOCBYCHPERK-BJMVGYQFSA-N	366.273	4.548	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(C2CCCCC2)n1	181285803	IUKNEIHRFMVNND-LFIBNONCSA-N	358.445	4.739	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2c(F)cccc2Cl)c(C)n1-c1ccccc1	254855631	PQXZMDPYYWFWOR-UHFFFAOYSA-N	369.827	4.651	50	20	FJGD	
CCCCCCC(C)=NNC(=O)c1cc(OC)ccc1Br	728431609	VLGLAMOASSQULV-UHFFFAOYSA-N	355.276	4.534	50	20	FJGD	
Cc1ccncc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C	729404535	BFGFQDUTCDDMEF-NDENLUEZSA-N	370.456	4.652	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccccc2OC(F)F)c1C	729956522	XTTIRZHPXFRSDB-LFIBNONCSA-N	374.387	4.629	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CSc2ccccc21	735631475	ODYHNFRHNLPFDL-JTQLQIEISA-N	373.692	4.979	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CCSc2ccccc21	743296004	FJOLRSKFUJJRSA-CQSZACIVSA-N	369.877	4.611	50	20	FJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	752500099	GHKCPKJPIKJJJT-PDGQHHTCSA-N	366.436	4.995	50	20	FJGD	
N#C/C(=C/c1ccc(Br)c(Cl)c1)C(=O)c1ccsc1	754829600	YIFKFYHPUUYKRT-WZUFQYTHSA-N	352.640	4.954	50	20	FJGD	
C[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762665308	JOWQLBGFQZAYKN-NXEZZACHSA-N	372.359	4.539	50	20	FJGD	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H](Br)C(C)(C)C	766982659	PTAGNRZIHKALKG-GXFFZTMASA-N	369.328	4.625	50	20	FJGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)c1cccc2ccccc12	771878856	OZDOEYXEAUCZMA-UHFFFAOYSA-N	360.310	4.762	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C\c1cnccc1C	783869937	CGRPBDIKLITQRS-SREVYHEPSA-N	351.475	4.740	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3)c2Cl)cc1	789147458	HRHAKHPWDNBUQM-WQRHYEAKSA-N	361.832	4.683	50	20	FJGD	
CC1(CCNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	792373848	USPGEKZMXBYTTO-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	798345557	XDVBNRFCOMRQTF-UUILKARUSA-N	363.248	4.625	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)cc1Cl	857514068	RNOWCJDEGSBXKB-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1C	915862784	ZSOJODLXRLQHLC-ZHZULCJRSA-N	364.489	4.839	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H](c1cccs1)C1CC1	918199674	NNIWHRZBJCZNLB-CQSZACIVSA-N	355.385	4.544	50	20	FJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1	1790489089	QEGDWPHMORBCJL-QGZVFWFLSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)c1ccc(Br)s1	171671008	WUDAVMRQNKMDNW-FPYGCLRLSA-N	372.165	4.718	50	20	FJGD	
CN1CCC[C@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184429132	YNEHGFIMNFZXAB-LLVKDONJSA-N	373.391	4.807	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1)c1ccccc1	188821823	RHKOTRHHAZIBBI-GSPCDJLXSA-N	353.491	4.615	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@@H](c2ccsc2)O1	246656031	XQEHPFMWQHLCIG-KBMXLJTQSA-N	371.593	4.751	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)cc1	303367269	IVVLBXFDGTZKFI-MDWZMJQESA-N	362.763	4.796	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	588597535	NQSJTMJDIXOGBB-YBEGLDIGSA-N	363.367	4.557	50	20	FJGD	
CCCCC1CCC(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1	727794448	IHXFTMBPCBOJHL-UHFFFAOYSA-N	371.308	4.751	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@H](C2CC2)C1	737424032	ZCGKZQHUBWPSMO-INIZCTEOSA-N	353.491	4.805	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccccc3OCc3ccccc3)nc12	741474213	WAZKZFXKRPFQDZ-UYRXBGFRSA-N	366.424	4.910	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CCc2cccs2)c1C	742848859	RMMJFZDIZFMDMN-RGEXLXHISA-N	369.534	4.575	50	20	FJGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1	743808298	SILFQBPFABDAEI-OAQYLSRUSA-N	373.456	4.700	50	20	FJGD	
CC(C)c1ccc2cc(C(=O)NNc3ccc(C#N)c(Cl)c3)[nH]c2c1	753302989	RTEAKZCMESPCFH-UHFFFAOYSA-N	352.825	4.573	50	20	FJGD	
O=C(NN=Cc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1Cl	761778512	VADMRIWBHBHXMX-UHFFFAOYSA-N	368.220	4.506	50	20	FJGD	
CCCNc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	765929708	RTVCSKYDLAIIQC-KRWDZBQOSA-N	352.569	4.839	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1C#N	766288875	GGMBTMDIFTVHJQ-CAOOACKPSA-N	371.362	4.637	50	20	FJGD	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	786892207	XRSOZCQZBZQFOH-XDUBLRSXSA-N	374.362	4.538	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cn(C(C)C)nc3C)n2)cc1	798344717	LAWSPIQHFPPENY-CXUHLZMHSA-N	364.474	4.969	50	20	FJGD	
COC(=O)C[C@@H](C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808713183	FVQDEMVDQJSGHW-VIFPVBQESA-N	361.332	4.872	50	20	FJGD	
COc1cccc(Cl)c1CNCc1ccc(OCCCCl)cc1	811495266	IYWGMGGZROUQEL-UHFFFAOYSA-N	354.277	4.646	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc(Cl)n2)c(Sc2ccccc2)c1	817009931	FAGAWAVKWCWNCT-UHFFFAOYSA-N	369.877	4.952	50	20	FJGD	
CC[C@H](C)C(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	916295263	OBRGALBKUPKHMR-ZDUSSCGKSA-N	370.522	4.538	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(CSC(F)F)o2)cc1	916323964	TWNLAAFPEOWVDY-UHFFFAOYSA-N	366.433	4.797	50	20	FJGD	
CC(C)c1ccc2cc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1	917215699	CFKDHTBCSZECTP-UHFFFAOYSA-N	372.812	4.610	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CCC)CC(F)(F)F)c1C	918608663	IXLOMYHJQMLEHH-BOPFTXTBSA-N	369.431	4.613	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc3oc(C(=O)O)cc3c2)cc1	1776126920	BFAOOYLQFFVXBE-WOJGMQOQSA-N	359.381	4.873	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1OCC(C)C	18918299	WIBXCFPXKMXXSX-LICLKQGHSA-N	353.393	4.659	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2)oc2c(C)cccc12	65044832	BRBRFQOWDBREAL-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc2c(c1)ncn2C	120289835	IUMSECVZRVJNFM-UHFFFAOYSA-N	364.474	4.524	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1	120567606	YYGSHYWTXBNFCQ-UHFFFAOYSA-N	369.852	4.688	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1ccc(SCc2ccccc2)cc1	128388311	APYXAVJJOWWTIF-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)cc1C#N	132585685	UDAPJODWLWMLIA-QPEQYQDCSA-N	351.818	4.894	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)c1ccc(Br)s1	170964011	XRIDWLVXNAUFQN-RMKNXTFCSA-N	354.175	4.579	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(Cl)c1OC	171670646	WPUGQOHVSVQKDV-UKTHLTGXSA-N	366.804	4.628	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1)C1CCCCC1	732716580	VVTIBZPLHQULLE-JXAWBTAJSA-N	352.478	4.706	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)cc1	734303175	GKRIRHYDBCGVFG-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
CCSc1ccc([C@H](C)NC(=O)NNc2cc(F)c(F)cc2F)cc1	734667550	HYDGEUXMOZSLDQ-JTQLQIEISA-N	369.412	4.603	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2[N+](=O)[O-])c1C	739899813	VAPYPCZVFGPUFH-OQLLNIDSSA-N	369.808	4.642	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(SC(F)(F)F)cc2)c(C)c1	743764550	QUALCQYYCLRSQK-UHFFFAOYSA-N	354.397	4.981	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC	749449954	ATQCOBFKYQUGMF-IQFISFIMSA-N	364.445	4.727	50	20	FJGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	755283276	RTOLGOZQXZCAEL-NSHDSACASA-N	365.260	4.582	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(Cl)nc3Cl)n2)cc1	761479887	XBHVUCJVZBHFQK-MDWZMJQESA-N	357.200	4.811	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	764891314	KNYLSLCKQFSUKI-FOWTUZBSSA-N	358.353	4.953	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC(C)(C)C[C@@H]3C)s2)cc1	766002682	POGQEUDBRGVJRT-LBPRGKRZSA-N	371.506	4.548	50	20	FJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc2ccsc12	768306861	IIZZALOAYUJDJF-UHFFFAOYSA-N	366.364	4.599	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)cc(F)c1	772177344	UKKIFKZHEZPNJV-YVLHZVERSA-N	352.384	4.745	50	20	FJGD	
CC(C)OCc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	775563031	PJBHNFYDIBCVHI-UHFFFAOYSA-N	367.371	4.779	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)c1ccccc1OC(F)F	775639211	MIUWVLWFSJOHEF-XFFZJAGNSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)C(=O)C1CCCC1	781552611	ARPRXNWMTOFMKP-MTJSOVHGSA-N	356.425	4.804	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl	782305987	OMPPHHOQTZSNLW-YHYXMXQVSA-N	364.257	4.873	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2ccccc2C(F)(F)F)o1	789736403	JEAAQUWESQMWNS-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1F)c1cnc2ccccc2n1	790228126	QEYRPDTUWMWBPG-KPKJPENVSA-N	354.182	4.596	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1CCC[C@@H](OC)C1	796558945	WLWIDALZHDNVSR-RHSMWYFYSA-N	360.523	4.918	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNc1cccc(Cl)c1	797654594	QPJVHOUNXFYTGG-UHFFFAOYSA-N	352.825	4.859	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(Cl)ccc2SCC)cc1	817915843	VSYPLKWXZFUPNH-UHFFFAOYSA-N	350.871	4.608	50	20	FJGD	
Cc1ccc(SCC(=O)NN=Cc2cccc(Cl)c2Cl)cc1	916345542	FCZSXVHQBOVFHT-UHFFFAOYSA-N	353.274	4.544	50	20	FJGD	
CC1(C)CCc2cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)ccc2O1	920240945	IERNBJLFIGDFBR-FOWTUZBSSA-N	366.848	4.989	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cccc4c3OCCO4)n2)cc1	117498850	SDOQMDLTBRJMMS-GZTJUZNOSA-N	360.438	4.954	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)c1cc(Cl)cc(Cl)c1	124910362	HMBPNHUMNKDKAV-LAFDYMOFSA-N	353.186	4.753	50	20	FJGD	
Cc1ccc(-c2ocnc2C(=O)NNc2c(Cl)cccc2Cl)cc1	132777576	SWSILULKJITHQU-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CCN(CC(C)(C)O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184432827	BJIWVRGUJPNTGN-UHFFFAOYSA-N	362.364	4.969	50	20	FJGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	277495635	UTTKQFSTPATABG-UHFFFAOYSA-N	361.336	4.543	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(-c2cccs2)n1	588424909	QGJHAQYZKGSHJB-YFHOEESVSA-N	359.863	4.653	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(-c2cc(C)ccc2C)c1Cl	726428574	AIUUVLTZZIVDFE-BVTUPMQUSA-N	355.869	4.973	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1cccc(C(F)(F)F)c1	728716709	KKHASXDOVGKXGZ-UHFFFAOYSA-N	357.401	4.525	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CC(C)(c4ccccc4)C3)cc2C1	729636677	NKZYCKYEIOVDRM-YXWRBFHGSA-N	352.503	4.710	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3Cl)cs2)o1	732579826	MLUZYQOHTNMYFY-WQLSENKSSA-N	369.833	4.911	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Br)cc1Cl	742349732	JIRIODCUTQAPJT-WDZFZDKYSA-N	350.599	4.794	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc3cc(Br)ccc3[nH]2)c(C)c1	743764375	GJIQWMJYGFHACT-UHFFFAOYSA-N	372.266	4.613	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)ccc2Br)s1	761177901	WVECJLBVQXWYHP-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(O)c(C)cc2C)c1C	762702674	GYHBTNWJTZOCKI-YBFXNURJSA-N	365.477	4.773	50	20	FJGD	
C[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773324950	FQZZSUWSLCQTJO-NXEZZACHSA-N	372.359	4.539	50	20	FJGD	
CCC[C@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777844566	LTLAHLIWXCSIAI-VIFPVBQESA-N	353.378	4.811	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(Oc2ccncc2)cc1	781084134	KFZPPELDKYTIIM-HNNXBMFYSA-N	363.255	4.622	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3cc(C)cc(Br)c3o2)c1	782751911	IZDBTQCQURSDIX-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)c1cnc2ccccc2n1	789148037	MONZKPPSEZUZFR-YBEGLDIGSA-N	371.831	4.592	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(-c2ccccc2C(F)(F)F)o1	789820428	CUHOQRPAIIPJKR-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)Cc2ccccc2O1	816723260	RPUJBAPFNCYSRX-ZBFHGGJFSA-N	351.537	4.510	50	20	FJGD	
O=S(=O)(CCCCF)Nc1ccc(S(F)(F)(F)(F)F)cc1	821199417	WTBWOQPJFDFTPQ-UHFFFAOYSA-N	357.341	4.835	50	20	FJGD	
Cc1csc([C@@H](NC(=O)NNc2ccc(C(C)C)cc2)C(F)(F)F)n1	836704479	FJJHOIDRXFJTCK-CYBMUJFWSA-N	372.416	4.505	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ncnc(Cl)c1C(C)C	840549290	UMQJXTQRVCCVDY-UHFFFAOYSA-N	364.902	4.511	50	20	FJGD	
O=C(CCc1ccc2ccccc2c1)NNc1ccccc1C(F)(F)F	917410347	PRVBNKDCZFHWOU-UHFFFAOYSA-N	358.363	4.935	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3ccccc3F)cs2)cc1	60421470	MFGIRADOOFYTHD-XNTDXEJSSA-N	363.417	4.803	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2cc(F)c(F)cc2F)c2ccccc2n1	128015971	BAFLPQMDCRYSAJ-UHFFFAOYSA-N	359.351	4.532	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(N(C)C)cc1F	179240715	ODXGCWWTCZQMJB-UHFFFAOYSA-N	371.481	4.842	50	20	FJGD	
COCc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)c1	179575706	PSBPQNDUNHNMPE-RIYZIHGNSA-N	373.206	4.568	50	20	FJGD	
O=C(NN=Cc1c[nH]c2cc(Cl)ccc12)c1c(Cl)cccc1Cl	727779369	ZLGZALHENLZXMD-UHFFFAOYSA-N	366.635	4.892	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1	734266902	SYRQDUPUQNGKHA-NRFANRHFSA-N	357.413	4.849	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)c3c[nH]c4cc(F)ccc34)c2O1	737445067	VTCGEDSIKSMCHA-NVNXTCNLSA-N	360.388	4.810	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cc3c(cc2OC(F)F)OCO3)n1	747440897	WOCSHPHIGBEHDL-JYOAFUTRSA-N	364.373	4.661	50	20	FJGD	
CN(C)Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1F	754871391	HTGLAZUKZFVHJD-OAHLLOKOSA-N	356.532	4.540	50	20	FJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](Br)C(C)(C)C	768046593	CUVQVOKXEVPUFO-RISCZKNCSA-N	369.328	4.829	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	776257465	LFOGVDFDEFOLDL-MDWZMJQESA-N	363.747	4.740	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)c1nc(-c2ccncc2)cs1	782889759	LYBXYVJNINWIBS-CHHVJCJISA-N	365.845	4.858	50	20	FJGD	
O=S(=O)(NCC1CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782984823	WYGGMRDISZZZKI-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1cc(-c2ccc(Cl)cc2)no1	785378800	SSBRSJRSJBSGKK-MHWRWJLKSA-N	364.788	4.645	50	20	FJGD	
COCC1(C)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	788669486	NNNBKPORRSNGLD-UHFFFAOYSA-N	360.348	4.844	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1C[C@@H]1c1cccc(F)c1F	791734646	NHFMFMOJHCTVFF-OLZOCXBDSA-N	357.187	4.518	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2F)c(C)cc1Cl	793706208	KUYACSXJILYUKH-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1sc(CC(=O)NNc2cccc(Cl)c2Cl)nc1C(C)C	838351481	YWYLMMGIAPMEPL-UHFFFAOYSA-N	358.294	4.568	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)nc2C)c1C	914721714	HCFBPUTXJXVTSN-UDWIEESQSA-N	364.493	4.771	50	20	FJGD	
O=C(CCl)Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1	1336893925	SUMSKQOEWVLKER-UHFFFAOYSA-N	371.771	4.554	50	20	FJGD	
O=C(NN=C1CCCC[C@@H](c2ccccc2)C1)Nc1ccc(C(=O)O)cc1	1776045276	ODTYGFPWNBDAJX-QGZVFWFLSA-N	365.433	4.610	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1	11333192	ITFKRMZDWVDNFY-WYMLVPIESA-N	369.446	4.537	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2[N+](=O)[O-])oc2c1ccc1ccccc12	15423190	PZXANNHPYXPVNG-UHFFFAOYSA-N	361.357	4.560	50	20	FJGD	
COc1ccc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	25592742	MUBKLTYHFWAEOI-WGBIJJAVSA-N	368.483	4.698	50	20	FJGD	
Cc1ccc(NNC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1Cl	98111274	KGQMOEMPHKOKGQ-UHFFFAOYSA-N	367.836	4.938	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(Cl)c1OC	107066751	ZZRGWMAPYOCQMO-JYRVWZFOSA-N	362.212	4.800	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3sccc3C)cs2)c1	128118189	QWKUFEYYYJFHPX-ZSOIEALJSA-N	366.467	4.979	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(CCC(F)(F)F)cc1	181290496	GZQNPAWYSMGBSP-UHFFFAOYSA-N	373.378	4.795	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H]1C=CCCC1	183575948	WTQOFBFKOXLJGH-JTQLQIEISA-N	370.343	4.507	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2cccc(F)c2)c1C	736502071	KYIQQXCMUKWTMB-PDGQHHTCSA-N	367.468	4.613	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2ccc(Cl)cc2[nH]1	747591400	VCADRFZTHBBFRB-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1cc(Cl)ccc1Cl	752810753	FBWNQKFGMDGYCW-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(F)c(C(F)(F)F)c2)n1	755404697	ARZTWWMIOMBIKM-YHYXMXQVSA-N	370.327	4.542	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)Nc1cc(Cl)ccc1Cl	756019220	PMQWHZPVYRAWBE-UHFFFAOYSA-N	371.171	4.617	50	20	FJGD	
COC[C@H](C)NC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	762441435	APAZHUKDJYJUQO-QMMMGPOBSA-N	350.378	4.665	50	20	FJGD	
C[C@@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn(C)c1	762521555	QQQAXLLLDNKOPB-SECBINFHSA-N	355.332	4.820	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1csc(-c2ccccc2)n1	763617555	NTLDMRSKYPJPDH-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC2(C#N)CCC2)c(C)n1C1CCCCC1	768090852	IEOLFEXKTONLQJ-UNOMPAQXSA-N	365.477	4.754	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)C(=O)c1ccc(Cl)cc1F	773154856	NPTANKFPVFTGRW-XCVCLJGOSA-N	364.159	4.651	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(-c2ccco2)s1	779202071	SCKQNUSQPNHXJR-UHFFFAOYSA-N	368.336	4.664	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccccc1F	789128244	OVYQZCYSYXSNBK-GDNBJRDFSA-N	365.795	4.514	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCC3CC3)cc2)c(C)c1	790100884	JJCVSBIEFMCYFG-NDENLUEZSA-N	360.457	4.946	50	20	FJGD	
CC1=C(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C(=O)OC1(C)C	792548551	SBKUKEJJKBSDMI-UHFFFAOYSA-N	371.327	4.934	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)CCc1ncc(-c2ccc(C)cc2)o1	799761696	OTJDWTAYLVLQLR-UHFFFAOYSA-N	363.461	4.597	50	20	FJGD	
OCC[C@H](NCc1ccc(OCCCCl)cc1)c1ccc(Cl)cc1	811508071	XYDPIBMSWLCQGT-IBGZPJMESA-N	368.304	4.561	50	20	FJGD	
Cc1noc(CN(C)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	847170506	ZMYSKDKKISZGNN-UHFFFAOYSA-N	372.319	4.699	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c3ccccc23)cc1	915983650	DOZHJCQTONCGBX-SAPNQHFASA-N	372.424	4.793	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	1321646720	WCCLXWODKMEKGH-PGMHBOJBSA-N	373.500	4.957	50	20	FJGD	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccccn2)cc1OC	6209274	GLYDJESHRAXWAS-NTEUORMPSA-N	373.250	4.706	50	20	FJGD	
COc1cccc2c1CC[C@@H]2NC(=O)CCCC[C@H]1CCSS1	153804066	NRIPCFKBLCIVPV-BBRMVZONSA-N	351.537	4.513	50	20	FJGD	
Cc1cc(C)c(NNC(=O)NCc2cccc(COC(C)(C)C)c2)c(C)c1	726280363	MKTVIXBVFWXTTK-UHFFFAOYSA-N	369.509	4.753	50	20	FJGD	
O=C(NNc1nc2cc(C(F)(F)F)ccc2s1)Nc1ccc(F)cc1	743813485	QOWBQMAYFWFXPJ-UHFFFAOYSA-N	370.331	4.603	50	20	FJGD	
CCSCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747599546	NLWBQSFKCSARIC-UHFFFAOYSA-N	354.397	4.715	50	20	FJGD	
Cc1cc(COC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c2ccccc2n1	769976627	RCJCHEVYPMGZTM-SOVGHPHASA-N	374.278	4.540	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(F)c(C#N)c3)n2)cc1	770572454	ISQZCNBNYWDHSX-CXUHLZMHSA-N	361.401	4.894	50	20	FJGD	
COc1ccccc1-c1cccc(NC(=O)NNc2c(F)cccc2F)c1	775615336	MONPGFLGCHHVAZ-UHFFFAOYSA-N	369.371	4.789	50	20	FJGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)c2cccc(OC(F)F)c2)C1	780225443	LGSMSIPXSJKXPC-FQEVSTJZSA-N	358.388	4.516	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	785332825	FVHHDQRASHLOPZ-GEBKJHSDSA-N	373.431	4.620	50	20	FJGD	
CC(C)c1nc2ccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)cc2s1	787217186	RIWYUALCBZOFRF-NTEUORMPSA-N	363.442	4.671	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3cccc(Br)c3)sc12	809587386	OBTBPPSGUIDGHC-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc1	810251854	ZWIPDYVJAIUAEN-SDQBBNPISA-N	366.726	4.605	50	20	FJGD	
CC(C)(NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	821574070	QODUOKJYSFXKBJ-UHFFFAOYSA-N	372.359	4.587	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cccc(Cl)c1Cl	838345335	MYNNHNHRNRNHHE-UHFFFAOYSA-N	352.265	4.831	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1CN	841178289	CCRHMIMPRORXCQ-GHMZBOCLSA-N	373.391	4.793	50	20	FJGD	
C[C@H](N)[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841180049	WKVPGSDFSIUZLO-WDEREUQCSA-N	373.391	4.935	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3cccc(Cl)c3)o2)cc1	912719157	NYEBYWQVTAUYIR-UHFFFAOYSA-N	354.793	4.560	50	20	FJGD	
COc1cccc2cc(CNCc3ccc(OCCCCl)cc3)oc12	1332942361	XPEMGRJMRUFEGL-UHFFFAOYSA-N	359.853	4.739	50	20	FJGD	
CC[C@@H](CCC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776710644	AGBBUZRBCRYBMO-INIZCTEOSA-N	351.563	4.804	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2cccc([N+](=O)[O-])c2)c1	182071857	PMUDYWLEWLXJCZ-UHFFFAOYSA-N	371.462	4.695	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC(CO)CC1	184411279	KFVQGWQGVATHFC-UHFFFAOYSA-N	360.348	4.580	50	20	FJGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H](C)c1cc2ccccc2o1	188272119	BXHIXPRWAGSAPO-PWDRBQJJSA-N	360.413	4.655	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1)c1ccccc1	211450505	SUGNRCFOCJSVIG-CJAAZZPWSA-N	362.401	4.520	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	588419704	PGCWCLLPDNTDQF-JLHYYAGUSA-N	360.385	4.556	50	20	FJGD	
CC[C@H]1CCCC(=NNC(=O)c2sc(-c3ccc(OC)cc3)cc2N)C1	734978685	RUSFNBVUTWEVGT-ZDUSSCGKSA-N	371.506	4.692	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2cc(F)ccc2o1	735516199	IMTFFZCUPPCSKH-UHFFFAOYSA-N	355.756	4.530	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1OC(F)F	735617245	WSOFQUBQCQJCLG-UKTHLTGXSA-N	355.344	4.546	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(Cl)ccc2Cl)cc1	744491528	PIEHRVIIRIUOGU-MDWZMJQESA-N	362.212	4.652	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(Cl)cc2cccnc12	748018874	QXENUHIIILZOFI-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CC(C)Oc1ncc(C(=O)NNc2cc(Cl)ccc2Cl)cc1Cl	752810426	PWSGWNYUYHYGOE-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
C=C[C@@H](CC(=O)NNc1ccc(Br)cc1C)c1ccccc1	759661568	BLCIDAPJSNVKCW-AWEZNQCLSA-N	359.267	4.561	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl)c1ccccc1	761387628	XVXDONWNOSEESI-QWSHFYNQSA-N	367.811	4.525	50	20	FJGD	
CCCNc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	765929709	RTVCSKYDLAIIQC-QGZVFWFLSA-N	352.569	4.839	50	20	FJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccccc1Cl	780656427	ILGQJAKVRBTFED-UHFFFAOYSA-N	365.842	4.507	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(C(=O)O)cs3)n2)cc1	782199526	GKJRDTNSPPJNRX-WUXMJOGZSA-N	368.439	4.643	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)c1nc(-c2ccc(C#N)cc2)cs1	794938379	OZMLFVCGXRDLCW-NTUHNPAUSA-N	365.364	4.730	50	20	FJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccccc1Cl	795194314	UUAQLXHTBARWAC-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Cc1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	795351674	DLKBIPJGDVCDBZ-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C/c1csc(-c2ccc(Cl)cc2)n1	797346074	UZIGCFYZPZCJFM-GXDHUFHOSA-N	359.882	4.677	50	20	FJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)c1nc(C(C)C)cs1	797399683	YYKWNPJVDBQBBX-UVTDQMKNSA-N	350.447	4.525	50	20	FJGD	
Cc1nc(-c2ccccc2NC(=O)NNc2c(C)cccc2F)cs1	797668456	BBQDMSODVKXDKK-UHFFFAOYSA-N	356.426	4.715	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)ccc1C#N	799494488	GQISNWBEEJVVDZ-AWNIVKPZSA-N	351.818	4.894	50	20	FJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1ncccc1F	804213476	LFSGKWMGZRNOCD-UHFFFAOYSA-N	353.850	4.523	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2ccccc2s1	812019158	DQGXRGGIJLHPDW-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1cc(Cl)ccc1Cl	813494606	TWAXTNSKJVCSJC-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
C[C@@H](N)[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190257	NXUTWPZFSYJZJS-MNOVXSKESA-N	373.391	4.935	50	20	FJGD	
C[C@H](CN(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	841840462	YZCFYQBVZFKBEV-MRVPVSSYSA-N	362.320	4.528	50	20	FJGD	
COc1ccc2c(c1)CCCN2C(=O)CCCC[C@H]1CCSS1	913193124	ZJIDMZDNWIODIW-INIZCTEOSA-N	351.537	4.689	50	20	FJGD	
CC1CCN([C@H](CNC(=O)CCCC[C@H]2CCSS2)C(C)C)CC1	915084072	XDIRIXGEGRGSPG-ZWKOTPCHSA-N	372.644	4.573	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2)cc1	917518152	WLFOYVRZDBBDKH-PXNMLYILSA-N	352.242	4.640	50	20	FJGD	
O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1ccc(S(F)(F)(F)(F)F)cc1	1549983127	JXWGWZXHOCVAQM-KGLIPLIRSA-N	371.371	4.889	50	20	FJGD	
CCC(=O)Nc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	53665353	HFSFKIGVDMNXPY-HNNXBMFYSA-N	352.525	4.688	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1C[C@H]1c1c(F)cccc1F	116222898	LBRZEHGVQSGGEP-LALPHHSUSA-N	357.491	4.651	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccc(C)cc2)cc1OCC	120439437	VBUBVNXINWOWOD-UHFFFAOYSA-N	362.857	4.593	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nc1	175175480	MQPYVICPDTXXSJ-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c(SC)cc1OC	184839962	FQNDVWFNWXPANO-CXUHLZMHSA-N	353.443	4.524	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)c1nnc2n1CCCCC2	195171922	APRRKYXUGLELCV-NTCAYCPXSA-N	364.449	4.936	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1nc2ccccc2s1	195663764	QXZNAQYICBBZKQ-UHFFFAOYSA-N	353.234	4.752	50	20	FJGD	
CC(C)[C@@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	728516290	IPZQKHQSJYSMNM-OAHLLOKOSA-N	361.829	4.521	50	20	FJGD	
Cc1cccc(NNC(=O)Cc2cccc(OCc3ccccc3C)c2)c1	731784130	HHJQLBLXCSMHFU-UHFFFAOYSA-N	360.457	4.568	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H](Sc1ccccc1F)c1ccccc1	732265674	WBWJRHSQTWOISX-IBGZPJMESA-N	352.434	4.802	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3csc(-c4ccc(F)cc4)n3)nc12	741474349	XPFUMWRHUQWPJC-MDWZMJQESA-N	361.405	4.593	50	20	FJGD	
COc1sc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1Br	746519273	BAJIUGNNHCYPDP-POHAHGRESA-N	374.263	4.768	50	20	FJGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	748249604	CBRRDDIDNSNPKH-CYBMUJFWSA-N	373.522	4.938	50	20	FJGD	
O=C(NNc1cccc2cnccc12)C1(c2ccc(Cl)cc2)CCCC1	748759491	UFTTZFVGKIEDQS-UHFFFAOYSA-N	365.864	4.843	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(F)c2)c1C	754681085	VVQNSWUFYLOUTB-RIYZIHGNSA-N	360.335	4.590	50	20	FJGD	
CC[C@H](CC(F)(F)F)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	760765260	QBQNFDIUNSOFQH-QOTSWMAJSA-N	369.431	4.515	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(-c3cccnc3)c2)cc1	768467887	UWQHCZIXFGWMOK-KGENOOAVSA-N	353.425	4.857	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(SC)c2C)cc1	775587522	CTCXSGARZNIPKL-VBKFSLOCSA-N	352.459	4.661	50	20	FJGD	
C[C@@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1C	777984977	OFIMTERSXJODLN-AOOOYVTPSA-N	365.389	4.621	50	20	FJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)NCc1cccc(Cl)c1	786056096	LZEMRFVUKSVGKD-UNOMPAQXSA-N	373.843	4.625	50	20	FJGD	
CC(C)(O)[C@@H]1CCCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788021544	QKMVSDGKCVNZGC-IBGZPJMESA-N	363.618	4.944	50	20	FJGD	
CC[C@](C)(NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(=O)OC	794463432	SUCXFOBZAMGCHS-FQEVSTJZSA-N	365.590	4.640	50	20	FJGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	794870376	VKGXONVSVRUNIU-SAPNQHFASA-N	372.428	4.802	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccnn3-c3ccccc3C)c[nH]c2c1	794874285	FSKZKXIGYOKVBD-ATVHPVEESA-N	366.424	4.760	50	20	FJGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)NNc1ncccc1F	806261004	ZXPUSFKWLGSHNA-UHFFFAOYSA-N	354.838	4.523	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2nc(C(F)F)[nH]c2c1	812767218	GJRSXILQMKAJRC-UHFFFAOYSA-N	358.392	4.689	50	20	FJGD	
O=C(Nc1cc2c(cn1)CCCC2)NN(Cc1ccccc1)c1ccccc1	813013757	CQNVTZGUAYXUCJ-UHFFFAOYSA-N	372.472	4.704	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)c(Br)s1	837054095	LPIQXXOOOIGFDK-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
C[C@@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)c1csnn1	839664493	YDAAXIJWKXADAF-CQSZACIVSA-N	363.603	4.911	50	20	FJGD	
C[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1CN	841178143	APWQZWBDNNAONF-GXFFZTMASA-N	373.391	4.935	50	20	FJGD	
C[C@H](N)[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190258	NXUTWPZFSYJZJS-QWRGUYRKSA-N	373.391	4.935	50	20	FJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1	915844504	CYEFGMVHNCZKDQ-RGEXLXHISA-N	354.409	4.950	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2-c2ccccc2)c1	917516194	NHZUEYVJTXQFLJ-XMHGGMMESA-N	354.409	4.908	50	20	FJGD	
O=C(/C=C\c1cccnc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558890	KEQCONANZYJRAV-LZNQSLFOSA-N	372.799	4.953	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2Cc2ccccc2)cnn1C1CCCC1	1118332762	DPVLFMPFYAYPKP-UHFFFAOYSA-N	374.488	4.654	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)CC1	1776779127	UCNRUNVFFMCZJS-LDADJPATSA-N	357.425	4.997	50	20	FJGD	
CN(c1cccnc1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	188041115	LQVSYNRNOSGMNF-UHFFFAOYSA-N	374.356	4.564	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H]1CC=CCC1	193297347	TZMNYVOFEIDNSR-SNVBAGLBSA-N	370.343	4.507	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1	301398482	GPJVTKCZYYJPQL-ZHZULCJRSA-N	354.409	4.811	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1sccc1Br	588467439	HQRDHIQNOUPMBX-XYOKQWHBSA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C\c1sccc1Cl)C(=O)Nc1ccccc1C(F)(F)F	588600643	BHEJTIYJJJMECY-VQHVLOKHSA-N	356.756	4.966	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1Br	727654772	KSYOLRVAPPJVET-DHDCSXOGSA-N	370.246	4.864	50	20	FJGD	
CCc1sc(C(=O)NNc2ccc(Br)cc2Cl)cc1C	729275398	HJRZOLQHYVJFEC-UHFFFAOYSA-N	373.703	4.792	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cc([N+](=O)[O-])ccc1Cl	756989571	BPDHLSYDQILVEU-CYBMUJFWSA-N	374.915	4.579	50	20	FJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccccc1SCc1ccccc1	765111939	CDVLMPZQBRFXFR-UHFFFAOYSA-N	373.478	4.540	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c(C)n1Cc1ccco1	772175264	HUSLMNRNSTVMMK-REZTVBANSA-N	366.367	4.814	50	20	FJGD	
Cn1nc(C2CCCC2)cc1NC(=O)CCCC[C@H]1CCSS1	782098519	OECHWUBSYSTTIH-AWEZNQCLSA-N	353.557	4.730	50	20	FJGD	
C=CCCN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	786134490	JYWDTOFCEMLTOI-UHFFFAOYSA-N	351.362	4.541	50	20	FJGD	
CCC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H](O)c1ccccc1	792575094	PTQWWNAPOLKNAI-LNLFQRSKSA-N	367.580	4.719	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ncc(-c2cccc(Br)c2)[nH]1	794955096	UNFNTVPLXRJXFA-UKTHLTGXSA-N	372.266	4.751	50	20	FJGD	
FC(F)Oc1ccccc1CNCc1ccc(OCCCCl)cc1	811473409	XXJDMVBHVBZHQI-UHFFFAOYSA-N	355.812	4.586	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(O)cc(C(F)(F)F)c2)c(C)c1	811626884	OYNWCCMQMAGTEX-MKMNVTDBSA-N	360.335	4.574	50	20	FJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244534	DFCHVCYMFXJRDS-YRNVUSSQSA-N	351.309	4.666	50	20	FJGD	
CC(C)C1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	815069644	JCMCUTCIHKWUAC-UHFFFAOYSA-N	365.389	4.811	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1nc(C(F)(F)F)cs1	920929988	ZRQSOTJOOUYIBD-UHFFFAOYSA-N	371.171	4.617	50	20	FJGD	
Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)CCl	1319798062	ZPUDDNCJVAMCKO-UHFFFAOYSA-N	359.832	4.909	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1	6427776	PMBPCFANJKFILJ-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)c1ncc(C(F)(F)F)cc1Cl	66407702	SFGKGDWEUVHRPK-WTKPLQERSA-N	354.763	4.839	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1	128406190	KZFZQNBJBXIIFI-NVNXTCNLSA-N	369.808	4.719	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	171114467	DDCLPLNXJQYZLZ-CXDFQFJYSA-N	367.408	4.676	50	20	FJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2cccc3cnccc23)C1	179771723	RKEFSGLIXKIOBM-PKOBYXMFSA-N	369.509	4.834	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(c3ccccc3)CCC2)c1C	302877560	HDCDUVQLMZLIMW-HKWRFOASSA-N	361.489	4.618	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	727759221	STCLYSSYRWMDLR-UHFFFAOYSA-N	354.397	4.963	50	20	FJGD	
CC(CCc1ccc(F)cc1)=NNC(=O)c1c(Cl)cccc1Cl	727778598	BEUWGCKTQMQWPK-UHFFFAOYSA-N	353.224	4.871	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	742042080	INSNGZXHRLRKGL-LSDHHAIUSA-N	355.652	4.894	50	20	FJGD	
CN(Cc1ccc(C(F)(F)F)cc1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750033024	LRDZOWDZSDMZBF-LICLKQGHSA-N	361.323	4.610	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)c1nc(-c2ccc(C#N)cc2)cs1	759077117	QEDCFGGLWVWWNJ-XGICHPGQSA-N	354.847	4.856	50	20	FJGD	
O=C(NN=Cc1cnc(C2CC2)s1)c1cc2c(s1)CCCCCC2	761805509	SEMRJDQBIYNQTG-UHFFFAOYSA-N	359.520	4.505	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1OCc1ccc(F)cc1	771689151	ULMQQKWCSWQJJG-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
CCOc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1OC	775456605	XYBLTPCXJKKQJJ-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
COc1c(Cl)cccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	775557197	WBGCMMCWHPBKDY-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)Nc1ccc(Cl)cc1	789128891	VEUVBRZIVXYGGW-DHZHZOJOSA-N	355.806	4.602	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)C(=O)Nc1ccccc1	790100743	HUOKNQFRQBPGHT-ACCUITESSA-N	350.324	4.770	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1c(F)cc(F)c(F)c1F	797646597	BXJMVFSBHBLRDU-VIFPVBQESA-N	367.433	4.573	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccc(Br)cc3)cc2c1	810042405	SXGABCQIQGUQBM-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
Cc1cccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1F	834405905	ZUGFMJHQTDVDHS-UKTHLTGXSA-N	365.433	4.787	50	20	FJGD	
C[C@@H]1C[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1	841179547	POQJQCVZUWBLMA-MWLCHTKSSA-N	359.364	4.606	50	20	FJGD	
NC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179556	PZBWKNWMOUXGAM-MWLCHTKSSA-N	359.364	4.593	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCO[C@@H](CF)C1	841690411	PNHNEQPWUAWOLT-JTQLQIEISA-N	364.311	4.546	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)C1(C(F)(F)F)CCCCC1	857607172	SJQQAEDOXNVTIA-UHFFFAOYSA-N	368.311	4.561	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1OC	864921743	SOTCMUFUWVUUDA-OVCLIPMQSA-N	370.836	4.520	50	20	FJGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=Cc1ccccc1Cl	916341687	KBCSSZRFNIBEDY-CYBMUJFWSA-N	365.260	4.528	50	20	FJGD	
CCCSCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	917631576	QYYFYBNVALERDQ-GFCCVEGCSA-N	357.850	4.988	50	20	FJGD	
Cc1ccc(NNC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1Cl	1323918960	WJPJCFGUPNCWHF-UHFFFAOYSA-N	364.701	4.702	50	20	FJGD	
C[C@H](CCCNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776413337	LBPZBTBPFDSUMM-OAHLLOKOSA-N	351.563	4.661	50	20	FJGD	
CN(CC1CC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	47482079	GPEBINBSKWRFFF-GFCCVEGCSA-N	352.809	4.780	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1	134553842	IADKNDNFDLHLLG-UHFFFAOYSA-N	371.462	4.695	50	20	FJGD	
C=CC(=O)Nc1cc(NC(=O)CCCC[C@H]2CCSS2)ccc1F	136613878	KOKUKUWBKUXTIY-ZDUSSCGKSA-N	368.499	4.603	50	20	FJGD	
COc1ccccc1[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	150805501	MMUBVALCOSVAIO-HOTGVXAUSA-N	365.564	4.725	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	195620204	UDHCVVQRGHRFFD-JYRVWZFOSA-N	361.228	4.938	50	20	FJGD	
CC1(C)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@@H]1O	277418200	MGFHQYUCOIDLQN-LBPRGKRZSA-N	374.375	4.969	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(SC)c(OC)c1)c1ccccc1	588558628	ORMARSVGBQIBMY-XCMFGDQWSA-N	366.486	4.592	50	20	FJGD	
CC(C)(C)[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	726705801	SMJUGHJHASKDHK-MRXNPFEDSA-N	363.408	4.702	50	20	FJGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1cccc2ncccc12	730147669	ZRWVBTHCKQZZDU-UHFFFAOYSA-N	365.845	4.867	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1Cl	741468804	LOVCOZKFKZVJAY-ZROIWOOFSA-N	350.805	4.928	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(OCC(F)F)cc3)c[nH]c2c1	741845095	VRTFJVZTVZFWMA-OQLLNIDSSA-N	366.367	4.910	50	20	FJGD	
Cc1ccc(OC[C@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1	742434136	ZLPRWUSHJCMTEW-DOTOQJQBSA-N	353.553	4.593	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1Br	746880767	CFQJXASYZXNSMM-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
N#CC1=CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CC1	767158301	WJMHYUJJISHHQS-UHFFFAOYSA-N	373.431	4.589	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2Br)c1C	767718237	RGPCJASATQRCOR-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2F)c1C	770068894	MVGNAMGINNXDBS-ATVHPVEESA-N	369.440	4.598	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1C	772175230	DXIJLPIZIKSMGD-NTEUORMPSA-N	374.412	4.864	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(F)c2ccccc12	795174923	YMFZHAMDQOCZDU-UHFFFAOYSA-N	364.298	4.634	50	20	FJGD	
Cc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)o1	915923091	WKVAGEVDFFZPRY-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
COc1cccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)c1OC(C)C	916323356	BWYVWQYLHFOOQK-UHFFFAOYSA-N	368.477	4.544	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c1C	916481742	AIHIRZPWWQOLCH-WPBGYSLVSA-N	369.292	4.549	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)c1nc(-c2ccc(C)cc2)no1	917622023	MHVODOIPSIKPPV-OQLLNIDSSA-N	351.793	4.771	50	20	FJGD	
N#C/C(C(=O)c1c[nH]c2cc(Cl)ccc12)=C1\COc2ccc(F)cc21	918156327	URMDJSMDYNUGCR-PEZBUJJGSA-N	352.752	4.513	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)C(=O)C1CCCC1	1320223679	FTLKQCWUTDOXKY-GHXNOFRVSA-N	357.303	4.556	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)c3nc4ccccc4n3C)cs2)c1	98068008	HIJZYTLUTBQDKU-GDNBJRDFSA-N	372.453	4.770	50	20	FJGD	
CSc1ccsc1C(=O)NNc1c(Cl)cc(F)cc1Cl	124491242	XQCYKEGZWNPGTO-UHFFFAOYSA-N	351.255	4.673	50	20	FJGD	
CSc1cc(C(=O)NNc2cc(C)ccc2F)c(Cl)cc1Cl	134241843	UVVWERMCEKXASP-UHFFFAOYSA-N	359.253	4.920	50	20	FJGD	
Cc1ccsc1/C=C(/C#N)c1nc(O)c2cc(Br)ccc2n1	255758817	WGSBUFDXVTWRKG-POHAHGRESA-N	372.247	4.532	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccc(OCCCC#N)c2)c1C	726787575	OVBNREQYWVTPHY-ZHZULCJRSA-N	373.456	4.763	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1cccc2ccccc12	727975192	BHWSQKSZTOLLGO-ZSOIEALJSA-N	352.315	4.803	50	20	FJGD	
C/C(=C\C(=O)NNc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	748219019	JGXXBAVZRAQDIF-PKNBQFBNSA-N	354.759	4.905	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773149130	KVCBZHVHIMXSTQ-WZUFQYTHSA-N	369.701	4.993	50	20	FJGD	
O=C(CCc1ccc2[nH]ccc2c1)NNc1c(Cl)cc(F)cc1Cl	775797792	CAXJTQQAUFSUOY-UHFFFAOYSA-N	366.223	4.690	50	20	FJGD	
CCOc1ccc([C@H]2CCCN2C(=O)[C@H](Br)C(C)(C)C)cc1	781071192	TXASYHNVCQFTOQ-CVEARBPZSA-N	368.315	4.558	50	20	FJGD	
N#C/C(=C/c1cc(C(=O)O)cs1)C(=O)c1cc(Cl)cc(Cl)c1	782201636	WPGSNXJGPBBNNI-OQFOIZHKSA-N	352.198	4.543	50	20	FJGD	
COc1cc(NNC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl	788544645	CDLLIMHJOBUTSS-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(C)c(Cl)c1F	790001126	RVOVZKVKHMLYDY-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2c(F)ccc(Br)c2F)sc1C	799893435	ZLGTUEIWHLPFKD-UITAMQMPSA-N	355.207	4.865	50	20	FJGD	
N#Cc1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	808105646	LEGCPPWDXDYQNT-UHFFFAOYSA-N	374.312	4.609	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1cc(Cl)cc(Cl)c1	810199120	PXRJHFKFWXQJLM-MKMNVTDBSA-N	371.223	4.858	50	20	FJGD	
N#C/C(=C\c1cc(O)ccc1Br)c1cc(C(F)(F)F)ccn1	812248195	GMOSGXUQTZQCAW-BJMVGYQFSA-N	369.140	4.633	50	20	FJGD	
O=C(CCCC1CCOCC1)NNc1ccccc1Oc1ccccc1	846460808	GGTXOQBMRDXKMF-UHFFFAOYSA-N	354.450	4.519	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccco2)c(C)n1C1CCCCC1	874082524	WXZLHBVRGNVSQP-CPNJWEJPSA-N	365.477	4.769	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3ccco3)c2C)c1	874083725	PSXRZTZOVCOCBX-DEDYPNTBSA-N	373.456	4.561	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)C(=O)NCc1ccccc1	917516226	PNRMTISCUQCQCA-WQRHYEAKSA-N	362.429	4.778	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1F	1320164654	JZUCWSZEGIDUPA-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(-c2cccs2)s1	1320303746	ASARXAFYWKSBHV-UHFFFAOYSA-N	351.456	4.782	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(C(F)F)c2)c1C	1320847275	HTFRVLWNZYWINW-ODLFYWEKSA-N	371.431	4.676	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3cccc(CC(=O)O)c3)cc2)o1	1777433675	TUKASSWRXARERJ-RGVLZGJSSA-N	371.392	4.672	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(F)cc(C(F)(F)F)c1	153730280	VGGDMAQMQAPRMM-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(F)cc1	211442727	RVKOIDAIBQWSQR-QBFSEMIESA-N	350.324	4.770	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC	213091094	VDLZDQXPHAMJPU-AQTBWJFISA-N	364.445	4.728	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCCCC#N)c2)c1C	726741978	KZBTWAOYFFVXLF-CPNJWEJPSA-N	359.429	4.532	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)c3cccc(C)c3C)c2C)no1	727827640	JYCCIGIZQMFQJF-YBFXNURJSA-N	359.429	4.797	50	20	FJGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNc1ccc(Cl)cc1Cl	748008089	NWQDIOUFRJOUII-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1cccc2c1CCCC2	748584933	DHQOZTCXBWQFTQ-UHFFFAOYSA-N	363.486	4.754	50	20	FJGD	
C=CCC[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	779013013	XIJVTACZDSBNLC-QGZVFWFLSA-N	373.378	4.770	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnc(C2CCC2)s1)c1ccccc1	787141773	PTEMULDUADVMCL-QMJOVRGKSA-N	351.475	4.585	50	20	FJGD	
COc1cc(NNC(=O)/C(C)=C/c2ccccc2Cl)ccc1Cl	790171122	FGKAHPSBIJOSQQ-PKNBQFBNSA-N	351.233	4.549	50	20	FJGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl	810251318	QLRAWEBOWLMHRX-WMZJFQQLSA-N	353.687	4.726	50	20	FJGD	
CC[C@@](C)(NCc1ccc(OCCCCl)cc1)c1nc(C)cs1	811481199	RFXFILNTMFHKSE-GOSISDBHSA-N	352.931	4.874	50	20	FJGD	
COC(=O)c1cn(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c(C)n1	829391052	VGOKGXRKACMDEI-UHFFFAOYSA-N	374.557	4.548	50	20	FJGD	
CC[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	850660323	FRJVQLGMYJNNMY-LBPRGKRZSA-N	372.359	4.587	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(F)F)c1	915984939	CYZMZOYKKIIBKW-NTUHNPAUSA-N	363.747	4.740	50	20	FJGD	
CCC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)C(C)C	916295336	QJUFXAGDWCNQOQ-UHFFFAOYSA-N	370.522	4.538	50	20	FJGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1C1CC1	916359280	SPFIOVUPIVOVBA-UHFFFAOYSA-N	350.249	4.511	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1cc(Cl)cc(Cl)c1	921138303	DDANAUMCSHRJRC-UUASQNMZSA-N	368.223	4.969	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(N)c4ccccc4n3)o2)cc1	1317877857	RCODOONTKNNLJU-FOWTUZBSSA-N	352.397	4.845	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(C(C)(C)c3ccccc3)o2)cc1	1325782971	JETGGPNZIYNNMH-SAPNQHFASA-N	359.429	4.858	50	20	FJGD	
Cc1ccc2cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c(Cl)nc2c1	7156528	IASVVZSPZZRJEQ-XNTDXEJSSA-N	365.795	4.881	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1C	7608394	XDJWFUREDZGLGO-DEDYPNTBSA-N	363.461	4.653	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cccc(OCc3cccc(C#N)c3)c2)n1	55038457	YBEVKVOJVAHKSV-OCKHKDLRSA-N	357.438	4.966	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1Br	105570828	BMORSBUSVSYAKK-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)ccc1OCC(F)(F)F	131111746	YFGXDGPVWXXBSQ-QPEQYQDCSA-N	355.356	4.549	50	20	FJGD	
CCc1c(NC(=O)CCCC[C@@H]2CCSS2)cnn1CC(C)C	157591751	NNBIMPMWUNPGDB-CQSZACIVSA-N	355.573	4.754	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)c1c[nH]c2ccccc12	210660604	QUNOAPKZPFRPRL-JYRVWZFOSA-N	351.203	4.720	50	20	FJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)c1cc(F)cc(F)c1	588597587	PJZLUALDZRBKSK-UITAMQMPSA-N	354.175	4.579	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCCO3)c1C	727655208	REUYCHDZFHUNEC-CXUHLZMHSA-N	367.832	4.908	50	20	FJGD	
O=C(NNc1ncccc1Cl)[C@H](Sc1ccccc1)c1ccccc1	734246433	VOCRCDHISSUCTQ-QGZVFWFLSA-N	369.877	4.712	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1Br)c1cccc(Cl)c1	748065516	DKPSPXMLEYRIAF-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	767351897	LVWNTZXXVKYGMY-SXGWCWSVSA-N	352.242	4.640	50	20	FJGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)c2cc3ccccc3cc2O)C1	780186886	ADUFFQZOLRLZLH-QHCPKHFHSA-N	358.441	4.773	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)C(=O)C1CCCC1	781552610	ARPRXNWMTOFMKP-CIAFOILYSA-N	356.425	4.804	50	20	FJGD	
C[C@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1C	782985706	TZZGSAOZQIFOJE-UWVGGRQHSA-N	365.389	4.763	50	20	FJGD	
COc1cc(NNC(=O)c2csc(-c3ccccc3C)n2)ccc1Cl	790174666	KAQGKHJQWRUUJL-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccnc(Oc2ccccc2)c1	791726154	DUOZCIWTJFWSCA-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CCOCc1cccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1	792285500	INQCUIQZKMCJJW-UHFFFAOYSA-N	354.237	4.679	50	20	FJGD	
CCCN(N=C(C)c1sc(-c2cccnc2)nc1C)C(=O)OC(C)(C)C	794997540	XBZULDSPDUMMNS-UHFFFAOYSA-N	374.510	4.885	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(NC(=O)C(C)C)ccc1C	799386093	PVPAVGAIYGDWDJ-UHFFFAOYSA-N	368.481	4.609	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)cc1Br	799755829	LGVHPLVGUIXNLT-UHFFFAOYSA-N	367.674	4.730	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCCC23CCOCC3)cc1	799868962	CXUGUJUOKQMWOQ-UHFFFAOYSA-N	372.509	4.712	50	20	FJGD	
COc1cccc([C@H]2C[C@H](NC(=O)CCCC[C@H]3CCSS3)C2)c1	836996613	RHVLDJKFMKMKKZ-BQFCYCMXSA-N	365.564	4.772	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]	921138513	PGVLHAGCXWDPTR-PQMHYQBVSA-N	361.184	5.000	50	20	FJGD	
O=C(CSCc1cccs1)NNc1c(Cl)cc(F)cc1Cl	1319797713	MURDAMKIOLNJNA-UHFFFAOYSA-N	365.282	4.571	50	20	FJGD	
COc1cccc2sc(NC(=O)CCCC[C@@H]3CCSS3)nc12	25403159	HDEJZINXKDPAKC-LLVKDONJSA-N	368.549	4.958	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1F	96948623	IPKGEGPHXSFPHK-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1	181125850	MYDRHNPTNREWPI-UHFFFAOYSA-N	351.425	4.875	50	20	FJGD	
O=C(NC[C@@H]1CC[C@H](O)C1)Nc1cccc(S(F)(F)(F)(F)F)c1	189891206	CHZMVDAWEJPKSD-KOLCDFICSA-N	360.348	4.627	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)c1nc2ccccc2n1C	588506742	DASJRXPFCZQHCV-RGEXLXHISA-N	366.424	4.708	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F)c1ccccc1	733204986	GLHSEBZVVKYIHJ-DGGAMASNSA-N	362.326	4.629	50	20	FJGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNc1nccc2sccc12	734248290	OWFWJNNXWUZMSK-ZDUSSCGKSA-N	369.490	4.504	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(F)c(C#N)c3Cl)n2)cc1	761390226	CDQSKKYEBJPAFH-ZSOIEALJSA-N	364.767	4.773	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2Cl)c1C	761391259	HOHDRZJBVITFHG-OQLLNIDSSA-N	367.811	4.745	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	764413277	ZCBDEXXDDBNUFS-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3cccc(-c4ccoc4)c3)c(C)cc2c1	778478880	JSQKPKUFXJUOAR-UHFFFAOYSA-N	373.412	4.569	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1ccsc1)c1ccccc1	787288575	DYVLHSBHIMVPNM-LDADJPATSA-N	360.438	4.594	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cnc(-c2ccccc2)s1	791717170	HTEOGQBWMQOZBZ-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(-c2ccccc2F)on1	791733811	HVURGZNUPIQTPK-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)c1ccc([N+](=O)[O-])c(OC)c1	814190333	QZVIUIHSVJUJMP-LGDLHNLVSA-N	364.401	4.760	50	20	FJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1c(F)cccc1Cl	816163576	VXUZPTBVDWPIPR-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
C[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)c1nnnn1C1CC1	842161922	GQRVXCQMZNKVCG-VIFPVBQESA-N	369.363	4.516	50	20	FJGD	
CC[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(OC)cc1	849187460	SAYJEPVFTDJZSY-DLBZAZTESA-N	353.553	4.977	50	20	FJGD	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(Cl)c1	915292062	DHECCFHMSUYIEB-SECBINFHSA-N	359.640	4.557	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc2ccccc2n1	917145186	URIQQJFRJWHIOK-ZROIWOOFSA-N	351.203	4.767	50	20	FJGD	
Cc1cccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	918559285	MXUGVVQUBFKPLZ-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	920031388	BUPRYOJDDBRHDM-CQSZACIVSA-N	350.384	4.959	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1cc(Cl)cc(Cl)c1	921138414	JQGMRDZCAZOOJM-NVNXTCNLSA-N	368.223	4.969	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(-c2cccs2)s1	1320144545	ZRMCBEUYHLBRKZ-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccc(CCCl)cc1	1324842797	KBONYANLDNVUNN-UHFFFAOYSA-N	358.290	4.539	50	20	FJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3ccoc3C)c2C)c1	7919170	XJFHXYGPWIIXQK-RGVLZGJSSA-N	372.424	4.988	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1SCc1cccs1	54567341	KCUSCTVTUFGDPS-UHFFFAOYSA-N	358.463	4.936	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1csc(C2CC2)n1	63275954	WCNNKJCOIHHCST-SDQBBNPISA-N	373.865	4.537	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)c1nnc2n1CCCCC2	131072973	APRRKYXUGLELCV-QINSGFPZSA-N	364.449	4.936	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1	158768182	JIEFDQWZYKUMAE-UHFFFAOYSA-N	359.454	4.775	50	20	FJGD	
Cc1cccc([C@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)n1	167027481	AKMRBAYYUSTXNU-DOTOQJQBSA-N	350.553	4.768	50	20	FJGD	
O=C(NN=Cc1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl	727781048	BJUOMIABJPAJDP-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
CCC[C@H](NC(=O)NNc1ccccc1)c1cccc(C(F)(F)F)c1	734277102	XWIKBEHLYXGYFD-INIZCTEOSA-N	351.372	4.873	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(N3CCCC3)nc2)cc1	758415978	BGDYIOBLHCTTKD-XMHGGMMESA-N	359.473	4.769	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761175787	GJZZSMAZAGQQNU-ZRDIBKRKSA-N	352.777	4.640	50	20	FJGD	
C[C@H](C=NNC(=O)c1cccc(Br)c1)c1cccc(Cl)c1	763364767	VJVNZRUYMJABPP-LLVKDONJSA-N	365.658	4.622	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-]	770568675	JQZZVEVEDAXPJZ-DHDCSXOGSA-N	363.398	4.791	50	20	FJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(Br)c(F)c1	771689426	NFPJIHZRIGEVBE-UHFFFAOYSA-N	365.246	4.643	50	20	FJGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cn1	773153724	WUPNFMZRHFXPQY-AWNIVKPZSA-N	365.330	4.586	50	20	FJGD	
Cc1ncccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777670307	PWORZFHFTWMMIP-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1C(F)(F)F	794866891	QWAURHLLJNIRMT-XNTDXEJSSA-N	373.378	4.626	50	20	FJGD	
N#Cc1ccc(C(=O)NN=C2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1	799479342	NYPWLDGIVLNYKU-MRXNPFEDSA-N	371.362	4.631	50	20	FJGD	
Cc1c(C(=O)NNc2cccc3cnccc23)sc2cc(F)ccc12	807121620	GNYZVTIVSBUHQI-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
C[C@@](O)(CNCc1cccc(S(F)(F)(F)(F)F)c1)C(F)(F)F	819377290	OKNDCPZGDNOGSG-SNVBAGLBSA-N	359.282	4.747	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCn1nc(-c2ccc(Cl)s2)ccc1=O	845351998	XFCUYLABHHATDZ-UHFFFAOYSA-N	370.978	4.647	50	20	FJGD	
CC(=O)N[C@](C)(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	904286487	NTKRIZUUOWZBSG-AWEZNQCLSA-N	374.375	4.833	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCCOc2ccc(F)cc21	919706156	GDTJAVFZMLZHMG-ZBFHGGJFSA-N	369.527	4.870	50	20	FJGD	
CC(=O)N1CCC(CNCc2cccc(S(F)(F)(F)(F)F)c2)CC1	921698004	KTEUKWSRBFRBMW-UHFFFAOYSA-N	372.403	4.692	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CC[C@H](SC)C2)c1C	1252197003	CBNVQXNYXLWSOH-IYTJAOGTSA-N	373.566	4.555	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnn(C2CCCCC2)c1	1320452277	XPKAXSLRIZJEAJ-UHFFFAOYSA-N	371.243	4.591	50	20	FJGD	
Cc1nc([C@@H](C)NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)no1	1323061918	MMWKOHMHRNUJRB-SSDOTTSWSA-N	372.319	4.918	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c(C)n1[C@H](C)c1ccccc1	114795202	LLVAEUAEVDPJPG-CQSZACIVSA-N	369.415	4.749	50	20	FJGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)C(=O)Nc1ccccc1F	177609917	ASFZDMJHGUEMDC-DHZHZOJOSA-N	355.419	4.556	50	20	FJGD	
C#CCN1CCC(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	186086072	GJLOCRDOFRZLIA-UHFFFAOYSA-N	368.371	4.628	50	20	FJGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	255579319	RZBHZUFMFODMIA-NTEUORMPSA-N	361.788	4.514	50	20	FJGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1	728136907	QDWNLGGFDDHZFY-GOSISDBHSA-N	373.884	4.606	50	20	FJGD	
Cc1cccc2nc([C@H](C#N)C(=O)CCCC[C@@H]3CCSS3)[nH]c12	735791151	UZBBSKMLRDYDMO-ZIAGYGMSSA-N	359.520	4.762	50	20	FJGD	
Cc1cnc(COC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)o1	744552161	KFYPONGEKIWGEH-VCHYOVAHSA-N	367.449	4.557	50	20	FJGD	
COCCN(C(=O)CCCC[C@H]1CCSS1)[C@@H](C)c1ccccc1	745941249	JGOYUCJGYLJXGH-WMZOPIPTSA-N	367.580	4.937	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1OCC	747437537	UEVGXWSPUNBSAK-YBEGLDIGSA-N	352.459	4.741	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccc[nH]3)c2C)cc1	760741531	UZIRTEIUKQNBTN-UOBPLZBXSA-N	372.472	4.515	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2nc3ccc(F)cc3s2)c(C)c1	761390136	BKFLVVFSVPYTNC-JYRVWZFOSA-N	351.406	4.598	50	20	FJGD	
Cc1nc2ccc(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc2s1	762158355	QNZZDCRYWJWRPE-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
O=C(NCC1CCCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762634968	DPWLXUIDUGMFNY-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
COc1cc2ccccc2cc1C(=O)NNc1c(Cl)cccc1Cl	763616287	ZVAWYBYNQSCONY-UHFFFAOYSA-N	361.228	4.912	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccnn1C1CCCC1	769658089	TUOMONMXTXIYJO-UHFFFAOYSA-N	368.506	4.948	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	776725098	CVDFFNYTVDOFGO-FKVCUQLRSA-N	358.182	4.573	50	20	FJGD	
C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983155	PESNRWFOGDFLON-SKDRFNHKSA-N	365.389	4.811	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(NC2CCCCC2)cc1	787275828	OVCXWJMVHIXUNR-VKAVYKQESA-N	361.445	4.682	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cc(Cl)ccc2OCC2CC2)ncn1	797405912	LDPPYNKEPBQMCD-NSIKDUERSA-N	357.866	4.705	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1nc(C2CCC2)cs1	799447160	OXVZSNSAIVZOCP-UHFFFAOYSA-N	356.373	4.578	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(-c4cnn(C)c4)s3)c[nH]c2c1	800791384	NORQLXXOLBZJKQ-RIYZIHGNSA-N	372.453	4.728	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c(-c2cnn(C)c2)c1	801648483	SBJGQNZPSSPQRQ-YBFXNURJSA-N	355.441	4.802	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)c1ccc(O)cc1	807250916	OTQULRNOZPBSHV-UHFFFAOYSA-N	367.295	4.871	50	20	FJGD	
C[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)C2CC2)cc1	808743910	RKQPICZYFRWWGX-OAHLLOKOSA-N	362.590	4.708	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)c(C)n1Cc1ccco1	834748180	QCRCEXKIDXGYBW-PDGQHHTCSA-N	352.434	4.529	50	20	FJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(C(C)C)cc1	837053075	KDOQIVYBMGXMQC-UHFFFAOYSA-N	364.445	4.753	50	20	FJGD	
NC[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCCC1	841191277	XNBYBOGJCMHQFT-CYBMUJFWSA-N	373.391	4.983	50	20	FJGD	
CC(C)c1nnc(CN2CCCC[C@H]2CO[Si](C)(C)C(C)(C)C)o1	844349647	MXIACTIINJFXCO-HNNXBMFYSA-N	353.583	4.569	50	20	FJGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)[C@H]1CCCC(F)(F)C1	862516916	BBLVRPYBXFZKRB-INIZCTEOSA-N	360.404	4.534	50	20	FJGD	
O=C(NN=Cc1ccc(OCC(F)(F)F)cc1)c1ccc2ccccc2c1	921258528	VHFGUXTXOFKZTG-UHFFFAOYSA-N	372.346	4.545	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(F)cc1	5214365	BLBZGHHFLHYOFB-SDNWHVSQSA-N	350.324	4.770	50	20	FJGD	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)s1	7167088	UTEVSPZOSOCXSZ-KPKJPENVSA-N	358.271	4.702	50	20	FJGD	
N#Cc1cccc(NNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1	125651151	YEUDCQBDMQLQJQ-UHFFFAOYSA-N	369.384	4.515	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cn2)sc2cccc(F)c12	131955855	CBNHNBNNJMBFMZ-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(CCC(F)(F)F)cc2)c(C)c1	152881339	GXDQWUKLEWSXFQ-UHFFFAOYSA-N	350.384	4.864	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)c1ccsc1	174184051	MTJYDQKVEXYAQX-YBYKNVHQSA-N	373.861	4.749	50	20	FJGD	
CCc1cccc2c1OCC[C@@H]2NC(=O)CCCC[C@@H]1CCSS1	725758396	IBQNGQWUVUCJAO-WBVHZDCISA-N	365.564	4.903	50	20	FJGD	
CC[C@@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1	732917882	QUVNFLBGPFBEKY-QGZVFWFLSA-N	354.450	4.940	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC)cn2)c1C	734827394	AHQAJPRKOFIDMV-BOPFTXTBSA-N	368.506	4.568	50	20	FJGD	
O=C(Nc1c(F)cc(F)cc1F)NN(Cc1ccccc1)c1ccccc1	743222667	LJNVEPJEBQDPNY-UHFFFAOYSA-N	371.362	4.847	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)cc1	749194932	VRKYQVSTEWLYDP-UHFFFAOYSA-N	351.837	4.831	50	20	FJGD	
CC(C)Nc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cn1	752791851	KMWHSLDGPYUDJZ-UHFFFAOYSA-N	373.671	4.619	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(F)cc3F)c2c1	752796069	FGRDAJNVFWNUDX-UHFFFAOYSA-N	367.399	4.764	50	20	FJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1ncccc1Cl	755805223	XOKZFDNUGZFMQI-UHFFFAOYSA-N	364.685	4.569	50	20	FJGD	
N#C/C(=C\c1nc2c(s1)CCCC2)C(=O)Nc1cccc2ccccc12	776264788	IVDLJDZWNKQBMN-NTCAYCPXSA-N	359.454	4.721	50	20	FJGD	
COCC1=CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	792880230	PQGCVFFFACQXRQ-UHFFFAOYSA-N	361.602	4.987	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cn1	797785909	YKRXWBFXTSCMNN-GHRIWEEISA-N	351.413	4.790	50	20	FJGD	
O=C(CCSc1cccc(Cl)c1)NNc1ccc(OC(F)F)cc1	813495122	NZDPNTODWFIMFU-UHFFFAOYSA-N	372.824	4.567	50	20	FJGD	
COc1cc(NNC(=O)c2sc3ccc(C#N)cc3c2C)ccc1Cl	816524848	TXGOHLCPOSMOBQ-UHFFFAOYSA-N	371.849	4.500	50	20	FJGD	
CNC[C@@H]1CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191525	ZTYWCTJQVLKBCI-NSHDSACASA-N	359.364	4.560	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)cc1	915853770	WCKGGFACFFQVDI-LTGZKZEYSA-N	357.457	4.779	50	20	FJGD	
O=C(NN=Cc1ccccc1OC(F)(F)F)c1ccc2ccccc2c1	917547628	ZIYXQFRCPIEVTF-UHFFFAOYSA-N	358.319	4.502	50	20	FJGD	
COc1ccccc1C1(C(=O)NNc2ccc(Cl)cc2Cl)CCC1	1322853084	MISHECDAWRLRJO-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1	1338071389	HPCCMEIKUQXFQQ-GPMSIDNRSA-N	364.327	4.724	50	20	FJGD	
CCC(CC)(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776708462	TYRYXRBDUTWAKN-UHFFFAOYSA-N	351.563	4.804	50	20	FJGD	
N#C/C(=C\c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1	13135337	GYIQEKWNBQDIMU-XDHOZWIPSA-N	353.830	4.832	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1[N+](=O)[O-]	59270118	MAFCSGXDWDULKQ-AWNIVKPZSA-N	365.776	4.828	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3c(C)nn(C)c3Cl)n2)cc1	194577781	TZPSTTQIAKUMEV-MDWZMJQESA-N	370.865	4.578	50	20	FJGD	
CC(C)(CO)CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297138244	JKXMGDNATRETOU-UHFFFAOYSA-N	362.364	4.874	50	20	FJGD	
CCC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1	728746761	DKADVDQGRREEAI-CQSZACIVSA-N	374.312	4.601	50	20	FJGD	
CC(CSC(C)(C)C)=NNC(=O)c1ccc(OCCC(C)C)cc1	729636096	UTXJAYFRRNQZDA-UHFFFAOYSA-N	350.528	4.749	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1OC	735616705	GGYLBBPWXIXBPE-ZSOIEALJSA-N	367.836	4.996	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cc1	741466796	FGUZXUHVZAWJDP-SILNSSARSA-N	368.436	4.932	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(C#N)cc2)c1C	748685446	QDGMEKXDWJQZNM-KKJJZKEWSA-N	361.445	4.598	50	20	FJGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	749186530	OPWIHJAMBMIBMV-ZIAGYGMSSA-N	357.866	4.505	50	20	FJGD	
CC(C)(C)n1cc(/C=C(\C#N)c2ccncn2)c(-c2ccccc2Cl)n1	758910976	HMKGPRKHHCGUTK-GXDHUFHOSA-N	363.852	4.813	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc(-c3ccoc3)c2)cc1C(F)(F)F	760667448	ZDJFTKADTARFPX-UHFFFAOYSA-N	371.318	4.594	50	20	FJGD	
CC(C)n1cc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cn1	770053247	VPYUHSOQKQDKKS-UHFFFAOYSA-N	362.648	4.573	50	20	FJGD	
CCCCCn1nc(C)cc1NC(=O)NNc1ccccc1C(F)(F)F	770057254	VBKCHLJPLZQUAL-UHFFFAOYSA-N	369.391	4.549	50	20	FJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)Nc1ccccc1C(F)(F)F	779800360	UTOPDAYOMJZYDD-MHWRWJLKSA-N	367.330	4.799	50	20	FJGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1Cl	810250812	LQNXKJUDSMXSTG-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
CCCc1cc(=O)nc(/C(=C/c2ccc(OCCCCl)cc2)CC)[nH]1	811691990	WBNAEMKHOYPOBU-DTQAZKPQSA-N	360.885	4.681	50	20	FJGD	
CCOc1ccc(NNC(=O)C(Cc2ccccc2)Cc2ccccc2)cc1	857512055	FZDOSJHVTLSCSN-UHFFFAOYSA-N	374.484	4.630	50	20	FJGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1ccccc1Cl	916341688	KBCSSZRFNIBEDY-ZDUSSCGKSA-N	365.260	4.528	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(-n2cccn2)c(F)c1	918333022	OIVRHGNETRKNCX-CQSZACIVSA-N	365.499	4.664	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(/C=C/C(=O)O)cc2)cc1	1776807672	KZNBYTRTFMIJKG-RPAITNTNSA-N	374.440	4.673	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)c1	7158445	PIKGAOSINUVXRB-VPCIMLDVSA-N	357.457	4.695	50	20	FJGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)s1	23042646	DWDDSNOFBNKLOU-PKNBQFBNSA-N	362.248	4.648	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	114114500	WHINUHBHTNXHAY-VIFPVBQESA-N	374.699	4.537	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(Cl)cc(C(F)(F)F)c1	132730585	MQCALJDXNNNGEZ-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
COc1sc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1Br	160228158	OVTMJDBXHPCKNW-UITAMQMPSA-N	368.277	4.679	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	175318793	NCBFYUSFXWXZOA-RUDMXATFSA-N	369.154	4.523	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C1CC1	181124711	BLXROBKUMJLYCB-CQSZACIVSA-N	354.498	4.786	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)C(=O)c1cc(F)cc(F)c1	588597710	VUTYIAXAVAEHJW-XGICHPGQSA-N	358.394	4.940	50	20	FJGD	
Cc1cccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C	731156457	FRGBOYXLCVNTBV-OVCLIPMQSA-N	366.269	4.949	50	20	FJGD	
N#C/C(=C/c1ccccc1-c1ccccc1)C(=O)N(CC(F)(F)F)C1CC1	732714849	GKBNJWAXBAIVKZ-ATVHPVEESA-N	370.374	4.814	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1	732926390	OIWYPRFSLBMYRD-NTUHNPAUSA-N	363.747	4.740	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2cccnc2)c1C	733415849	OOJFLTKXSPMWIP-BRLDDBHUSA-N	351.450	4.511	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2csc(-c3ccccc3C)n2)c(C)c1	743762194	YUKSAHWIRRANDB-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
O=C(NN=Cc1cc[nH]c1)c1cc(-c2ccccc2Cl)nc2ccccc12	745192900	VXEIDCXGDXMYIY-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
Cc1ccccc1Sc1ccc(C(=O)NNc2cccc(C#N)c2)cc1	748046317	LOAFAZDVSKNXIQ-UHFFFAOYSA-N	359.454	4.775	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc2c(s1)-c1ccccc1OC2	748763661	DTYCXFJBOFZCFZ-UHFFFAOYSA-N	373.437	4.613	50	20	FJGD	
Cc1oc(-c2ccco2)nc1CC(=O)NN(c1ccccc1)c1ccccc1	749463742	JOKMXFKZHZBJAH-UHFFFAOYSA-N	373.412	4.655	50	20	FJGD	
C[C@@H](C(=O)NNc1ncccc1C(F)(F)F)c1ccc2ccccc2c1	753340381	PAVSZRMBMWOEJS-GFCCVEGCSA-N	359.351	4.500	50	20	FJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccc(OC(F)(F)F)cc1	756013637	ZNVLXSHZVWZVPQ-KHPPLWFESA-N	370.758	4.785	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2c(C)cccc2F)c1	771692807	LZUDWGDONKMMEI-UHFFFAOYSA-N	364.420	4.957	50	20	FJGD	
C=CCC[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	772624568	KVFNTYAFSUKDBF-KRWDZBQOSA-N	361.392	4.622	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cc(C(F)(F)F)ccc2Cl)ncn1	773170853	DZVJNUOKAPSFBJ-WMZJFQQLSA-N	355.772	4.935	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c2ccccn12	773173502	XCMSESDQCJZYBS-NTEUORMPSA-N	351.356	4.526	50	20	FJGD	
C[C@@H]1C[C@@H](Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCN1C	777621140	GOKHGFYRPHYCJU-SUNKGSAMSA-N	352.853	4.801	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cn1	790100695	HDGGLCDLVURUCC-UYRXBGFRSA-N	370.456	4.625	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)c1ccc2ncccc2c1	794885801	WGANGYZTMNZFDR-LFIBNONCSA-N	350.324	4.626	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2c(Br)sc(C)c2C)c(C)c1	799705903	QGWGEAZIVDZEHK-UHFFFAOYSA-N	367.312	4.810	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(Cl)cc1Cl	807119666	VRIALWBNYCYHSE-LBPRGKRZSA-N	374.271	4.864	50	20	FJGD	
ClCCCOc1ccc(CNc2ccc(Cn3cccn3)cc2)cc1	811469367	CHPOOLUDGDWDOQ-UHFFFAOYSA-N	355.869	4.551	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cn1	812244497	CNEGSBNWYMJJSG-LCYFTJDESA-N	351.362	4.922	50	20	FJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)[C@H]1OCCc2sccc21	814177689	MBXUIRWERRMSGA-AUUYWEPGSA-N	365.926	4.548	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1Cl	836780819	BDUKFNHGBQOWOO-UHFFFAOYSA-N	361.829	4.611	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2cccc3ccccc23)cc1	914477841	CGWMKLJSCDAXPQ-RCCKNPSSSA-N	370.452	4.804	50	20	FJGD	
CC(C)[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)c1nncn1C	922122792	PGMZHYLLOFODQO-ZDUSSCGKSA-N	370.391	4.959	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(COC(C)C)c2)cc1	64323258	FZBGPFOZHHPMFF-UNOMPAQXSA-N	364.445	4.556	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccncc3Cl)c2c1	154833359	AKRQNTLTMWYRBP-UHFFFAOYSA-N	366.852	4.534	50	20	FJGD	
COCc1ccc([C@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)o1	161562427	FVYPCDFUQRIWTQ-JKSUJKDBSA-N	369.552	4.804	50	20	FJGD	
C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181639501	YZXRLVMJTJNASU-VIFPVBQESA-N	365.389	4.763	50	20	FJGD	
CC1(C)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@H]1O	276007315	ILSVNNNNPSEJJP-GFCCVEGCSA-N	374.375	4.969	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(/C#N)C(=O)c1ccc(Cl)s1	588424630	YJBJWOKNAHUSTM-TWGQIWQCSA-N	354.262	4.702	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Br)c(Cl)s1	588577787	PVZGCHWMGLZYOG-XBXARRHUSA-N	356.628	4.855	50	20	FJGD	
O=C(NN=Cc1cnc(-c2ccccc2)s1)c1ccc2ccccc2c1	727255515	PWQZQVIRCHROHN-UHFFFAOYSA-N	357.438	4.727	50	20	FJGD	
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)NNc1ccccc1	732265560	PYOMHQHHLUIWJR-UHFFFAOYSA-N	366.848	4.605	50	20	FJGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccc(COc2ccccc2)o1	737423138	PYHPQLNTBONGDI-INIZCTEOSA-N	352.434	4.545	50	20	FJGD	
Cc1csc([C@@H](NC(=O)CCCC[C@H]2CCSS2)C2CC2)n1	742091680	YEQKSWXFIRYZDG-ZFWWWQNUSA-N	356.582	4.733	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1)c1ccccc1	747691995	YPBJPGHYGBGJBS-SZHLLGMXSA-N	353.425	4.533	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1ccccc1Br)=C\c1ccccc1	750912647	HCUZABIARSTGBM-YUTYINLDSA-N	367.246	4.941	50	20	FJGD	
CCOc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1OCC	752813155	QRYYCMOJOLXCIR-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
O=C(C[C@@H]1CCCCO1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	755150945	TYUKQFQFBBJITL-IINYFYTJSA-N	367.820	4.804	50	20	FJGD	
C[C@@H](Sc1nc2ccccc2s1)C(=O)NNc1ccccc1Cl	763090972	GFCMIABLNPSFSX-SNVBAGLBSA-N	363.895	4.574	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1Br)C(=O)c1cc(F)cc(F)c1	772175993	JVZBRIXKHNDSSZ-QDEBKDIKSA-N	366.136	4.656	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1ccc2ccccc2n1	777463143	DFKUGUUDOMVPLP-UHFFFAOYSA-N	367.408	4.820	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1CCC(F)(F)F	777482794	RSZGFBBLUOFPNA-UHFFFAOYSA-N	373.378	4.795	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(C(F)(F)F)ccc1F	791739305	LPAHXLWMCFOOOP-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c(Cl)cncc1Cl	815904182	WZSBOZKYJDGWTG-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)s1)c1ccccc1F	873879138	NSDJYDAZMUFQMQ-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Cl)nc1	915973103	DWMYPCTYBBCESV-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
O=C(NCc1ccc(Cl)s1)NNc1ccc(Cl)cc1Cl	916593978	FRPMRGYFZAUZQJ-UHFFFAOYSA-N	350.658	4.535	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)C(=O)NCc1ccccc1	917516225	PNRMTISCUQCQCA-WOJGMQOQSA-N	362.429	4.778	50	20	FJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)c1nc(N)c2ccccc2n1	1318578312	SUVUENYUVXCSNI-ZRDIBKRKSA-N	374.350	4.814	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)c1	159275996	SODDKZDPBOGSSI-UHFFFAOYSA-N	369.465	4.716	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	178940530	QGNZMPYNFSMEFO-UHFFFAOYSA-N	362.241	4.837	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1nc(C(F)(F)F)cs1	179151776	CJDZMNJUIVSVNK-VIFPVBQESA-N	371.471	4.919	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)Nc1ccccc1Br	588600679	DGJFVQLINBPWMW-UITAMQMPSA-N	367.655	4.710	50	20	FJGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CC(C)(C)C	728428652	FXTUEZFKIOENDT-UHFFFAOYSA-N	360.889	4.535	50	20	FJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cc(F)ccc1Br	728436224	MLQBKISOVYOHCY-LLVKDONJSA-N	355.251	4.664	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCCC(C)(C)C)c1C	729389130	WVHLKCWFRGHFJC-IZQLPPHKSA-N	373.541	4.552	50	20	FJGD	
Cc1ccccc1[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)C(C)C	732705224	UUNGPDXLAWYIHC-QGZVFWFLSA-N	363.408	4.620	50	20	FJGD	
N#C/C(=C\c1ccc(CSC(F)F)o1)c1nc(-c2ccccc2)no1	733782328	QYAVPTAQIFINRF-XYOKQWHBSA-N	359.357	4.850	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2c(Cl)cccc2s1	734551497	ANXJWOXSBCBDAY-UHFFFAOYSA-N	356.756	4.729	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC(C)(C)CC3)s2)cc1	735972658	MVVBNIONKGJLCU-UHFFFAOYSA-N	371.506	4.692	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	737787331	JOPRCDHXZBFNKG-LLVKDONJSA-N	356.775	4.996	50	20	FJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2cccc(F)c2)cc1C	748098791	AYHGVWIFLVRCAE-UHFFFAOYSA-N	367.449	4.746	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	750802249	WOPGFCXOLGINCR-GQLSTRLCSA-N	370.855	4.789	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2Br)s1	767713193	JHUSYFDYWPDTSZ-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
COc1ccc(NC(=O)NNc2c(C)cccc2F)cc1OC1CCCC1	771103859	OANMDVRYVCTVOI-UHFFFAOYSA-N	373.428	4.613	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(Cl)c(C)c1	779704490	PYVRPGCQSYVGBN-DHDCSXOGSA-N	370.836	4.560	50	20	FJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)Nc1ccc(F)c(Cl)c1	779751302	HUAPERKCHWFZEU-OVCLIPMQSA-N	351.768	4.573	50	20	FJGD	
C[C@H](c1ccc2ccccc2c1)N(C1CC1)S(=O)(=O)CCCCCl	780727018	RWZJSUBPBUUALQ-OAHLLOKOSA-N	365.926	4.714	50	20	FJGD	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)CCCCCl	780798282	NAGDDWDHVWRPMD-MRXNPFEDSA-N	365.926	4.695	50	20	FJGD	
C=C(CBr)CN[C@@H](C)c1ccc(-c2csc(C)n2)cc1	791491176	XNWLNQZKSLKDDF-LBPRGKRZSA-N	351.313	4.720	50	20	FJGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)sc2ccc(C#N)cc12	794430173	KLMJRJAQDZHAQJ-UHFFFAOYSA-N	359.813	4.631	50	20	FJGD	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1OC	794952664	HPDAQYGCKSJBKF-DYGKOUCMSA-N	371.477	4.557	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	798345320	SGSTVIUNFATWIY-SDQBBNPISA-N	363.248	4.625	50	20	FJGD	
COc1cc(NNC(=O)Nc2csc(-c3ccccc3)n2)ccc1Cl	806733647	VQIOJNSOFBBLKV-UHFFFAOYSA-N	374.853	4.621	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1	817889809	MOAQOTVEGFXDHI-HOTGVXAUSA-N	365.260	4.639	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC2(CCC2)[C@@H]1C1CCOCC1	819755576	AXAUNXNYKCHYKP-WMZOPIPTSA-N	369.596	4.508	50	20	FJGD	
O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(Cl)nc1	915973238	IAIHTZPDCPEJNW-UHFFFAOYSA-N	359.816	4.805	50	20	FJGD	
CCc1cccc(OCC(=O)Nc2c(CC)cc(SC#N)cc2CC)c1	916600315	POXCULUVQYTXGN-UHFFFAOYSA-N	368.502	4.964	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O[C@H](C)CC)cc2)cc1	919869649	ARLTYAHRHOVSSH-WDMNMGCXSA-N	364.445	4.808	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2F)c1C	921291017	GTYBQWMASZGKEK-LFIBNONCSA-N	357.404	4.729	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)cc1)C(=O)Nc1ccccc1	1776118492	QBJNGSLLBPDRGE-NBVRZTHBSA-N	368.392	4.597	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1	5860267	HYUBURGBMPOSOF-LCYFTJDESA-N	360.207	4.568	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c1C	7655523	RBKNZVSTHDJDHN-MHWRWJLKSA-N	371.868	4.723	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC(F)F	105121045	BXDVRXOJPXNGGZ-LCYFTJDESA-N	361.319	4.616	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1	132537190	HJGJKLBWWHSRFP-UHFFFAOYSA-N	356.278	4.646	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1cccnc1	303472616	RARBSYTYSCCZKA-ATVHPVEESA-N	373.387	4.867	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cn1	588580905	ULIDPMRPPVANFH-GDNBJRDFSA-N	367.403	4.735	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(F)cc2)c1Cl	726117576	AJTHPKQCMNKWQR-YBEGLDIGSA-N	373.859	4.945	50	20	FJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1ccc(F)cc1F	729280320	AONVGNJBKXPCJD-UHFFFAOYSA-N	359.203	4.738	50	20	FJGD	
CC[C@H](CC(=O)NNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1	738556582	YDARWJSQDMPKOF-QGZVFWFLSA-N	369.534	4.513	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)c1C	742909629	LOEYCQARROQJOU-NUMRFLCSSA-N	373.566	4.555	50	20	FJGD	
COc1ccccc1[C@H](C)CC(=O)NNc1ccc(Cl)cc1Cl	748008213	HGEHFFFFNLAWQO-LLVKDONJSA-N	353.249	4.639	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc2[nH]c3c(c2c1)CCCCC3	748769920	RZTBUCZHPFYFAW-UHFFFAOYSA-N	370.456	4.742	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)ccc1OC	749454221	ZHNLGLYVHHKGJM-LZNAANCOSA-N	365.429	4.671	50	20	FJGD	
CC[C@H](C)OCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	752784740	BWJHVDWDPGPMJU-ZANVPECISA-N	355.809	4.660	50	20	FJGD	
Cc1ccc([C@@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)s1	754658980	BOHMBUISRDMWMN-GOSISDBHSA-N	369.470	4.721	50	20	FJGD	
O=C(NNC(=O)c1cc(Cl)cs1)Nc1ccc(-c2ccccc2)cc1	757968810	RHLYVSYJEVZQLC-UHFFFAOYSA-N	371.849	4.535	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3Cl)c2)cc1	764890898	FUTODDXTKZBXRZ-GRSHGNNSSA-N	361.832	4.683	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2Br)c(C)c1	767718728	XYSNHOIWROOVTD-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1	776192540	KXILBUVAWGYGAI-RVDMUPIBSA-N	357.356	4.865	50	20	FJGD	
CC[C@H]1CCc2c(sc3nc(CSCCCCl)nc(O)c23)C1	782890153	DLXGRDDLYISWIF-JTQLQIEISA-N	356.944	4.774	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1Cl	783682627	CFDNIRRFROUCJS-JYRVWZFOSA-N	365.776	4.828	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H]1OCCc2sccc21	795150805	FJODPEKCEITFOP-GDZNZVCISA-N	371.593	4.581	50	20	FJGD	
CC(C)n1cc2c(n1)[C@@H](NCc1ccc(OCCCCl)cc1)CCC2	811490912	VXSPPYUEQIOHCH-IBGZPJMESA-N	361.917	4.639	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2coc(C(C)C)n2)c(C)n1CC(C)C	841259078	MVBSICQQBIHKJR-LSCVHKIXSA-N	369.465	4.523	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Cn2ccn3ncc(C#N)c23)cc1	853699359	BVKSRHNCOUDBOU-UHFFFAOYSA-N	366.541	4.578	50	20	FJGD	
CC[C@@H](NC[C@@H](CBr)C1CC1)c1nc(C(F)(F)F)cs1	859247990	HIICEIFKTNYCBF-NXEZZACHSA-N	371.266	4.624	50	20	FJGD	
CN(CCCOc1ccc(F)cc1)C(=O)CCCC[C@@H]1CCSS1	915097961	NGOKYIMABDUTGC-QGZVFWFLSA-N	371.543	4.767	50	20	FJGD	
CCn1cc(C=NNC(=O)Cc2ccc3ccccc3c2)c2ccccc21	915972822	WAMXFUZOIAOEIJ-UHFFFAOYSA-N	355.441	4.507	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1323328143	OPFXQLZTRXHGAG-UHFFFAOYSA-N	371.721	4.736	50	20	FJGD	
Cc1ccc(-n2c(C)c(Br)c3c2CCC(C=O)=C3Cl)cc1	3885104	BGVQOLIYNSOCJA-UHFFFAOYSA-N	364.670	4.952	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OC(F)F	7157432	HRDGOPBLCCNTHU-RVDMUPIBSA-N	372.371	4.541	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1OCc1ccccc1	7714364	NAAJMIIAACCRIK-XDHOZWIPSA-N	373.408	4.966	50	20	FJGD	
CN(Cc1cnn(C)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184412847	BAAYIZHGFGCSJG-UHFFFAOYSA-N	370.347	4.741	50	20	FJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1	731488375	FGKGGYWZDFDELL-XLFIVMGGSA-N	368.811	4.543	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)c1C	742349381	FDGFBCIELOICRM-MHWRWJLKSA-N	354.837	4.743	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1	746893007	BJRGXDXROFFCTC-UHFFFAOYSA-N	361.367	4.631	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3cc(C(F)(F)F)ccc3F)oc12	754154067	TZCQHHXVKKUXLG-UHFFFAOYSA-N	352.287	4.656	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)c3cccnc23)c1C	759116815	STDPVRLPTYOWQL-SFQUDFHCSA-N	361.420	4.992	50	20	FJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)c1cccc2c1OCCO2	761387898	ZKBQYXKYYJHLRA-TWGQIWQCSA-N	366.225	4.616	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn2cccnc12	762518154	LMWLXAODVWDGOS-UHFFFAOYSA-N	364.299	4.639	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccccc1SC(F)F	769932579	XRZPRSDVIKZNEL-UHFFFAOYSA-N	363.311	4.567	50	20	FJGD	
N#CC1=CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1	780687699	IGWNRWMOPNAILY-UHFFFAOYSA-N	371.362	4.745	50	20	FJGD	
C=CCN(C(C)C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782982650	KPYXNFMQPOBLEN-UHFFFAOYSA-N	365.389	4.929	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	787325221	KFFNKTGWODRLCR-KEWOFRHOSA-N	366.848	4.610	50	20	FJGD	
Cc1cc(C)c(NC(=O)CN(C)CCO[Si](C)(C)C(C)(C)C)c(C)c1	788012838	NQUDYMDFYGLPEH-UHFFFAOYSA-N	364.606	4.504	50	20	FJGD	
CSSCCNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	791150158	HUCSVWSDMIHCPO-UHFFFAOYSA-N	369.861	4.518	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2CC)c1C	791153954	VUGMBQIWFJKHDJ-XDHOZWIPSA-N	365.477	4.719	50	20	FJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)c1ccc2ncccc2c1	794884762	RYHHMNYKGYBWOF-NTEUORMPSA-N	359.385	4.773	50	20	FJGD	
O=C(NNc1ncccc1F)c1cc(Cl)ccc1Sc1ccccc1	804219834	IEJLMSLRRFKLQD-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
CN(C)C(=O)CSCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	830074091	FKKAUWJMYXHCCQ-UHFFFAOYSA-N	353.604	4.530	50	20	FJGD	
CC[C@@H](C)n1nc(NC(=O)NNc2cccc(Cl)c2Cl)cc1C	839011895	NNPUAFFYOWGUIL-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
O=C(O)C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	841840481	ZMOLOPXHQJWXBA-UHFFFAOYSA-N	374.331	4.673	50	20	FJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	857489343	XIPVGRNZTVIVIB-ZDUSSCGKSA-N	365.399	4.861	50	20	FJGD	
CCOc1ccc(-c2nc(C(=O)NNc3cc(C)cc(C)c3)cs2)cc1	914834711	AQGUAHQTYGRQEN-UHFFFAOYSA-N	367.474	4.583	50	20	FJGD	
CCC(=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C	915905276	FHTQQFMGXLLYPS-UHFFFAOYSA-N	360.461	4.691	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Cn2cccc2)cc1	1116344072	PJATXKBVCSFXES-UHFFFAOYSA-N	360.244	4.600	50	20	FJGD	
CCn1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc2ccccc21	1319452908	AXIDGPNKOPKFLX-UHFFFAOYSA-N	365.330	4.576	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C	44024412	KXOIPRHGIFSEBY-XNTDXEJSSA-N	361.470	4.957	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(=O)c1ccc(F)cc1	53625223	YSBVZPHMHJUJQG-NTEUORMPSA-N	352.365	4.878	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)c1cccc(Cl)c1Cl	117731172	CVNLYYSSJCSPJY-VIFPVBQESA-N	374.699	4.537	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccnc(SC)c1	175638410	YFGUFOUNINNORD-UHFFFAOYSA-N	357.504	4.754	50	20	FJGD	
CCN(C[C@@H](C)C#N)C(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186152416	WSYYCUQOYZWKQR-NSHDSACASA-N	371.375	4.764	50	20	FJGD	
Cc1c(C[S@@](C)=O)cccc1NC(=O)CCCC[C@@H]1CCSS1	265310143	DYNPUNLHWHZADA-IQMFZBJNSA-N	371.593	4.526	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3nccn3CC(F)(F)F)n2)cc1	728699214	CRHIREPTDCQYQB-ZSOIEALJSA-N	374.391	4.942	50	20	FJGD	
C=C(Cl)CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	736955342	GCIKEBNSVFHFLB-JTQLQIEISA-N	359.200	4.780	50	20	FJGD	
CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1ccc(C#N)cc1	748248735	KPPQLJRQHAWYCC-UHFFFAOYSA-N	353.853	4.586	50	20	FJGD	
CSCc1c(C(=O)NNc2cccc3cnccc23)oc2ccccc12	748764014	RMCWTAWLUSHSCU-UHFFFAOYSA-N	363.442	4.601	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	749454158	ZBHKMEVIGMAXCK-FMNVXAMXSA-N	352.390	4.845	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc(F)c(Cl)c1	761384913	JNNZYKKXRCRJTH-WZUFQYTHSA-N	363.150	4.933	50	20	FJGD	
Cc1[nH]nc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1[N+](=O)[O-]	762759445	SASPNEFMFUDTNR-UHFFFAOYSA-N	372.275	4.536	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	779209802	SUWLXLVUUVROEW-UHFFFAOYSA-N	370.396	4.843	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(F)c1)c1ccccc1	787145337	PUWLHDUFVNRDAB-XBNGYDHASA-N	374.362	4.602	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1cc2ccccc2s1	788326856	HSSSWOSMKUHQMH-NTUHNPAUSA-N	352.346	4.738	50	20	FJGD	
COc1cc(NNC(=O)c2cc(F)c(Cl)cc2Cl)ccc1Cl	790179671	AFKOJUJMGYVJDT-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(F)c(Cl)c1	794875361	QQHHCIAKRMKATI-LCYFTJDESA-N	369.758	4.594	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1	794885437	RQJYVGBSCKYEGM-ZHZULCJRSA-N	355.441	4.871	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1)C(=O)c1ccc2ncccc2c1	794885674	VGJLNUSQOQIPFG-MHWRWJLKSA-N	363.214	4.787	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCc2nn[nH]c21	832213525	SXYZBYWACPXRGX-SNVBAGLBSA-N	368.331	4.521	50	20	FJGD	
Cc1csc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	912697189	JGTIDLFOLWQSOK-YVLHZVERSA-N	368.506	4.921	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c(C(C)C)nn(C)c2Cl)cc1	915984491	HXYYVYHCTNETQR-WJDWOHSUSA-N	355.869	4.939	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c[nH]nc2-c2cccc(OC)c2)cc1	918712888	OMFMKIWBLWLHPZ-UNOMPAQXSA-N	371.440	4.828	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3cc4ccccc4o3)o2)cc1	1261427931	RFYXRQCQOHTQMB-LFIBNONCSA-N	357.369	4.946	50	20	FJGD	
O=C(NN=C1CCCCC[C@H]1c1ccccc1)Nc1ccc(C(=O)O)cc1	1776046282	IWPIOVLJYVRHOT-SFHVURJKSA-N	365.433	4.610	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OCC)cc1	6411016	JMSPWPPRBDLBIC-OBGWFSINSA-N	364.445	4.810	50	20	FJGD	
N#C/C(=C/c1sccc1Br)C(=O)c1cc(F)cc(F)c1	194536021	GGMQMTUJTKLJLK-UITAMQMPSA-N	354.175	4.579	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1OC(F)F	212683917	HDDYIQWXTFTHDV-RAXLEYEMSA-N	361.319	4.616	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2nc3ccccc3s2)c(C)c1	734220631	DDBQXVAHNBNSEZ-CQSZACIVSA-N	354.479	4.609	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1ccsc1	734272844	UUTHBCNKXCXVDX-QGZVFWFLSA-N	357.866	4.817	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NNc2cccc(F)c2)cc1OC	748087085	FDXCRCBOGSYVBJ-UHFFFAOYSA-N	360.429	4.550	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(Cl)cc3)o2)c(C)c1	749273160	DJDRZCAOACDVSE-UHFFFAOYSA-N	370.836	4.886	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1c(Cl)cccc1Cl	759074027	ROMDNYLBSZGURH-QPJJXVBHSA-N	358.637	4.649	50	20	FJGD	
COC[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762978271	LTQIYWVVDSUYOC-SNVBAGLBSA-N	360.348	4.844	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1nccc2sccc12	764463689	VVYNTMVXIXNFMI-UHFFFAOYSA-N	363.895	4.819	50	20	FJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNc3ccccc3Cl)c2)n1	770068062	SQMHNMZYFKHNIU-UHFFFAOYSA-N	356.813	4.760	50	20	FJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1OC(F)F	777869889	QDYNPJVEUREUNX-ZROIWOOFSA-N	352.340	4.868	50	20	FJGD	
CCO/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1NCC1CCCCC1	782782993	JBZMEBOKXQZZET-FYWRMAATSA-N	361.873	4.715	50	20	FJGD	
C=CCN(CC=C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973451	GNTLTWPGUKKCQQ-UHFFFAOYSA-N	363.373	4.707	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)c1c(Cl)cccc1Cl	788715439	XHYNSLWOPTYQQF-UHFFFAOYSA-N	355.652	4.973	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)C(=O)c1cccc(F)c1	789147295	HEPAFRVBNDREQY-CXUHLZMHSA-N	365.795	4.514	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1c[nH]cc1-c1ccc(F)cc1	791734135	ISWLUTRRWBLZAO-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC)cc1OCc1cccnc1	794952752	IQGYMLZZTFNHPR-WQRHYEAKSA-N	364.445	4.581	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(N(C)c3ccccc3)nc2)c1	797787457	QCYNIOMNLCMHGC-CPNJWEJPSA-N	369.424	4.648	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3c(C)cccc3C(C)C)c(C)nc2c1	812765886	YYJWTCFYNMXJIW-UHFFFAOYSA-N	363.461	4.741	50	20	FJGD	
CC(C)(C)N1CC[C@H](NCc2cccc(S(F)(F)(F)(F)F)c2)C1=O	818114706	XLKMLWBBVIOPTE-ZDUSSCGKSA-N	372.403	4.833	50	20	FJGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)c1ccc2c(c1)OCO2	917517320	CRDFBHDCBMLEMH-PXNMLYILSA-N	359.406	4.934	50	20	FJGD	
CCCn1cccc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	918184219	HXCKYELBEAUHGI-QBFSEMIESA-N	361.417	4.758	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)sc1C	1116120116	REPYHXAADKMDKQ-OQLLNIDSSA-N	350.399	4.782	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1O	63279065	FIIMNAHQVDSCBI-RQZCQDPDSA-N	373.437	4.850	50	20	FJGD	
COC(=O)c1ccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc1	125219700	ZWIPDYVJAIUAEN-WUXMJOGZSA-N	366.726	4.605	50	20	FJGD	
COc1cc(C(=O)NNc2ccc(Cl)cc2Cl)ccc1OC(C)C	151963270	HKGBQTCXXALGPF-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
O=C(NNc1ccccc1F)/C(=C/c1ccc(F)cc1)c1cccs1	152811174	WTZMPAKWECYUSJ-NTCAYCPXSA-N	356.397	4.710	50	20	FJGD	
CN(C1CCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181703207	JCUXMZSBLJVOBE-UHFFFAOYSA-N	351.362	4.517	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccoc2C)cc(C)c1OCc1ccccn1	207256916	HFBUSYYFYIQHEE-UNOMPAQXSA-N	372.424	4.969	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](c1ccccc1)[C@H]1CCCO1	726537036	DPTVKUJMMHUUOR-LMMKCTJWSA-N	365.564	4.737	50	20	FJGD	
CC(C)(CNC(=O)CCCC[C@H]1CCSS1)c1cccc(F)c1	735658987	RCBUMLAJBHEGQP-INIZCTEOSA-N	355.544	4.934	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc2c(Cl)c(Cl)ccc2[nH]1	749270945	GHNANEWIIHWTFM-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1)c1ccc2ccccc2c1	753327068	HMYZOTMXMCOTIE-CYBMUJFWSA-N	369.262	4.849	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCCCC3(C)C)s2)cc1	757565464	OXSUZESKNWRHIT-UHFFFAOYSA-N	371.506	4.692	50	20	FJGD	
Cc1c(C(=O)NNc2c(Cl)cccc2Cl)oc2ccc(F)cc12	763617841	UDZTUBKWKXIXFB-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Br)cc3c2OCC3)s1	764884580	FUVPJXDWBXGOSW-AWNIVKPZSA-N	374.259	4.544	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	768269291	QQZPGQFPIAJLSK-IZZDOVSWSA-N	372.209	4.963	50	20	FJGD	
C=CCC[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1	779102410	XTTBVLVWJUGPMC-CQSZACIVSA-N	350.249	4.582	50	20	FJGD	
Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(OCCCCl)cc1	811468438	RAOQKKZPJJHGHP-UHFFFAOYSA-N	372.896	4.963	50	20	FJGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)Nc1ccccc1Cl	811626836	NWTYFRPFXDYVGQ-UITAMQMPSA-N	356.756	4.966	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Cn2c(=O)oc3cccnc32)cc1	853675054	OANOMIUVVMOJGY-UHFFFAOYSA-N	370.525	4.560	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(Cl)ccc2SC2CCCC2)n1	862521354	KYLZUPCKQJLVKH-UHFFFAOYSA-N	361.898	4.835	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)Cc2ccc(Cl)s2)cc1	902865195	HOURRBWGWZKFDP-RVDMUPIBSA-N	374.893	4.756	50	20	FJGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CCSc2ccc(Cl)cc21	916224621	NWUNLZSTYJQEFE-CYBMUJFWSA-N	368.289	4.857	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccn(Cc2ccccc2)n1	918125074	KJHPCPKRXGWKAW-MRXNPFEDSA-N	361.536	4.584	50	20	FJGD	
COCCOc1ccc(NC(=O)CCCC[C@H]2CCSS2)c(C)c1	918332850	XMJMYXRPJPFRKW-INIZCTEOSA-N	369.552	4.673	50	20	FJGD	
CC(=O)Nc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1Cl	25442441	KGGMQUYMEQVBNN-ZDUSSCGKSA-N	372.943	4.951	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	176902554	SANZCTLLTBVHJF-UKTHLTGXSA-N	362.763	4.796	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)Nc1c(Cl)cccc1Cl	211581542	FBISOIYQCCOKGS-POHAHGRESA-N	353.155	4.817	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)c1ccc(Cl)cc1F	255050869	QSNPFXPSGZJAEG-WDZFZDKYSA-N	351.711	4.870	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1)c1ccccc1	255386992	WUGGBKPFTNJZTK-RQNDZEIBSA-N	351.475	4.585	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)ccc1OC	255845578	KSSCWXCBFQUHRX-UVTDQMKNSA-N	369.371	4.903	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1Cl	727975631	GJMDFLAWCKBJNG-XYOKQWHBSA-N	366.726	4.784	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2c(Cl)c(Cl)ccc2[nH]1	746699746	MKDSEQNCSTYTHZ-UHFFFAOYSA-N	374.149	4.649	50	20	FJGD	
CCCc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)sc1C	746894329	URVCVWSJLJEFJC-UHFFFAOYSA-N	367.396	4.656	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	748008088	NVOBRRSANMVVJP-UHFFFAOYSA-N	366.292	4.592	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(SCc2ccccc2)cc1	748090463	WHJAISGSXSPOBT-UHFFFAOYSA-N	352.434	4.875	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC	749453719	VBEKJSIPNBHJNF-LUYJPIOASA-N	353.393	4.801	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1oc2ccccc2c1C	753175305	JTBQXOOYGXEFQJ-UHFFFAOYSA-N	373.250	4.823	50	20	FJGD	
CC(C)Oc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	769965993	KWJZNGGTCOESEF-UHFFFAOYSA-N	369.343	4.521	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1OCC(C)C	772179916	SWTTUJBEHJAIET-SOFYXZRVSA-N	371.383	4.798	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CC2(CCC2)C1	772838773	NIIASRDKROBNBP-UHFFFAOYSA-N	359.882	4.701	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	782522702	FNAIFXMTKRMRCH-SZVPOVDMSA-N	358.363	4.643	50	20	FJGD	
CN(C1CCCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981136	ZOXWELORCGZQJO-UHFFFAOYSA-N	365.389	4.907	50	20	FJGD	
Cc1occc1-c1cc(NC(=O)NNc2c(Cl)cccc2Cl)no1	786218272	OKANIDINIGNXMM-UHFFFAOYSA-N	367.192	4.698	50	20	FJGD	
C[C@@H](C=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1	788977821	NBWHUQXLAPGGLZ-ZDUSSCGKSA-N	373.378	4.635	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(C(F)(F)F)nc1	792343450	BEIVRYRSAKTPMJ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccc(Cl)cc2Cl)c1C	792475749	JNLROAPQWHYNKM-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
O=C(NN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2)c1cccc2cccnc12	807968021	MQIHPULYSXHZSU-BGYRXZFFSA-N	369.468	4.536	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1cc(-c2ccccc2)nc2ccccc12	817009531	OSWNMYJJISZRTF-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
CC1(C)CC(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	850717073	KXDJTTNVMUPBAC-UHFFFAOYSA-N	372.359	4.587	50	20	FJGD	
C#CCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1	920063920	LLMSDOZDTPACKU-RGEXLXHISA-N	355.397	4.511	50	20	FJGD	
Cc1ccc2nc(-c3cccs3)cc(C(=O)N3CC=C(C#N)CC3)c2c1	1295164181	HYDYUOAHDDCYCI-UHFFFAOYSA-N	359.454	4.568	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	16408474	PSIMZWZWWBSKKH-IZZDOVSWSA-N	352.262	4.529	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(C)n(Cc2ccco2)c1C	55040880	UYXGBHFRBNCIAR-YVLHZVERSA-N	350.443	4.906	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1	63279033	IZWHDVZDGGMKIN-RQZCQDPDSA-N	373.437	4.763	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)c1nc(-c2ccccc2)cs1	123430967	ZFPQLWNMVLSKRC-PDGQHHTCSA-N	358.470	4.869	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1sccc1-c1ccccc1	155828407	XVIAUTUCALMJLC-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
CC(C)(C)C(=O)NCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180334796	UFLFWTAEPLRQDK-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc(OC)c1OC	730149855	ZRNYCQHDZZHXEH-SDQBBNPISA-N	370.405	4.525	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCc2ccc(-c3ccccc3F)o2)c1	733168402	GDZUTWGUPPUDNQ-UHFFFAOYSA-N	352.409	4.778	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)n1	736432666	DPTZOLRWZFAQGE-XFFZJAGNSA-N	374.535	4.740	50	20	FJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNc1ccccc1	737068118	USRDKKKPYUNNOS-SFHVURJKSA-N	351.475	4.667	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c2ccccc12	747590025	ZEWAARVLLGZWKU-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
CCc1nc(C)c(C(=O)Nc2c(CC)cc(SC#N)cc2CC)s1	748673483	JUQXSYWURFXSAX-UHFFFAOYSA-N	359.520	4.964	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(F)c1Cl	767395451	FQZQFKXMBCNUEU-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cncs2)c(C)n1-c1ccc(Cl)cc1	767718175	MCWCDKJPAQDVKH-RIYZIHGNSA-N	367.861	4.994	50	20	FJGD	
N#Cc1cccc(NNC(=O)Nc2cccc(COC3CCCCC3)c2)c1	769984409	SOJLQQXVCAUGPD-UHFFFAOYSA-N	364.449	4.556	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1	771114531	JVGMGMIQOSYXFU-IBGZPJMESA-N	374.419	4.938	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2sc(-c3ccccc3C)nc2C)c1	775885298	XIAZCMXMSVMYOL-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)Nc1ccc(Cl)cc1	789128892	VEUVBRZIVXYGGW-FLIBITNWSA-N	355.806	4.602	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(F)c2ccccc12	794906898	KKABNLKYQCUWDR-UHFFFAOYSA-N	365.795	4.937	50	20	FJGD	
O=C(NCCN1CC=CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	797642653	JBLQAVMAWGKJPB-UHFFFAOYSA-N	371.375	4.727	50	20	FJGD	
Cc1nc(-c2ccccc2NC(=O)NNc2cccc(Cl)c2)cs1	797668305	PTNFJHFMZTZMDX-UHFFFAOYSA-N	358.854	4.921	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1cc(Cl)ccc1Cl	806982644	NFUPZFBEPYEAMN-GFCCVEGCSA-N	374.271	4.864	50	20	FJGD	
ClCCCOc1ccc(CNc2cccc(Cn3cccn3)c2)cc1	811453197	QIEWEAYMYDHUMO-UHFFFAOYSA-N	355.869	4.551	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(OCC(F)(F)F)c1	812765907	ZEFOLZYHQDDIMP-UHFFFAOYSA-N	366.383	4.816	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(-c2ccccc2F)on1	812767974	YVJUVNTZPKUWJR-UHFFFAOYSA-N	353.397	4.669	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	814187701	QYAGDFRBZNDZKI-IPHIQAOOSA-N	360.457	4.564	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1C[C@H]2CC[C@H]1C2	814761403	VQMGAXHJXFFQCZ-JQWIXIFHSA-N	359.882	4.557	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	915841863	XIBAHROHDJWTBS-UXBLZVDNSA-N	358.182	4.573	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2C)c1	918714491	YOGLROMPYMLWQG-LPYMAVHISA-N	369.468	4.955	50	20	FJGD	
Cc1ccc(NNC(=O)c2scc(C)c2Br)cc1Cl	1321892264	JLAXLDAIMZNTCV-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn2ccncc12	1324132867	HMXRSJARFJQYMR-UHFFFAOYSA-N	364.299	4.639	50	20	FJGD	
Cc1cccc(NNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1	104115273	GWAAIEIATRVASJ-UHFFFAOYSA-N	363.895	4.899	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127715020	ZDOKKESCQQJUFN-FYJGNVAPSA-N	353.425	4.911	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	132593919	JJRCQQYTILAVTG-NVNXTCNLSA-N	350.805	4.758	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(OC(F)F)c(C)c2)c1	211489025	PPRTVQCCFZJYNV-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2c(Br)sc(C)c2C)c1	282069948	WSBGMQOBIUQNEA-UHFFFAOYSA-N	353.285	4.501	50	20	FJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC[C@@H]3CCC(C)C)sc2n1	727253946	ODLDXEYUCHUDCA-CQSZACIVSA-N	372.538	4.817	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1Cl	728858549	RBAVBCXXKCMNFF-UHFFFAOYSA-N	356.775	4.780	50	20	FJGD	
N#CCCN(C(=O)CCCC[C@@H]1CCSS1)c1ccc(F)cc1	732094047	NMYYOHJWJDDKJM-MRXNPFEDSA-N	352.500	4.786	50	20	FJGD	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCP(=O)(c1ccccc1)c1ccccc1	744403742	XVGSKWRZSWCGRZ-ZRCGQRJVSA-N	367.473	4.654	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)c1nnc2n1CCCCC2	761392424	LYPPIHUOBCHEJP-DHZHZOJOSA-N	351.212	4.515	50	20	FJGD	
Cc1sc(Cl)nc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	762840700	HEVIMSGKEZOOMK-UHFFFAOYSA-N	371.076	4.822	50	20	FJGD	
CC(C)(C)[C@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762978708	PACAOOFRJUEOTO-NSHDSACASA-N	362.364	4.873	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1csc(-c2cccs2)n1	766751281	VEDCVAFLDVFWHF-LLVKDONJSA-N	374.325	4.724	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc2c(Cl)cccc2s1	775257556	MCGYMRIPTICQMI-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	782158481	RFPMZHCANMSHTH-KOLCDFICSA-N	372.359	4.587	50	20	FJGD	
COc1cc(NNC(=O)CCc2ccc(-c3ccccc3)o2)ccc1Cl	790180159	HLBFDHFDUZBUNV-UHFFFAOYSA-N	370.836	4.685	50	20	FJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1cc(Cl)cc(Cl)c1	791732407	CYZODLQMHWYGNW-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)[C@@H]1OCCc2sccc21	814177692	MBXUIRWERRMSGA-LIRRHRJNSA-N	365.926	4.548	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](c2ccncc2)C1	816607912	JHKFVJNVUGUJNG-DLBZAZTESA-N	350.553	4.502	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1	817016136	HRRSIIQOLBVCEU-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(Cl)cc(Cl)c1	913188066	ZGMLZULZFAJFFO-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccccc1	915841611	OIDXWWYNDSWREU-RVDMUPIBSA-N	365.795	4.763	50	20	FJGD	
O=C(NNc1nccc2sccc12)Nc1ncc(-c2ccccc2)s1	920937251	BIVUPIGJJFPHGH-UHFFFAOYSA-N	367.459	4.568	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc2cnn(C(C)C)c2nc1Cl	1317825950	NXGWJXCPDTXYBP-OVCLIPMQSA-N	364.836	4.764	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)cc1	158695429	NZSUBEYIOSOBNH-UHFFFAOYSA-N	373.884	4.780	50	20	FJGD	
CN1CCC[C@@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192262561	ZYRKWEIPAUZCSX-NSHDSACASA-N	373.391	4.807	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)cc(OC)c2)cc1	211685009	CDDBVBBUOMITSE-YQYFLZKSSA-N	364.445	4.763	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(Oc3cnccn3)cc2)c1	255071075	ASVQSIHEYKDCOD-XDHOZWIPSA-N	355.397	4.676	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc(Cl)c1O	255904295	QSPBFHUJKNLBRP-QPEQYQDCSA-N	366.804	4.715	50	20	FJGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(-c2ccncc2)cc1	745204328	LWQINUMHNSNXPJ-UHFFFAOYSA-N	357.457	4.567	50	20	FJGD	
COc1ccc(C2(C(=O)NNc3ccc(Cl)cc3Cl)CCC2)cc1	748009445	KUPYUDWFSLVOSU-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
CCCn1c(C)c(C(=O)NNc2ccc(F)cc2C)c2cc(OC)ccc21	748563588	SWJSSXNHHNCKID-UHFFFAOYSA-N	369.440	4.573	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3cccs3)s2)cc1	751513041	MYEMHYOYCORRFI-GXDHUFHOSA-N	365.483	4.980	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1csc(-c2ccsc2)n1	766747107	KORNHZXUDDEPJQ-LLVKDONJSA-N	374.325	4.724	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccc(C(F)(F)F)cn1	768484940	USVBRRRBRDIORF-CYBMUJFWSA-N	365.442	4.858	50	20	FJGD	
O=C1N[C@@H](CC2CC2)C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1	771859949	LHOBCFHKYVECJE-NSHDSACASA-N	356.316	4.569	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	773143875	GBXJXZGGTOEBDD-NTUHNPAUSA-N	374.755	4.576	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1Br	774558019	IFYDYGIYBFIQSK-ZSOIEALJSA-N	373.206	4.739	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)c1ccc(OC(F)F)cc1	776259839	RDXVRZHUFODPLR-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccccc3)o2)c1	779708793	YZRBHRLFVLDIBM-NTCAYCPXSA-N	360.369	4.626	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N(Cc1ccco1)Cc1cccs1	781072926	VPFWLVKMJAKMHP-AWEZNQCLSA-N	370.312	4.680	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1OCc1ccccc1	781553929	ZSTRYGLYAFTPLQ-MOSHPQCFSA-N	361.441	4.940	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cn(C)nc3C3CCCCC3)n2)cc1	783689016	QWLWCLUPBXKZTG-PDGQHHTCSA-N	373.460	4.890	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1)c1ccccc1	787178459	MCHBNCCBMYTUEU-LVSKKATPSA-N	373.481	4.985	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1	787460589	IXMXIDLBGQXJMM-GHMZBOCLSA-N	360.788	4.667	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1)c1ccccc1	790609668	NRCQXMCFEDWFRM-QZFKAFNDSA-N	353.491	4.615	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccnc1Sc1ccccc1	799755250	WAFRQFQYYMDYAS-UHFFFAOYSA-N	363.486	4.861	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(C)c1OC	806553923	DFKLOTPZRRWZIE-YBEGLDIGSA-N	360.413	4.592	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(OC)cc2)cc1	810202901	SVZQTPIZPVQWPV-CPNJWEJPSA-N	371.440	4.828	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc2c(s1)-c1ccccc1OC2	912643277	ONAAZJSKFRIRCS-UHFFFAOYSA-N	356.834	4.718	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)cs2)cc1	918712653	AAICKNGQBUGTMO-PXNMLYILSA-N	374.421	4.637	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-]	14824209	AADIDNLIIHSIHP-UHFFFAOYSA-N	374.611	4.620	50	20	FJGD	
Cc1ccc(-c2ccsc2C(=O)NNc2cc(F)c(F)cc2F)cc1	115718516	SQZZVYFUOWOORO-UHFFFAOYSA-N	362.376	4.898	50	20	FJGD	
CSc1cc(C(=O)NNc2ccc(F)cc2F)c(Cl)cc1Cl	131242415	CKTINNYTDLJAEP-UHFFFAOYSA-N	363.216	4.750	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(Oc2ccncc2)c1	133363559	MDNBLXIOLAGXOM-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C	206956146	WPKAPCQPLYOGRM-NVNXTCNLSA-N	366.269	4.949	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)c1ccc(F)c(Cl)c1	255075763	HBTCWFJWXSIBDQ-FLIBITNWSA-N	360.175	4.570	50	20	FJGD	
C[C@@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)c1cnn(C)c1	283874991	AIISVNPQIDHBLX-MRXNPFEDSA-N	359.590	4.793	50	20	FJGD	
C[C@H]1C[C@@H](CO)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	288676145	BHFBZOJQSLIUDA-QWRGUYRKSA-N	374.375	4.969	50	20	FJGD	
O=C(NNc1ccc(Br)cc1F)Nc1cccc2ccccc12	728594149	NUQNTIOJHGBVAT-UHFFFAOYSA-N	374.213	4.890	50	20	FJGD	
O=C(NNc1ccccc1F)/C(=C\c1ccc(F)cc1)c1cccs1	748050288	WTZMPAKWECYUSJ-QINSGFPZSA-N	356.397	4.710	50	20	FJGD	
O=C(NNc1ccccc1Br)c1ccc(-c2ccco2)s1	748069557	AIAOIVITDJJUJK-UHFFFAOYSA-N	363.236	4.528	50	20	FJGD	
CC[C@@H]1CC[C@@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)O1	757353077	XGYCEZRCBWWMBF-PUYPPJJSSA-N	367.820	4.802	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773143917	GMDXUJOAOVXRSO-OVCLIPMQSA-N	363.310	4.781	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(Br)n2)cc1	777910811	DHCXVYGPJYDQRL-RVDMUPIBSA-N	355.235	4.586	50	20	FJGD	
CCOc1cc(C(=O)NNc2c(C)cccc2C(C)C)cc(Cl)c1O	794950496	YCSGBWOTKJURNQ-UHFFFAOYSA-N	362.857	4.633	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(C(C)C)c1-c1ccccc1	799757856	MEWCGLQHGYZLHG-UHFFFAOYSA-N	362.477	4.759	50	20	FJGD	
Cn1c(SCCO[Si](C)(C)C(C)(C)C)nnc1-c1cccs1	821074927	PUUHFULVVGGSSN-UHFFFAOYSA-N	355.605	4.658	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1C	840713935	BPZLBUCZHYWKMY-XSFVSMFZSA-N	361.489	4.732	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1Br	843263434	CATYZPAJVRITIO-SDQBBNPISA-N	361.264	4.856	50	20	FJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)OCC(F)(F)F	853429194	FADFOHDQFGFTHC-UHFFFAOYSA-N	355.360	4.500	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cccc(Oc2ccccc2)c1	110781589	UEUJVDVYQIWYTC-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1nc2cc(Cl)ccc2s1	129538903	XMCVHXFDZYSBPQ-YHYXMXQVSA-N	357.778	4.628	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(F)c(OC)c1	178309248	UCDIGYQORDZYOA-UHFFFAOYSA-N	358.438	4.785	50	20	FJGD	
O=C(NCC1CCOCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192256618	GZBZVRRHKAHUAN-UHFFFAOYSA-N	360.348	4.892	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(CC)CC)ccc1OCC(F)(F)F	726117999	HKECYXAPUUDMJB-DHDCSXOGSA-N	369.383	4.939	50	20	FJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)s1	731159836	XRLJJGCUTYQLAU-LUAWRHEFSA-N	361.264	4.619	50	20	FJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccccc2F)cc1C	748056694	MMCRXKFKMBNEIZ-UHFFFAOYSA-N	367.449	4.746	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(C)c(OC)c1	748668187	YDCULMCRTOYCBD-UHFFFAOYSA-N	368.502	4.883	50	20	FJGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	748710182	NSFPLGQHYVHLCV-AWEZNQCLSA-N	366.383	4.573	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1ccc(C(F)(F)F)cn1	754313037	WBKNGFBDWAPTIJ-OLZOCXBDSA-N	363.383	4.533	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccncc2)c1C	757680496	YTDSRXDNUOOTDN-VJOZSWGJSA-N	351.450	4.511	50	20	FJGD	
Cc1csc(Sc2ccc(NC(=O)NNc3ccccc3)cc2)n1	762235026	AKSCSTXLJYRZHR-UHFFFAOYSA-N	356.476	4.751	50	20	FJGD	
Cc1cc(Br)ccc1C(=O)NNc1c(Cl)cccc1Cl	763608747	AFXXROOFINFCRT-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143771	FFTAQWWBWVBASP-WDZFZDKYSA-N	355.237	4.913	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cccn3Cc3ccccc3C#N)[nH]c12	782197845	ZRXJCMJCOPZRPZ-XDHOZWIPSA-N	363.424	4.657	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794870560	VQIMJRBTEMFAOP-DHDCSXOGSA-N	372.371	4.536	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(-c2csc(C)n2)c1	799755755	RNMQJFCDRFUHIB-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
CCO[C@H](C)c1nc(CN(C)CCO[Si](C)(C)C(C)(C)C)cs1	808730447	GWSWMNISFWDEBU-CQSZACIVSA-N	358.624	4.694	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cscc2C(F)(F)F)c(C)c1	811626093	BTKFVNGURPJFTQ-WUXMJOGZSA-N	350.365	4.929	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	812243006	APBQRAKDSRATPX-SDQBBNPISA-N	367.273	4.782	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1	812768323	OMZMZNHFVNNJFL-MRXNPFEDSA-N	366.509	4.507	50	20	FJGD	
C[C@H](CCCc1cccnc1)NC(=O)CCCC[C@H]1CCSS1	837758078	HLFFYZYHTWESAC-WBVHZDCISA-N	352.569	4.623	50	20	FJGD	
COc1ccc(-c2ccccc2C)cc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	840720336	PQBYTIZYSTZDDE-ACRNLXFHSA-N	361.441	4.573	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC([C@@H]2CCCCO2)CC1	855950931	MMTXDTDZYDCCFT-SJORKVTESA-N	357.585	4.508	50	20	FJGD	
COc1ccc2cc(/C=C(/C#N)c3nc(-c4ccccc4)no3)ccc2c1	916131108	BWXWJUYXGVFMCE-UNOMPAQXSA-N	353.381	4.963	50	20	FJGD	
Cc1ccsc1C=NNC(=O)c1ccccc1OCc1ccc(F)cc1	916295573	XJALUDKEXYCHMK-UHFFFAOYSA-N	368.433	4.539	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(C)ccc12	920068897	SYFHMZQYVYMNSE-ZSOIEALJSA-N	350.805	4.928	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776682967	ZPDKHWMOQODRNF-NDENLUEZSA-N	361.441	4.893	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC	57770092	DDOVXSNAEYGXGK-WQRHYEAKSA-N	362.429	4.504	50	20	FJGD	
CC(=O)Nc1ccc(C)cc1NC(=O)CCCC[C@H]1CCSS1	68191861	HOBMBHYUDBNDBB-AWEZNQCLSA-N	352.525	4.606	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1)c1ccccc1	171157549	JDHFGXJCKFQOMS-BRFSQIRFSA-N	359.454	4.594	50	20	FJGD	
CCC(CC)c1cc(CNC(=O)CCCC[C@@H]2CCSS2)on1	174042221	VDSBEMNHBLDWEK-OAHLLOKOSA-N	356.557	4.909	50	20	FJGD	
Cc1ncc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)s1	195581128	YBZXFMHHUAPTFK-NVMNQCDNSA-N	371.506	4.566	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Br)cc2F)s1	729819886	GZKVWTAGXGBFBA-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	748059466	SDJXAQXKEJYWBG-UHFFFAOYSA-N	360.310	4.667	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc(Oc2ccccc2)c1	748654583	WPMDXHONUGBWLI-UHFFFAOYSA-N	370.355	4.837	50	20	FJGD	
COc1cc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1OC	751445560	DBLCJKXZIFPYDF-SXGWCWSVSA-N	360.413	4.592	50	20	FJGD	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCC[C@@H]1CCSS1	767081038	MYKOHFODZVBEOD-XJKSGUPXSA-N	369.527	4.617	50	20	FJGD	
Cc1cccc(F)c1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	776348922	DMORRNKBLUSDIM-ZDLGFXPLSA-N	353.441	4.754	50	20	FJGD	
Cc1ccc(-c2ccsc2C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	791076694	UDGIGDKRDYIMSM-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
N#C/C(=C/c1cscc1Br)C(=O)c1cccc(Cl)c1	794685169	DLFNBMVDEUXPFS-WMZJFQQLSA-N	352.640	4.954	50	20	FJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1F	794875813	WGRBFMJGWAJSHE-XFXZXTDPSA-N	369.758	4.594	50	20	FJGD	
COC(=O)c1occc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	797157605	RPXABKUXKOANHX-JYRVWZFOSA-N	370.817	4.907	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(C(F)(F)F)s1	803191030	YNHPRYGSWIEJTK-UHFFFAOYSA-N	355.168	4.831	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@@H]1O	806400784	FFQHQGMJDHFVLT-CABZTGNLSA-N	360.348	4.579	50	20	FJGD	
ClCCCOc1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1	811490864	YRAAXAHGZWERJT-UHFFFAOYSA-N	366.288	4.572	50	20	FJGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1ccc2ccccc2c1	814219474	YYHDAPRZRXARNA-VNQJEPLSSA-N	358.441	4.805	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1	817882580	UGIWSKDSSOOPTG-UHFFFAOYSA-N	366.392	4.774	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCC(=O)c1c(F)cccc1F	854577834	DUYXBAHUMRXGFW-UHFFFAOYSA-N	360.404	4.503	50	20	FJGD	
CC(C)[C@@H](CNC(=O)CCCC[C@H]1CCSS1)Nc1ccccc1	899868252	NFBVQXNUBCDSLL-ZWKOTPCHSA-N	366.596	4.953	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccccc1OC(F)F	915844293	USFNMWVJDYCUPN-ATVHPVEESA-N	370.399	4.958	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H](c1cccs1)C1CC1	918199673	NNIWHRZBJCZNLB-AWEZNQCLSA-N	355.385	4.544	50	20	FJGD	
C=CCCO[C@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	921151427	WONIDRHOKDNQFE-QMTHXVAHSA-N	367.820	4.826	50	20	FJGD	
O=C(CCc1nc2ccccc2s1)NNc1ccc(Cl)cc1Cl	1335062153	RWAZHTJXAXSPGN-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnn(-c3ccccc3)c2)cc1	18063729	SKRZBXMPXDCRHT-NNIWKIFQSA-N	370.456	4.931	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	36280256	PJMQPOPWOQHUDL-VZUCSPMQSA-N	374.195	4.610	50	20	FJGD	
Cc1ccc(NNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1	98115974	QVZBJBNPVODDHP-UHFFFAOYSA-N	363.895	4.519	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(-c2ccccc2Cl)o1	178483169	FQBSSESVGBKQGA-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	179615501	QSMHHSXVGJPINC-AAWHYMEISA-N	354.768	4.560	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccccc1OCc1ccccn1	193347399	SBQSUGQJBDHDGS-SFQUDFHCSA-N	360.438	4.820	50	20	FJGD	
Cn1c(/C(C#N)=C/c2csc(COc3ccccc3)n2)nc2ccccc21	193691228	DCAZICZAKNVMEO-RVDMUPIBSA-N	372.453	4.673	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCCC(C)C)cc2)c1	207823504	UJBUATHRODLOHA-AQTBWJFISA-N	364.445	4.666	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1OC	588580665	NXSPQTRJVBPASE-ATVHPVEESA-N	359.429	4.881	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cnc3ccccc32)cc1)C(=O)c1ccccc1F	732577425	ZPHNRLZQFBVRGQ-LGMDPLHJSA-N	367.383	4.954	50	20	FJGD	
CC(C)=CCOc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	741879746	MOALFZJYCZGNHI-UHFFFAOYSA-N	364.367	4.807	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1cc(C)c(Cl)cc1OC	747007270	UFPBOJDRISQGLN-DHDCSXOGSA-N	370.836	4.520	50	20	FJGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	748710184	NSFPLGQHYVHLCV-CQSZACIVSA-N	366.383	4.573	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)nc3)c2c1	752808609	XULINJYLRDFXLD-UHFFFAOYSA-N	366.852	4.534	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1C#N	766290118	NPGDZLGGBFOILL-CHHVJCJISA-N	358.294	4.814	50	20	FJGD	
Cc1coc(-c2cc(NC(=O)[C@H](Br)C(C)(C)C)ccc2C)n1	768277100	IXTQIQDJTXLWPR-AWEZNQCLSA-N	365.271	4.707	50	20	FJGD	
COc1cc(NNC(=O)/C=C(/C)c2cccc(Cl)c2)ccc1Cl	790178863	CXQCLVANKLMJLU-FLIBITNWSA-N	351.233	4.549	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccoc1	798229691	GITMLSFONIFBHY-CPNJWEJPSA-N	365.392	4.922	50	20	FJGD	
CC(C)(C)n1cnc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	812542761	BSLNZXPIRDUXKF-UHFFFAOYSA-N	370.347	4.943	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(-c2ccccc2F)c1C	812764911	MVXUNGQASPZUOJ-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(Cl)c(F)cc1Cl	815857498	GSZBUPXYCGNHRW-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCO[C@@H](c2cccs2)C1	837227941	RZRDGEYBJKJOFJ-QLFBSQMISA-N	371.593	4.799	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3[nH]c(C)cc3c2)c1C	914763479	DZFZLBCBTRCBSB-YBFXNURJSA-N	360.461	4.850	50	20	FJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1	917145316	QUHAGIPBTSUPNE-GDNBJRDFSA-N	370.836	4.683	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1	917594699	XMYHEWZYXBVCNL-AQTBWJFISA-N	366.380	4.998	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1	1319299860	XPOQZRYRTGUGDD-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
CC(=O)Nc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	63279012	FIUVYPRDKGDZBM-VCHYOVAHSA-N	370.437	4.704	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)[nH]c(C)c1C(C)=O	181155703	QAESPZCGJMCYHM-UHFFFAOYSA-N	355.482	4.533	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCc2cccnc21	193773689	RFGOYMPJOHCLHG-NSHDSACASA-N	370.667	4.605	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	213311329	SQHZTHFWUPWAQM-UNOMPAQXSA-N	365.477	4.705	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)c1cnc2ccccc2n1	588580772	POLPFHILVSRLBU-PTNGSMBKSA-N	371.831	4.842	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC1(c2nccs2)CCCC1	734824134	IRORNJFQLXVHKE-CYBMUJFWSA-N	356.582	4.743	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccc(Nc2ccccc2)c1	740087999	SYPUMIRBUAAKQX-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc(C#N)o3)c2C)cc1	742349544	GMGATAMKVDQGKI-LDADJPATSA-N	369.424	4.911	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H](C)c2ccc(Br)cc2)c(C)c1	767084060	JPBSPWPZMGYNGK-CQSZACIVSA-N	361.283	4.621	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(-c2cccs2)n1	769551563	OUAGCTFAUOWKQK-MDWZMJQESA-N	353.834	4.592	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1cccc(F)c1	772171110	CUGNGXLRGBPWHL-KAMYIIQDSA-N	362.316	4.784	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773152207	RGWIVYWKMQAJOO-VZUCSPMQSA-N	355.237	4.913	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](OC(C)(C)C)c1ccccc1	777478041	AVKFIYDUAODCRQ-LJQANCHMSA-N	363.461	4.543	50	20	FJGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccc(Cl)cc1F	779774691	KCQOTQKGWHAABO-UHFFFAOYSA-N	358.756	4.628	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(OCC(F)(F)F)cc2)cc1	780806370	NLZPKMGVOZYNKL-UHFFFAOYSA-N	366.383	4.682	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(SCc2ccccc2)cc1	786042679	DAKLMLPTJSLZEK-CPNJWEJPSA-N	357.500	4.668	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)OCCCCO2)c1cc(C(F)(F)F)ccn1	834441147	AVVLNQRTDYHNIA-ZROIWOOFSA-N	360.335	4.716	50	20	FJGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)n1	846378309	GCFWKWKUPBKXPY-UHFFFAOYSA-N	374.794	4.673	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	1324448754	DICRUEAZROGOAF-UHFFFAOYSA-N	373.334	4.643	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(-c2cccs2)c1	74546642	NTYJBDADJUDCIJ-UHFFFAOYSA-N	359.882	4.720	50	20	FJGD	
COCCCCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	120964167	VEEGFFJULPXFJI-ZDUSSCGKSA-N	355.809	4.661	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)c1	152639869	YUIGKRWKDZPJDK-UHFFFAOYSA-N	370.437	4.592	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c(SC)cc1OC	154291410	FQNDVWFNWXPANO-SXGWCWSVSA-N	353.443	4.524	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)o1	177613566	LJWUMVBNDXKNQU-JXMROGBWSA-N	358.806	4.784	50	20	FJGD	
CCSc1cc(CNC(=O)CCCC[C@@H]2CCSS2)ccn1	188668447	FWZALHXLEUJSJF-CQSZACIVSA-N	356.582	4.524	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1	588424993	VYLUNGSSBPPLBU-KAMYIIQDSA-N	355.850	4.541	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cnn(-c3ccc(Cl)cc3)c2)c1C	727655613	YXSQHFMDJCJXIU-YVLHZVERSA-N	361.832	4.932	50	20	FJGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	731836007	YVXAYQRWKYCKSZ-UVTDQMKNSA-N	367.330	4.799	50	20	FJGD	
O=C(NNc1ccccc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1	732266120	LBNHLJDFPPVBSO-UHFFFAOYSA-N	373.243	4.889	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	733362084	MXJVIBYARLPFDW-MNOVXSKESA-N	357.187	4.518	50	20	FJGD	
O=C(Cc1ccc(-c2ccccc2)cc1)NNc1nccc2sccc12	734247930	ATWJOLBRSZXYFH-UHFFFAOYSA-N	359.454	4.649	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccccc3Cl)c2c1	748331208	CABRULQGACVONR-UHFFFAOYSA-N	351.837	4.831	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F	751955173	PGMUGJRGCMAZDL-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccc(OC(F)(F)F)cc1	756013639	ZNVLXSHZVWZVPQ-ZHACJKMWSA-N	370.758	4.785	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1	756783718	LHWZPEQZYMQGIZ-NTEUORMPSA-N	352.340	4.868	50	20	FJGD	
CCO[C@@H](C)c1ncc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)s1	757421106	CNVIHSQCCWNRGU-NSHDSACASA-N	372.402	4.521	50	20	FJGD	
COc1c(Cl)cccc1NC(=O)NNc1ccccc1C(F)(F)F	769976673	FLFLGWMCQGXEBR-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	780913724	MWSMRFWPHUWICB-ZJUUUORDSA-N	365.389	4.811	50	20	FJGD	
CO[C@H](C)c1nc(COC(=O)CCCC[C@H]2CCSS2)cs1	782341237	IHKQBANMWYFBID-YPMHNXCESA-N	361.554	4.608	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c(OC)c1OC	797406011	NHQNPEITHCVRTE-UKTHLTGXSA-N	358.463	4.531	50	20	FJGD	
Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NNc1ccccc1	797745314	OAYMCEVPLLVQEP-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(-c2cccc3cccnc23)cc1	802824570	GHLRZNMIDDHLIM-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
N#Cc1c(COC(=O)CCCC[C@H]2CCSS2)cn2ccccc12	818006617	YTLLZPATFRIPTO-HNNXBMFYSA-N	360.504	4.568	50	20	FJGD	
C[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H]1CN	841191218	WEXQXOMAKJXEHX-GWCFXTLKSA-N	373.391	4.935	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)s1)C(=O)Nc1ccccc1	1776118331	BKXKIEPESQMSJB-VBKFSLOCSA-N	374.421	4.659	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CC[C@](F)(C(=O)O)C2)c1	1776269098	JWUWXUGOZWONIX-HNAYVOBHSA-N	367.537	4.506	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	59335333	MVTPHWJGZAHNJF-DHDCSXOGSA-N	370.836	4.601	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(Br)cs1	151925047	KPQJNMBTPZQVBD-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccsc1	172721523	LOLWWHLEOCPLQY-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	178487233	QETKENJAGDXDHW-NHCUHLMSSA-N	353.425	4.635	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc4ccccc4n3)c2c1	181105195	QLFWQTLZVMLIDH-UHFFFAOYSA-N	368.440	4.726	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccccc1F	732577258	VALCWEVJWDHHQO-KAMYIIQDSA-N	362.316	4.784	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)n1	741847409	GKHLOFZUWBFOFK-WQLSENKSSA-N	369.421	4.872	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC1CCCC1)C(=O)NC1CCCC1	742431543	JWPNBSQHRAPUMM-RVDMUPIBSA-N	358.869	4.627	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1	749194369	SQAFZEZWMDGKLQ-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CC(C)(C=NNC(=O)Nc1ccc(Br)cc1Cl)CCC#N	755743006	GQCPXGFJHVWZTK-UHFFFAOYSA-N	371.666	4.540	50	20	FJGD	
O=C(CCn1ccccc1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518050	JFVFCLQMOQLDDG-UHFFFAOYSA-N	368.327	4.535	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	764411673	NJVYHYOMPVWNLU-TWGQIWQCSA-N	353.230	4.609	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)C1CCC(C(F)(F)F)CC1	768091076	SGGBBWSNSKMKPP-UHFFFAOYSA-N	355.187	4.805	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC	774560002	USCIKBCNWQTANY-GZTJUZNOSA-N	352.390	4.765	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1OC	780375263	VEFQRDVTAWELTE-ZSOIEALJSA-N	361.319	4.512	50	20	FJGD	
CC[C@@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782981368	DGYNPBIHKVAWRR-SNVBAGLBSA-N	365.389	4.765	50	20	FJGD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CCCC[C@@H]1CCSS1	787493746	BQGGYBSHIUYFST-NEPJUHHUSA-N	355.491	4.890	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccccc2Cl)on1	799755827	SBKPOWPKHYEEKN-UHFFFAOYSA-N	355.825	4.623	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncsc2C(C)C)c(C)n1CC(C)C	809392804	HEDCRWZFCHEEQF-IUXPMGMMSA-N	370.522	4.887	50	20	FJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)c1ccc2ccccc2c1	816486655	MNSGPZKEENTFHJ-ZDUSSCGKSA-N	368.868	4.653	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1	829587850	OHPXFNGERDKJTL-UXHICEINSA-N	361.602	4.819	50	20	FJGD	
C[C@@H](N)[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179735	RLAPYUUDSXKMBW-ZJUUUORDSA-N	359.364	4.545	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1OCCCC#N	843263073	AFHPXLYKTYPVKM-YBEGLDIGSA-N	365.458	4.776	50	20	FJGD	
CC[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	849463755	LPGQIWAMGHKQFM-LBPRGKRZSA-N	365.389	4.811	50	20	FJGD	
COc1ccc(NNC(=O)c2sccc2C(C)C)c(C(F)(F)F)c1	857265376	LAFPMMSRBYTLLD-UHFFFAOYSA-N	358.385	4.656	50	20	FJGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	915946721	SLOPBXJTAVZOQV-ZETCQYMHSA-N	365.692	4.556	50	20	FJGD	
COc1ccc(C[C@H](C)N(C)C(=O)CCCC[C@@H]2CCSS2)cc1	1251420870	UHPNNTVPBIWIDE-MAUKXSAKSA-N	367.580	4.799	50	20	FJGD	
Cc1nnc(O)c(CNCc2cccc(S(F)(F)(F)(F)F)c2)c1C	1339871426	PZMZNYCKXCXGMY-UHFFFAOYSA-N	369.359	4.746	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1F	8199332	FAVJMSJQNUKUBH-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1ccccc1	151715118	HQYRHRWTAXYXKP-UHFFFAOYSA-N	365.414	4.503	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1oc2ccccc2c1COC(C)C	160993380	ZDOMNWBZLSLOHN-UHFFFAOYSA-N	356.397	4.562	50	20	FJGD	
C=C(C)CN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181762179	YCVLBVOAJIBNDG-UHFFFAOYSA-N	351.362	4.541	50	20	FJGD	
CCN(CC)CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261575	CIEQJMRCWYDSGG-UHFFFAOYSA-N	361.380	4.807	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnc2ccccc2n1	588580882	SXTDRBPVHUOULA-PTNGSMBKSA-N	368.352	4.862	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1F	731490216	VHCQKJLIMFMKAY-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
CCc1ncsc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	747229847	RONJZMZBSDRZCI-YVLHZVERSA-N	370.522	4.716	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@H](Sc1ccccc1)c1ccccc1	748087286	OHBAWNUFHDADAM-LJQANCHMSA-N	352.434	4.802	50	20	FJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1cccc(F)c1	748091124	FLULQQPYVRZLHL-DAXSKMNVSA-N	358.722	4.654	50	20	FJGD	
CC1(C)C(=NNC(=O)c2cc3ccccc3cc2O)C[C@@H]1c1ccccc1	768476534	OPDPUNUDQJVIKO-LJQANCHMSA-N	358.441	4.845	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1nccc2sccc12	775603745	CEUAPWFFZSUTIZ-UHFFFAOYSA-N	372.519	4.866	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1)c1ccccc1	787177928	JKNNKYOMJCQRNL-LVSKKATPSA-N	357.413	4.516	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1F	799893529	RQAFLCZCYYJXEA-LFYBBSHMSA-N	350.176	4.931	50	20	FJGD	
O=C(O)C/C(=C\c1ccc(OCCCCl)cc1)c1nc2ccccc2o1	811687623	ICEMZZCCGDGJOH-NTCAYCPXSA-N	371.820	4.851	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1OCC	812245510	SNDVWSLLOOPSOX-WJDWOHSUSA-N	367.405	4.632	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)c1cc(C(F)(F)F)ccn1	812248325	JXDCPCWBVMBWOG-OVCLIPMQSA-N	352.319	4.622	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCC[C@H]1CC1(Cl)Cl	846586410	BZJRCIBFOCTQKW-RYUDHWBXSA-N	356.384	4.791	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]2NCC[C@H]21	868147688	MEIXQJOOPRLPHX-QWHCGFSZSA-N	371.375	4.702	50	20	FJGD	
CC1(C)Oc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2O1	915744094	WOODCABADZKSFX-CYBMUJFWSA-N	353.509	4.847	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1OC	921138410	JPRFAJXXHRZBOR-MLPAPPSSSA-N	362.212	4.800	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccc(F)cc2s1	921232426	DRDSLUHSHQMAIB-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
COc1cc(C(=O)O)ccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	1777269671	ALDWRRSZSQGGPM-SXGWCWSVSA-N	362.410	4.581	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(OCc2ccc(F)cc2)CC1	91888996	CEHLHSAADGWOBT-ZVBGSRNCSA-N	354.400	4.510	50	20	FJGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	124914024	WPMQVXLMAXDFGQ-NSIKDUERSA-N	359.212	4.742	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	186854813	IFDKUCWXVXYLSP-XSFVSMFZSA-N	369.424	4.611	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1noc2c1CCCCC2	188102916	ROVQPDROHRJNRP-UHFFFAOYSA-N	369.490	4.894	50	20	FJGD	
C[C@H]1C[C@@H](CO)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	288754953	HKSFQTJXCJBDLH-QWRGUYRKSA-N	374.375	4.969	50	20	FJGD	
Cc1cccc(-n2c(C)cc(C(=O)NNc3ccc(F)c(F)c3F)c2C)c1	728718440	JCVHANYAVVTQEJ-UHFFFAOYSA-N	373.378	4.577	50	20	FJGD	
Cc1nc(/C(C#N)=C/C2=Cc3cc(Br)ccc3OC2)sc1C	741467370	MPYNORSXNDFLHZ-MKMNVTDBSA-N	373.275	4.905	50	20	FJGD	
COc1ccc([C@@H]2CCN(C(=O)CCCC[C@H]3CCSS3)C2)cc1	749857048	AHXJXWQQPRFLKC-AEFFLSMTSA-N	365.564	4.725	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccc[nH]3)c2C)cc1	760741529	UZIRTEIUKQNBTN-NNIWKIFQSA-N	372.472	4.515	50	20	FJGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)c(C(F)(F)F)c1	773146016	VQDKOCODAFGFLI-GHXNOFRVSA-N	364.254	4.543	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	787325222	KFFNKTGWODRLCR-KZFLWGQDSA-N	366.848	4.610	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794883488	BLTANPVTLXCOHQ-RGEXLXHISA-N	364.408	4.519	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cnn(-c3ccc(F)cc3)c2)s1	797398239	FMTUTLXLLODFSR-ZSOIEALJSA-N	352.438	4.830	50	20	FJGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)Nc1ccccc1Cl	811626839	NWTYFRPFXDYVGQ-WEVVVXLNSA-N	356.756	4.966	50	20	FJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)[C@H]1OCCc2sccc21	814177690	MBXUIRWERRMSGA-IFXJQAMLSA-N	365.926	4.548	50	20	FJGD	
COc1ccc(NNC(=O)Cc2cccc3ccccc23)c(C(F)(F)F)c1	816703747	RISBIZNUKOAREH-UHFFFAOYSA-N	374.362	4.553	50	20	FJGD	
Cc1cccc(NNC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c1	817708745	FHWGPQBVZZFECG-UHFFFAOYSA-N	360.461	4.731	50	20	FJGD	
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN(C)C1CC1	819652681	ZVCUMFKFHCAECW-UHFFFAOYSA-N	368.264	4.511	50	20	FJGD	
O=C(NOC1CCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	836256285	ODPSUTSWSVHHAX-LLVKDONJSA-N	354.781	4.512	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H]2CC[C@@H](C1)N2	841191315	YLFCCSSATIKVQX-PWSUYJOCSA-N	371.375	4.702	50	20	FJGD	
Nc1cccc(C2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)c1	842513381	CELYNXMTUUVXDI-GOSISDBHSA-N	364.580	4.689	50	20	FJGD	
C[C@@H](Sc1ncccc1Cl)C(=O)/C(C#N)=C1\Nc2ccccc2S1	913608939	MGKKRKZTVJDATQ-ILJRITOVSA-N	373.890	4.738	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)c3ccccc3)c2C)cc1	915841344	FIMVMKLVPVYWLH-FYJGNVAPSA-N	355.441	4.647	50	20	FJGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)c(C)n1C1CC1	916369390	DNONAFSLUVNXHO-UHFFFAOYSA-N	355.507	4.534	50	20	FJGD	
CCN(Cc1cccs1)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	917514828	LCBHFBKGMFKJJE-YBFXNURJSA-N	369.534	4.778	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccccc1Cl	1324279953	CWXIYMOYAXUGAM-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
Cc1ccc(F)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	7970692	LOKNNJRNLYKTFK-GIJQJNRQSA-N	353.441	4.754	50	20	FJGD	
CCc1oc2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	18909339	CRFARUOZHHAYFM-RVDMUPIBSA-N	371.845	4.987	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1OC(F)F	32789513	RWAHPGPBEGAVCA-MDWZMJQESA-N	368.339	4.568	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1csc(Br)c1	45110572	SGXRFMAXWIEZPD-AWNIVKPZSA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cncn2)cc1)c1nc2cc(Cl)ccc2s1	110086403	ZCNYMEHXGHVBJA-QPEQYQDCSA-N	363.833	4.595	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C(C)=O)cs1	175638905	ACHNYIYAFPVJIW-UHFFFAOYSA-N	358.488	4.901	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3cccs3)s2)cc1	177610297	ZREALWIQRQWDBK-UKTHLTGXSA-N	351.456	4.726	50	20	FJGD	
CC(C)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183593524	BYOZFESZSQASJI-JTQLQIEISA-N	374.375	4.833	50	20	FJGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)CCCC[C@H]2CCSS2)CCO1	246214263	XUGHAKJAOKIHOU-IKGGRYGDSA-N	359.601	4.801	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(-c2cccs2)n1	255691962	GMWITVBYPOCSJU-XFFZJAGNSA-N	371.824	4.731	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCO3)c1C	727654392	DPIRFHUIFXTICK-NVNXTCNLSA-N	353.805	4.518	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)cc1	734303176	GKRIRHYDBCGVFG-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccnc(Oc2ccccc2)c1	748581124	UWEWZDNEJHOUGG-UHFFFAOYSA-N	359.429	4.510	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc2cc(F)ccc2o1	767407743	YZCKPWXXYPXAIA-UHFFFAOYSA-N	357.143	4.775	50	20	FJGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144319	KCYBAKIDBBETOI-WCIBSUBMSA-N	350.296	4.568	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773160606	OHUFMIXVRUERMC-WZUFQYTHSA-N	354.690	4.683	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccnc1Oc1ccccc1	775504471	YHTNZNGYIBXASK-UHFFFAOYSA-N	371.400	4.571	50	20	FJGD	
CCOC(=O)Nc1ccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)cc1	780487256	HGTNNFBZVBFXNX-UHFFFAOYSA-N	370.453	4.701	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	782370331	TWGKYDPJWQXHSM-WFSQQTBHSA-N	370.330	4.786	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)c1cc2ccccc2s1	788328185	LZXIABNUJIAPPO-GRSHGNNSSA-N	369.449	4.936	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1)c1ccccc1	790609671	NRCQXMCFEDWFRM-UVQBRAAOSA-N	353.491	4.615	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)c(OC)c1	810251288	QCRYRZORVGTEJZ-WZUFQYTHSA-N	368.742	4.835	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)c1cc(C(F)(F)F)ccn1	812248101	DDWQBEYORDEHPV-BJMVGYQFSA-N	358.241	4.905	50	20	FJGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1cc2ccccc2o1	814867219	VFTJNIJDXSTUGJ-JXFKEZNVSA-N	362.429	4.501	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1	912596182	CGRDWUSXGRNQSA-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)C(C)C)s2)cc1Cl	916542072	CEIHAFSQJUZRBN-UHFFFAOYSA-N	371.293	4.608	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])oc12	919883623	HEMZOOQNCDQWSP-UHFFFAOYSA-N	373.796	4.677	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(F)cc1C(F)(F)F	133620854	MNDKOWJCDXIBPX-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1ccccc1OC(F)F	183407784	LPJJHAGHOBEGID-WYMLVPIESA-N	372.371	4.661	50	20	FJGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c1	255470442	NLSFWXDZHJJSTQ-GDNBJRDFSA-N	373.811	4.684	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)c1c[nH]c2ccccc12	255487951	WBBJJDNBRQXFBD-WJDWOHSUSA-N	366.380	4.540	50	20	FJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccc(COc2ccccc2)o1	727254205	RDLPXJRMUPLWNS-MRXNPFEDSA-N	354.450	4.935	50	20	FJGD	
CCCCN(C)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	728717487	XZOVNBHJMCJANA-UHFFFAOYSA-N	365.399	4.699	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1Cl	735616928	MZOKHOSRBPGJOH-UVTDQMKNSA-N	353.857	4.894	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc(Cl)c2ccccc2c1O	749290901	FCGCQWMGXQAHMM-UHFFFAOYSA-N	363.804	4.504	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	749885515	FCWCTBYBEFAUGW-XLUWADSXSA-N	369.154	4.523	50	20	FJGD	
C[C@H](c1nc2ccccc2s1)N1CCN(/C(=C/C#N)c2ccccc2)CC1	750791197	MZMMZBRPJIIYFZ-MLHZQLSASA-N	374.513	4.540	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(F)c(C(F)(F)F)c(F)c1	758054915	HDIRRTBKMMABLZ-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
CC[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)C1CCC(C)CC1	763449674	GFARXSDCFGRBJG-WXRRBKDZSA-N	371.308	4.607	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1	768417755	RQPAENOJXGJQQX-BSQDILAGSA-N	350.300	4.500	50	20	FJGD	
CC(C)N(CCP(=O)(c1ccccc1)c1ccccc1)CC1CCC1	769918804	AQWQKYQYNGBRPA-UHFFFAOYSA-N	355.462	4.511	50	20	FJGD	
N#Cc1cccc(Oc2ccc(NC(=O)NNc3ccccc3F)cc2)c1	770031445	UROKBFLILZOURD-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	771840324	JTEIBFNCNBYGFQ-XCVCLJGOSA-N	351.246	4.583	50	20	FJGD	
CCC[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772807115	IWCIJFYHCHREAH-VIFPVBQESA-N	360.348	4.587	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)c1cc2ccccc2s1	788326570	FPAUSQMRJOBJFT-GZTJUZNOSA-N	359.454	4.686	50	20	FJGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	799111205	PATKUSGIHJLHTH-CYBMUJFWSA-N	359.832	4.626	50	20	FJGD	
N#C/C(=C/c1ccc(OCCCCl)cc1)C(=O)c1cc(F)cc(F)c1	811690783	HRWWHWPBJRTWBG-NVNXTCNLSA-N	361.775	4.762	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cn(-c3ccccc3)nc2C(C)C)c(C)c1	819411475	OAVQAHXXLVUTPL-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
Cn1nc2c(c1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)CCC2	907392658	YYYHZQJURLCCNV-UHFFFAOYSA-N	367.343	4.819	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)COC(c2ccccc2)c2ccccc2)c1	916548819	CSWPGLRFUZILJL-UHFFFAOYSA-N	360.457	4.553	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2C)c1C	917793602	VKTWYANXZQTUHK-UYRXBGFRSA-N	365.477	4.768	50	20	FJGD	
CC(CC[C@H]1[C@@H](C)CCCC1(C)C)=NNC(=O)c1cccc(C(=O)O)c1	1776096222	QMDDJHGFCMMCDA-KSSFIOAISA-N	358.482	4.733	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2F)c1C	26379044	IHTJWFBNPASRGZ-LDADJPATSA-N	353.441	4.898	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	78481801	TUABDFZVRJCTGX-LCYFTJDESA-N	351.456	4.726	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1	120557588	GOFHFNNMUSIGNT-UHFFFAOYSA-N	369.852	4.688	50	20	FJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1ccc(Cl)c(F)c1	175451518	ZTUVCPOEEDBMND-UHFFFAOYSA-N	367.858	4.729	50	20	FJGD	
CC(C)(C(=O)NNc1cccc2cnccc12)c1cccc(C(F)(F)F)c1	178513559	FOAIRUDROICKHO-UHFFFAOYSA-N	373.378	4.675	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c(-c2ccccc2)n1	179704711	VCDBTMYFKPBRSQ-GZTJUZNOSA-N	353.381	4.623	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1OC(F)F	192756471	PNKSJZKJTYKWLH-NTEUORMPSA-N	369.323	4.833	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1OC	194531918	DRJQNRXFBGURDM-VGOFMYFVSA-N	359.784	4.676	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCc2cn[nH]c2C1	273886341	SCDCYWQGOYSZJX-SECBINFHSA-N	367.343	4.811	50	20	FJGD	
CC1(C)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1O	279445422	DHHZSYYQLRNWTJ-LLVKDONJSA-N	360.348	4.579	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccnc2cc(Cl)ccc12	729514876	OLXNDBAUEQPYJU-UHFFFAOYSA-N	374.897	4.708	50	20	FJGD	
CC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	731892832	WRSOOBNSDMUJHU-UHFFFAOYSA-N	357.624	4.606	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c(C)c1	740485848	MBDVLMZYDXXAIQ-MRXNPFEDSA-N	364.449	4.654	50	20	FJGD	
O=C(CCc1ccccc1)NN=Cc1c(OC(F)F)ccc2ccccc12	749747829	QIIHMMAMIHKMIZ-UHFFFAOYSA-N	368.383	4.524	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(C2CC2)nc2ccc(F)cc12	751069237	FSHXADLSYZSAKK-UHFFFAOYSA-N	373.790	4.801	50	20	FJGD	
CC(CC1CCCC1)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	752718783	PEJCRLJJYKAGOS-UHFFFAOYSA-N	372.472	4.983	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)nc2)cc1	758417291	UXGLQQMBOZYCSF-PNWWAVQQSA-N	374.488	4.741	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	763609412	RNBKOMVKLYURQQ-UHFFFAOYSA-N	366.292	4.592	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1	764888090	OJQVJQLDANHWEB-QGOAFFKASA-N	355.397	4.728	50	20	FJGD	
C[C@@H](CBr)CN1CCc2sccc2[C@@H]1c1cccs1	770643988	IUUWLEPVJWKGSH-XHDPSFHLSA-N	356.354	4.788	50	20	FJGD	
Cc1cc2occ(C(=O)NNc3ccc(Br)cc3)c2cc1C	771421356	DLEDVGVGBZRWNV-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CCCC[C@@H]1NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771857756	CRLYBZZELGQQRZ-NSHDSACASA-N	358.332	4.959	50	20	FJGD	
Cc1cc2cc(NC(=O)NNc3ccccc3OC(F)(F)F)ccc2[nH]1	779424565	AEEVCZOOQYFXPM-UHFFFAOYSA-N	364.327	4.524	50	20	FJGD	
COc1cc(NNC(=O)[C@H](C)c2c(Cl)cccc2Cl)ccc1Cl	790178337	ZSJDCJLYFQFQSJ-SECBINFHSA-N	373.667	4.902	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(Oc2ccncc2)c1	791726352	GQYOLWKIKJWKFV-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNc2ncccc2C)c1C	792331502	MRAUJMBPIZNBHT-UHFFFAOYSA-N	356.470	4.552	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)s1)C(=O)[C@@H]1CCCOC1	794884529	PYNLLVQJRKAHIV-MKRLJBPISA-N	357.862	4.971	50	20	FJGD	
Cc1cc(C(=O)NNc2ncccc2F)sc1-c1cccc(Cl)c1	804212257	MSXRSYLMSXWICP-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c(C)c1OC	806571026	CGLMIGPVOAUYQY-MHWRWJLKSA-N	363.442	4.595	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(O)cc(C(F)(F)F)c2)c(C)c1	811626067	BGVJWDUWTWNTKN-UUASQNMZSA-N	374.362	4.882	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1OC	812245382	RARZTNFJCTUFNY-QPEQYQDCSA-N	373.796	4.505	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1	836788196	PLNQOMXLQAMKQE-CYBMUJFWSA-N	350.384	4.980	50	20	FJGD	
NC[C@@H]1CC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189529	HZLVZBCHSGOFHO-KOLCDFICSA-N	359.364	4.593	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1[C@H]2CCNC[C@H]1CC2	841191418	ZIGCLDNOWWPGPZ-VXGBXAGGSA-N	371.375	4.702	50	20	FJGD	
CC(C)c1nc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)cs1	846378370	AKPPCKGKLKAQMU-UHFFFAOYSA-N	363.792	4.696	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1C	914484133	ALWLDZWQFRNPAT-VYZAVGSRSA-N	374.488	4.561	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3cc4c(s3)CCC4)c(Cl)nc12	916315110	HISFZRMXJCUQHV-UHFFFAOYSA-N	369.877	4.511	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cnc3ccccc32)cc1)C(=O)Nc1ccccc1	917597850	SOTQNAVSCGVZKB-JXAWBTAJSA-N	364.408	4.571	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	6209973	JFYSOUHOXYKCRG-XSFVSMFZSA-N	368.392	4.597	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2ccc(OC(F)F)cc2OC(F)F)n1	8079471	CHORIPDXKBJNER-ONNFQVAWSA-N	358.316	4.719	50	20	FJGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)Nc1ccccc1Oc1ccccc1	14177384	NGHGVFWNIMPYEA-XMHGGMMESA-N	365.392	4.896	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(F)c2)cc1	16881240	CLFOYJQZXVEEGH-SWEABUAFSA-N	352.409	4.893	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cnc(-c2ccccc2Cl)s1	120187166	FDGHNEGJOQRFJE-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1ccc(CSc2ccccc2)cc1	128488300	NJODACSEHOCMJM-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1ccsc1	183942829	IFIYYQLYTHNUTJ-LFYBBSHMSA-N	355.312	4.618	50	20	FJGD	
CCC[C@H](CC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193115214	AFEYBZZASYSTLY-JTQLQIEISA-N	374.375	4.977	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cncn2)cc1)c1nc2cc(Cl)ccc2s1	206858527	ZCNYMEHXGHVBJA-NTUHNPAUSA-N	363.833	4.595	50	20	FJGD	
CCCn1c(C)cc(/C=C(C#N)/C(O)=N/c2cc(C)nc(C(C)C)n2)c1C	208071063	PZCHFKPPFJDZMB-WOJGMQOQSA-N	365.481	4.932	50	20	FJGD	
Cc1cc2occ(CC(=O)NNc3ccccc3C(F)(F)F)c2cc1C	301219316	ZPFJGEOJXOTJKC-UHFFFAOYSA-N	362.351	4.754	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1cc(Cl)ccc1Cl	734514274	IAAHTXWLAGDVMD-UHFFFAOYSA-N	350.127	4.559	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@H](SC)C2)c1C	735264389	LBRZURIVGJFEAB-FRKBIFFFSA-N	373.566	4.602	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1	748089061	MSZBGNZMAABIHL-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1cc(Cl)ccc1OC1CCCC1	749530160	GVCBSCVDTJKOLI-UHFFFAOYSA-N	366.795	4.697	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cnc(-c2ccccc2Cl)s1	771713561	IWJVMIIAWQVYTD-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(Cl)c(OC(F)F)c1	775722102	DSSOCYAFCASSCQ-UHFFFAOYSA-N	362.163	4.743	50	20	FJGD	
CCC(CC)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777844351	HDMWWVSDEHIORU-UHFFFAOYSA-N	353.378	4.811	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(Cl)s1)O[C@H](C)C2	783688071	RQDQZVMFNDAVJR-KUKWCLJQSA-N	359.834	4.523	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1c(C)cccc1C)=C\c1cccc([N+](=O)[O-])c1	787168616	KWJFXSVPYWLFJV-RZTVDGLLSA-N	361.401	4.704	50	20	FJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc(C2CCC2)c1	798982493	KLRNRDUTANHDQA-UHFFFAOYSA-N	364.367	4.652	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccsc2)c(C)n1CC(C)C	801017440	XVKDJBUVIUPIEW-OMPOGXFXSA-N	355.507	4.607	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc([C@H]2CCOC2)cc1	818731061	OAJSCHJAXSNXKV-DOTOQJQBSA-N	351.537	4.843	50	20	FJGD	
CCOc1ccc(NNC(=O)Nc2ccc(COC(C)(C)C)cc2)cc1	836453209	TVUHIPOWSSCJQX-UHFFFAOYSA-N	357.454	4.549	50	20	FJGD	
CC1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCNCC1	841191303	XXKZAPGIDIHSDI-UHFFFAOYSA-N	373.391	4.855	50	20	FJGD	
CC[C@H](NC[C@H](CBr)C1CC1)c1nc(C(F)(F)F)cs1	859247991	HIICEIFKTNYCBF-UWVGGRQHSA-N	371.266	4.624	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)Cc1ccc(F)cc1	917211546	DQINLSGVQCDKLW-UHFFFAOYSA-N	352.409	4.607	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OC	6427313	QWHKPZWPBHAILY-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C	10404451	LPNMAOWHJSDPBE-FBJMNJBLSA-N	371.868	4.511	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2sccc2C)c1OC(F)F	55040816	YBIVZTCHAIXNFG-UKTHLTGXSA-N	363.385	4.847	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(O[C@@H](C)C#N)cc3)c[nH]c2c1	171541255	GFSYOJKJVXJOOB-ADFUCPMPSA-N	355.397	4.557	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(-c2ccccc2)nc1C	181315950	QYMQFTKYIMNTAU-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193093293	DZINFDQEBXMYDB-UWVGGRQHSA-N	374.375	4.833	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(C)cc2)c1Cl	726430571	UOQAWHZWLDIZSQ-FBJMNJBLSA-N	355.869	4.724	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	733362083	MXJVIBYARLPFDW-GHMZBOCLSA-N	357.187	4.518	50	20	FJGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	735009893	QVKDOIVZVJYEFS-GFCCVEGCSA-N	359.297	4.751	50	20	FJGD	
CC[C@@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	735310883	FPCLLZFGTFNJOT-HXUWFJFHSA-N	355.462	4.513	50	20	FJGD	
CCCOc1ccc(CCC(=O)NNc2cccc(C(F)(F)F)c2)cc1	743300040	XPWKCSFQUMCCJP-UHFFFAOYSA-N	366.383	4.570	50	20	FJGD	
COc1ccccc1[C@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	767983214	LHJSWBGCYZFPFY-ZBFHGGJFSA-N	368.315	4.558	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(Cc2cccnc2)CC1	770878189	WXIGYSSZKNFXBO-SFHVURJKSA-N	364.580	4.577	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cnc1Cl	773145457	SAEHIVCFTICWBA-XGICHPGQSA-N	368.717	4.991	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)ccc1OCC#N	788327652	KOKZIDZVMDJRFM-YBEGLDIGSA-N	374.421	4.602	50	20	FJGD	
COc1cc(NNC(=O)Nc2cccc(SC(F)F)c2)ccc1Cl	788595881	GLGJENLNJFMAKT-UHFFFAOYSA-N	373.812	4.812	50	20	FJGD	
CC[C@H](C)n1nc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1C	792358738	BRLPIYLRNJUFGP-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Br)ccc1Cl	799757739	HWKFVEQTKBOOKS-UHFFFAOYSA-N	367.674	4.730	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1	817908742	MPXAPTDHDGVJAW-UHFFFAOYSA-N	355.482	4.766	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccc(F)c(Cl)c1	863081384	IGSGJLQKCWDZKS-UHFFFAOYSA-N	350.821	4.551	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1	912988788	DNSGCPKIEPWOFX-STZFKDTASA-N	362.473	4.774	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)C(=O)c1ccsc1	1317852371	HSAQECLCSXBPKS-WZUFQYTHSA-N	371.311	4.741	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc([C@@H]3CCCCO3)o2)c(C)n1CCC(C)C	1326123937	QVMRMBVXQKTXJH-GQEMFKIVSA-N	368.481	4.840	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)CC1	1776779160	ZXGJOPLQBBJMBS-BOPFTXTBSA-N	357.425	4.997	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)cc1	35240565	PPOQGDOWMRAFEC-VKAVYKQESA-N	358.397	4.891	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	132441157	WURHTECYSJACIU-GDNBJRDFSA-N	374.412	4.693	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccsc1	194163590	XFZPKRYMCQVVTJ-UHFFFAOYSA-N	372.340	4.983	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)n1	212543562	CFBUNWJPGYEHOG-PXNMLYILSA-N	364.430	4.831	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cs2)c1	255154096	OAAJOEHIPINTHR-DHDCSXOGSA-N	363.398	4.791	50	20	FJGD	
Cc1nnc([C@@H](C)NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[nH]1	287359563	ZZGFJFJLRVTTDZ-SSDOTTSWSA-N	371.335	4.653	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1cc(F)ccc1Br	728436217	NMWUTRHRBJIFFC-VXGBXAGGSA-N	367.262	4.664	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	728785330	AONXQNTUNQKHPK-GZTJUZNOSA-N	366.424	4.965	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1OCC(C)C	729820426	QRHWYCDFADZZMG-SXGWCWSVSA-N	355.459	4.890	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)C(=O)c3ccc(F)cc3)c2C)cc1	730589899	WHBCWHSISXAKPB-NDENLUEZSA-N	373.431	4.786	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	735698745	UPHUPKHZRCVQTA-UWVGGRQHSA-N	357.187	4.518	50	20	FJGD	
CCCOc1c(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cccc1OCC	741468506	HLWLMJGDRCPOCI-VBKFSLOCSA-N	362.433	4.518	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@H]3C(C)C)s2)cc1	747751871	RRHBQWCBMZOECO-HNNXBMFYSA-N	371.506	4.548	50	20	FJGD	
Cn1cc(C(=O)NNc2ccc(Cl)cc2Cl)c(C2CCCCC2)n1	748008609	ZZSNZLFBAYBSPN-UHFFFAOYSA-N	367.280	4.532	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC	749449959	ATQCOBFKYQUGMF-YAJBTMAUSA-N	364.445	4.727	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3cc(Cl)ccc3Cl)c(C)c2c1	752813165	QVMISSOWHBWEFK-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1C#N	766289629	OZFYGJYJFMXSLQ-VGOFMYFVSA-N	356.212	4.719	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3ccc(Cl)cc3F)sc2c1	788691633	ZOKHNZRVZQXBLR-POHAHGRESA-N	372.808	4.887	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccccc1C(F)(F)F	806373240	XTXJBQOGTRTCIR-CYBMUJFWSA-N	373.378	4.576	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cccc(C(F)(F)F)c1	839424446	PCVFYWPUMJJDCZ-UHFFFAOYSA-N	356.347	4.551	50	20	FJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C2CC2)cs1	864095981	RGDGICLIBLXHJH-WZUFQYTHSA-N	363.345	4.594	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)C2CC2)c(C)n1C1CCCCC1	875158678	YUOWFCQRQHWZFK-UOEVCUDDSA-N	353.510	4.774	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c(C)c1	916481140	AVGYJAFVVNYWBA-AWEZNQCLSA-N	363.408	4.601	50	20	FJGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1c(F)cccc1F	918102588	YMJXPJLGDSJBQA-QMMMGPOBSA-N	360.191	4.659	50	20	FJGD	
Cc1cc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)o1	1318032822	QYUYRRNTOCODRZ-UWSDUSPXSA-N	367.493	4.755	50	20	FJGD	
C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CCC)CCC2)cc1	1791240615	GRXZKOCBBKUXEU-MLHRZWGQSA-N	374.912	4.660	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(C2CC2)nc2ccccc12	132432468	BMKDVZZIAIEBKI-UHFFFAOYSA-N	373.243	4.571	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(F)c4cccnc34)c[nH]c2c1	164649452	YUBACFUTYDIEJD-XNTDXEJSSA-N	355.372	4.954	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	182051520	SNAGNGYTZCXRRG-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
CN(Cc1nc2ccccc2s1)C(=O)CCCC[C@@H]1CCSS1	248102711	IANFUJSUDOJCMQ-CYBMUJFWSA-N	366.577	4.969	50	20	FJGD	
CCSCc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	727759101	QXUJJVGWOKCETJ-UHFFFAOYSA-N	354.397	4.715	50	20	FJGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)s1	731155515	IYNDBAQBCQCYAE-XYOKQWHBSA-N	360.866	4.827	50	20	FJGD	
Cc1ccc(C)c(Oc2cccc(Cl)c2C=NNC(=O)C2CC2)c1C	734743617	BDFBEMCRQSFYRR-UHFFFAOYSA-N	356.853	4.918	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccc4c3OC(C)(C)C4)c[nH]c2c1	737444434	RMKUDYLTMMCAHL-LICLKQGHSA-N	356.425	4.980	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OC(F)F)cc1C	742346235	IDJOHFCUDNZCEB-NTEUORMPSA-N	360.335	4.590	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(c2cccs2)CCCCC1	748656649	ZUSLOLYRBUMBTJ-UHFFFAOYSA-N	366.433	4.695	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccnc(Cl)c2)c1C	750632807	XQCUVIXPCLGRKG-WOJGMQOQSA-N	371.868	4.604	50	20	FJGD	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)/C(=C/C#N)c1ccc(F)cc1	750795153	NLBYSDBUXRPEHF-ZUDJBQOZSA-N	350.437	4.790	50	20	FJGD	
N#C/C(=C\c1ccc(Br)c(Cl)c1)C(=O)Nc1ccccc1	754829903	ZNRVAQFUBZRTKA-XYOKQWHBSA-N	361.626	4.648	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1scnc1C1CCCC1	760163679	KXJHHYAHEAHPGE-UHFFFAOYSA-N	372.881	4.759	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1COc2ccc(Cl)cc21	762192439	RMJDVDYGQNJPHP-JSGCOSHPSA-N	357.928	4.604	50	20	FJGD	
O=C(NN=CC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1F	767386688	UFVJNWSZLKKZCE-UHFFFAOYSA-N	350.743	4.563	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F)c1ccccc1	771838685	AFFDSABGJFMWDX-KMHUVPDISA-N	362.326	4.629	50	20	FJGD	
C[C@H](C(=O)NNc1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1	777462177	BHJJXTYYRLVZPJ-NSHDSACASA-N	360.244	4.788	50	20	FJGD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCCC[C@H]1CCSS1	780757354	WSAWAWAXVDVHPG-UPJWGTAASA-N	355.491	4.890	50	20	FJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3ccnc(F)c3)c2c1	781365610	YPOYFFGOOFNLQQ-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)c2cnc3ccccc3n2)c1Cl	790231887	ZOXGLLAIOWYPGQ-UVTDQMKNSA-N	351.841	4.652	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c2cccnc12	791732430	DKOFPKNBNFQICN-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1csc2c1CCCC2	792872472	JWSGFYBWYWUGCW-UHFFFAOYSA-N	357.866	4.585	50	20	FJGD	
CC1=NO[C@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	879139477	YITKEERKEZOKNA-JTQLQIEISA-N	359.320	4.630	50	20	FJGD	
COC(=O)c1cc(NC(=O)CCCC[C@@H]2CCSS2)ccc1Cl	913151565	NKRZFIILHNKGJK-GFCCVEGCSA-N	373.927	4.779	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1	915991132	VRLKJHXHFGGRRS-ATVHPVEESA-N	359.404	4.810	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2Br)cc1	916324455	FLZVDHQRGIWMOP-UHFFFAOYSA-N	359.267	4.511	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)c1ccc2ncccc2c1	1116890529	YBIFZDQEKABLRC-ZHZULCJRSA-N	353.425	4.625	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1	112968062	KMIVSFABQPKCMR-XGICHPGQSA-N	354.416	4.547	50	20	FJGD	
COC(=O)c1occc1/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1	115358200	SMFIFGFSZPPPMM-OQLLNIDSSA-N	350.399	4.562	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cccc(OCc2cccs2)c1	120243420	ONPKNUNMEOZQRL-UHFFFAOYSA-N	358.850	4.737	50	20	FJGD	
CN(CCC1CC1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183591183	ZAWQSEZAWQCZBE-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)C(=O)Nc1ccc(F)cc1	209258431	BPKNIEZNLYLTQO-KPKJPENVSA-N	355.419	4.556	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC(F)(F)F)c2)c1C	727976445	VCYGWKKBJRCSAF-DHDCSXOGSA-N	360.335	4.748	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1F	739424272	HNGNBQRYEFLERJ-ATVHPVEESA-N	362.408	4.786	50	20	FJGD	
Cn1c(C(=O)NNc2cccc(Cl)c2)cc2cc(C(F)(F)F)ccc21	742516961	SDWXXPWRCZKEDT-UHFFFAOYSA-N	367.758	4.607	50	20	FJGD	
CN(C)Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1F	754871389	HTGLAZUKZFVHJD-HNNXBMFYSA-N	356.532	4.540	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)cc1	776472987	CWXLGTCSJMGGLP-UHFFFAOYSA-N	350.418	4.836	50	20	FJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3ncccc3Cl)o2)c1	776476493	MRWFFALDJIHRML-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)CCCCC(=O)c1ccc(F)cc1	799755767	JGDDRZYUGDESDD-UHFFFAOYSA-N	356.441	4.583	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	811627241	WMVYUIULILDGMG-WMZJFQQLSA-N	351.145	4.593	50	20	FJGD	
C[C@H](Cc1cnccn1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	834743645	FRARJDLAFICIJJ-QMTHXVAHSA-N	361.820	4.739	50	20	FJGD	
C[C@H]1c2ccccc2OCCN1C(=O)CCCC[C@@H]1CCSS1	856487143	PGPMFLPZSJEVAZ-LSDHHAIUSA-N	351.537	4.683	50	20	FJGD	
CC(=O)c1c(C)cc(C)c(COC(=O)/C(C#N)=C/c2ccc(C)cc2)c1C	913228998	UTAWKXYUMWYKLP-RGVLZGJSSA-N	361.441	4.773	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccoc2)c1C	918664460	DMPREUOEEKIPIB-MTJSOVHGSA-N	373.456	4.561	50	20	FJGD	
C[S@](=O)C1(CNCc2cccc(S(F)(F)(F)(F)F)c2)CCC1	922094507	OGAPTUSGXLYSAY-NRFANRHFSA-N	363.417	4.735	50	20	FJGD	
C[C@H]1C(=O)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	930844497	BWQUWAKNWCATCE-VIFPVBQESA-N	358.332	4.929	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1	1342842227	LKPYWALWDOEZJR-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	98125353	YDLSSPLFVZOGDA-VCHYOVAHSA-N	371.421	4.533	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1c[nH]cc1-c1ccc(F)cc1	132971358	VUXJAJJOIRQJKH-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
CCn1nc(C)c(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C	171046043	YGXWCACQPDTGDV-MHWRWJLKSA-N	364.474	4.716	50	20	FJGD	
Cc1ccccc1NNC(=O)c1oc2ccc(Br)cc2c1C	192732389	QGVQZAKBPNMBGW-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1OC(F)F	211443110	QNORZJQEPYJPSF-PTNGSMBKSA-N	372.371	4.541	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC([C@@H]2CCOC2)C1	370486652	YZMHXXACKZMTBC-SNVBAGLBSA-N	372.359	4.844	50	20	FJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccc(COc2ccccc2)o1	727254203	RDLPXJRMUPLWNS-INIZCTEOSA-N	354.450	4.935	50	20	FJGD	
CCCC1CCC(=NNC(=O)c2cc(OC)ccc2Br)CC1	728432644	UPAOCCSLMCEXGV-UHFFFAOYSA-N	367.287	4.534	50	20	FJGD	
O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cccc2ncccc12	730146113	GMAAYVAJOIGNEF-UHFFFAOYSA-N	367.408	4.791	50	20	FJGD	
CO[C@@](C)(C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	730158047	ZVJXFCFJAUMKPG-MRXNPFEDSA-N	373.667	4.652	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1C	730259870	FUZAKFSBBUHUSC-KPKJPENVSA-N	369.421	4.621	50	20	FJGD	
CCOC(=O)/C(C#N)=C\N[C@@H](c1ccc(C(C)C)cc1)c1cccs1	730985440	RABGRZIBAQADLN-LYDJUCFBSA-N	354.475	4.521	50	20	FJGD	
CC[C@H](C)[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	735035263	NQUWPAMMRWXBCS-YVEFUNNKSA-N	361.829	4.521	50	20	FJGD	
Cc1ccc(OC[C@@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1	742434144	ZLPRWUSHJCMTEW-WBVHZDCISA-N	353.553	4.593	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2csc(Cc3ccccc3F)n2)c(C)c1	743762397	TXILINKZOCZWSJ-UHFFFAOYSA-N	369.465	4.555	50	20	FJGD	
CC(C)(C)C[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1ccc(Cl)cc1	745838149	GXZWERIJSYMKEZ-AWEZNQCLSA-N	369.893	4.556	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCC(N2CCCCC2)CC1	750856634	WFEGCDCDKHDMCL-DAWZGUTISA-N	370.628	4.614	50	20	FJGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1ccc(COc2ccccc2)o1	764666559	MLGSWVJLFIGUDD-SFHVURJKSA-N	354.450	4.791	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21	767232625	XHHYBVHNTGJVKG-INIZCTEOSA-N	359.901	4.529	50	20	FJGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3cc(Cl)cc(Cl)c3)n2c1	771859654	OMDZMVLZPXGJDJ-MLPAPPSSSA-N	356.212	4.739	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)C1CCCC1	781552942	GRRGYEKDLVTBHX-RVDMUPIBSA-N	352.415	4.990	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1)c1ccccc1	787179289	PMFVCVGIRIUDJD-UBXANZILSA-N	371.440	4.825	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cc1	788361712	CKWOIHCNRVFALT-AYCSXLNKSA-N	358.422	4.982	50	20	FJGD	
CC(=NNC(=O)c1ccc2ccccc2n1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788409347	SUPFPTCRQODBBF-UONOGXRCSA-N	369.877	4.859	50	20	FJGD	
CCCc1sc(C(=O)NNc2ccc(Cl)c(OC)c2)cc1CC	790188891	MDXPVHOYXMSNDS-UHFFFAOYSA-N	352.887	4.682	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)c1ccc2ncccc2c1	794885746	VVUUQRLLZWPVPO-RQZCQDPDSA-N	360.800	4.613	50	20	FJGD	
COc1cc(NNC(=O)c2sc3cc(F)ccc3c2C)ccc1Cl	807436527	IIJFFFIDPGMVIU-UHFFFAOYSA-N	364.829	4.768	50	20	FJGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1cc2ccccc2o1	814867222	VFTJNIJDXSTUGJ-UZLBHIALSA-N	362.429	4.501	50	20	FJGD	
Cc1nn(C)c(C)c1CNCc1cccc(S(F)(F)(F)(F)F)c1	840975128	LEHAGZZRMUAUIX-UHFFFAOYSA-N	355.376	4.984	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)C1(c2ccc(Cl)cc2)CCCC1	876992569	GRBZYTZIYJOPOP-UHFFFAOYSA-N	350.796	4.573	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCOC2(CCC2)C1	887901471	DYPCNYIXIQOJSH-INIZCTEOSA-N	358.507	4.672	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)C(=O)c1ccc(F)cc1	915988083	PQWBAQWXOFWDCW-UNOMPAQXSA-N	358.372	4.590	50	20	FJGD	
CC(C)(C)ONC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	1116932780	VFINEYLYGIQEBM-SNVBAGLBSA-N	356.797	4.758	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3csc4ccc(C(=O)O)cc34)[nH]c12	1777448270	LRCHGIUEFGRGIK-QPEQYQDCSA-N	359.410	4.848	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1	5155498	ULAVESDHOJYGRO-MDWZMJQESA-N	365.776	4.828	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)c1nc(-c2ccncc2)cs1	63412573	RJPKHTGGRUQQIZ-ZROIWOOFSA-N	355.369	4.871	50	20	FJGD	
Cc1ncc(/C=C\C(=O)NNc2c(Cl)cc(Cl)cc2Cl)s1	255033703	FSWSCTLLDCFNEL-IHWYPQMZSA-N	362.669	4.568	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1ccc(-c2nc3ccccc3o2)cc1	726873486	KXEOCUYJCVGAJD-UHFFFAOYSA-N	362.364	4.783	50	20	FJGD	
O=C(NNc1ccc(F)cc1)[C@H](Sc1ccc(F)cc1)c1ccccc1	730208448	KGYHIIMXPWEHMI-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
Cc1cc(NNC(=O)c2c[nH]cc2-c2ccccc2)ccc1Br	734251697	XWTAUNDUMKRGKU-UHFFFAOYSA-N	370.250	4.510	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(-c3ccc(F)cc3)n2C)c(C)c1	743765536	VGNRDWQIEMQRSG-UHFFFAOYSA-N	351.425	4.513	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2c(F)cccc2F)C1	767085042	YGQLNHSOPVTQMT-HUUCEWRRSA-N	354.441	4.564	50	20	FJGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cn1	773153729	WUPNFMZRHFXPQY-MLPAPPSSSA-N	365.330	4.586	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)ccc1[N+](=O)[O-]	774561860	QYCPDVUTDNCRDP-NVNXTCNLSA-N	374.343	4.886	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1F)c1cnc2ccccc2n1	790228125	QEYRPDTUWMWBPG-GHXNOFRVSA-N	354.182	4.596	50	20	FJGD	
CCc1c(C(=O)NNc2cc(Cl)ccc2Cl)cnn1C(CC)CC	790804602	OKNGAUHMSUWUMC-UHFFFAOYSA-N	369.296	4.870	50	20	FJGD	
CSSCCNC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1	790880235	SROZCNJAVBURTD-CQSZACIVSA-N	372.968	4.801	50	20	FJGD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)CCCC[C@H]2CCSS2)cc1	798008335	KQHRUIAJAQXOEB-OKZBNKHCSA-N	365.564	4.772	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12	811627248	WNWGOCIRBLVPRB-XGICHPGQSA-N	356.303	4.682	50	20	FJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)s1	914702483	HSEFXYYYMVDEPU-ZMTLZGASSA-N	361.850	4.554	50	20	FJGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3ccc(Cl)cc3Cl)c2c1	1320056237	QQFVPOPTTAXBES-UHFFFAOYSA-N	364.232	4.549	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(/C=C\C(=O)O)o2)CC1	1776779072	NEIUDJTURUUUCD-YHGSYESTSA-N	355.434	4.850	50	20	FJGD	
CCc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1	35155461	KKNQELSJCRHJNS-PTNGSMBKSA-N	361.470	4.902	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC	57770342	QEMLPWOUGMWNFG-YBEGLDIGSA-N	351.377	4.579	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cnc(-c4ccccc4)nc3)c[nH]c2c1	63413100	ALDRPKDQBRAYAW-VCHYOVAHSA-N	364.408	4.723	50	20	FJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3cccc(C)c3)cc2)cc1	89689515	XVMDHKOOMKNWBX-UHFFFAOYSA-N	360.413	4.747	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1	181139973	JTNOMOIEAIBLSQ-UHFFFAOYSA-N	354.498	4.570	50	20	FJGD	
CC(C)CC(=O)NCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186086286	JOTPMOXXTXXXEO-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)C(=O)c1cccc(F)c1	193163578	OIXIMKJRLWFMOB-UNOMPAQXSA-N	358.372	4.590	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)c3cccc(F)c3)c(Cl)nc21	194530687	UMCMEIDLXHWYMB-MKMNVTDBSA-N	368.799	4.595	50	20	FJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	205666106	KCPDUSBIYRIBES-GZQZNAIASA-N	363.417	4.503	50	20	FJGD	
Cc1cc(C)cc(OCCNC(=O)CCCC[C@@H]2CCSS2)c1	302999935	MSNCWBMHRPEOCW-QGZVFWFLSA-N	353.553	4.513	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1OC	732715864	AWCICCWVTGCOKS-APVMCDBPSA-N	370.493	4.571	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1)C1CCCCC1	732715926	CTHBOWQIZIAMTK-LCYFTJDESA-N	368.811	4.639	50	20	FJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNc3ccccc3)cc2)cs1	734268499	RBONOVCOGLJGTD-ZDUSSCGKSA-N	352.463	4.506	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)s2)cc1	734306256	NQEZPRHPGJAZMV-HIHUVZAKSA-N	365.502	4.720	50	20	FJGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNc1cc(F)c(F)cc1F	734555296	YPLBIGXMPJUNGI-KRWDZBQOSA-N	368.424	4.505	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)cc1	741840438	USYCMGSRUJTELZ-KAMYIIQDSA-N	350.349	4.516	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(F)cc1C)c1ccc(C(F)(F)F)cc1	748549314	KGLPLLAYJZUCAO-KHPPLWFESA-N	352.331	4.700	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc2c(Cl)c(Cl)ccc2[nH]1	748767407	RDFOPUYRBXAKPG-UHFFFAOYSA-N	371.227	4.780	50	20	FJGD	
CCC(=O)c1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)ccc1F	768011096	JBEQIBIEQKTIHM-UHFFFAOYSA-N	373.186	4.621	50	20	FJGD	
CCSc1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1	769743899	RGVDFCIWRMEICD-BOPFTXTBSA-N	363.891	4.790	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccccc1CCC(F)(F)F	770198155	KNHDNSFGFTXODM-UHFFFAOYSA-N	360.738	4.731	50	20	FJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNc3c(F)cccc3Cl)c2)n1	771179768	PDLMXNYFBKEQBL-UHFFFAOYSA-N	374.803	4.900	50	20	FJGD	
CCCCCOc1ccc(C(=O)NNc2ccc(Cl)c(OC)c2)cc1	790187722	SCHBYSLGKPKUPC-UHFFFAOYSA-N	362.857	4.675	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c(Cl)c1	797034728	DTEAXDHKOPMFIF-SXGWCWSVSA-N	354.837	4.820	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(F)ccc(Br)c1F	799892238	YZJDZXIPGAYFGB-RMKNXTFCSA-N	368.202	4.887	50	20	FJGD	
C[C@]1(CN)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190529	QPYGZJOQPPXRHG-CYBMUJFWSA-N	359.364	4.547	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3cnccc23)c(C)n1CC(C)C	875862991	AWXZKXIBRTZVFB-JAIQZWGSSA-N	372.472	4.855	50	20	FJGD	
Cc1ccccc1C=NNC(=O)c1ccc(NN=Cc2ccccc2C)cc1	915903537	ZISCHNICCBDREU-UHFFFAOYSA-N	370.456	4.513	50	20	FJGD	
COc1cc(C(=O)NN=C(C)C2CCCCC2)ccc1OCCC(C)C	916348867	OPZUGLGKVNVUHN-UHFFFAOYSA-N	360.498	4.806	50	20	FJGD	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(CCl)c1	1335741993	SFNXNDHWVAKZJI-VQTJNVASSA-N	357.881	4.665	50	20	FJGD	
CC(C)CCC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ccc(Cl)cc1	1776099615	PVFQCDGHVNNOMA-UHFFFAOYSA-N	372.852	4.609	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H](C(=O)O)C2CCCC2)c1	1776270388	UWLJIQBNCHMVSM-GOSISDBHSA-N	363.574	4.804	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c1	103348715	HVMFWLDCBBZIKX-ODLFYWEKSA-N	370.456	4.856	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ncccc3Cl)c(F)c2)cc1	114883074	OESKWOIZUGWOGT-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)ccc1OC(F)F	171389938	RCFNYZBVFXJUBO-OQLLNIDSSA-N	357.356	4.703	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1OC(F)F	255327270	RTQJBGXMAQHVQS-UKTHLTGXSA-N	363.385	4.847	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1F	727654647	PPCGPASYCOSHFA-LCYFTJDESA-N	356.351	4.701	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1cc(F)ccc1Br	728436211	NMWUTRHRBJIFFC-NWDGAFQWSA-N	367.262	4.664	50	20	FJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccc2ccccc2c1	730569608	BDZJTHJPQUKJAL-UHFFFAOYSA-N	371.465	4.656	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccc3ccccc3n2)o1	734296401	QYNLYKATEYEFAD-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1C1CC1	751128994	ACHLPMXCBKPFQB-INIZCTEOSA-N	358.441	4.635	50	20	FJGD	
CC(C)c1ncc(Cl)c(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)n1	757421289	HQOMEJGBLQTFQJ-UHFFFAOYSA-N	371.780	4.534	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc[nH]2)c1C	760729988	LLGSNEPCFYNMDZ-NNIWKIFQSA-N	372.472	4.515	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)c(F)c2)cc1	764886824	UAFVDNCHSHWYAJ-OVCLIPMQSA-N	363.310	4.865	50	20	FJGD	
COc1ccc(Cl)cc1C(=O)NNc1c(Cl)cc(F)cc1Cl	767396487	RGLMEJIPXGXFJP-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc2nc(C3CC3)oc2c1	771174119	HFSDVPAWOQQLRN-UHFFFAOYSA-N	360.776	4.646	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(Cl)cc1C(F)(F)F	771734925	KJYZIXINCWAKQT-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2c(F)cccc2F)c1	772818746	YKOHVIHDQMOMPF-UHFFFAOYSA-N	368.383	4.787	50	20	FJGD	
C=CCN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	773637482	DYNVCFHNLZJVRY-UHFFFAOYSA-N	372.359	4.706	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCc2c(Cl)cccc21	775781211	CDCQJWSYDJPPQZ-CQSZACIVSA-N	354.759	4.532	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc2ccccc2n1)c1c(Cl)cccc1Cl	777464366	KUHQYZBMRCBAAT-LLVKDONJSA-N	360.244	4.788	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ccccc1Oc1cccnc1	785346532	UYIKCAIQLIFRLH-UYRXBGFRSA-N	356.381	4.524	50	20	FJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)NCc1cccc(Cl)c1	786044351	KNGGHQJGIKIOOC-RGVLZGJSSA-N	373.843	4.625	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)c3cnc4ccccc4n3)cs2)cc1	790227369	GXGHBSQVIWSYGO-GDNBJRDFSA-N	370.437	4.826	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	812241138	DKDJHKYUMNXMHR-PXNMLYILSA-N	361.401	4.894	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)s1)c1ccc([N+](=O)[O-])cn1	812245532	TYJPZYAFMFTBBY-FMIVXFBMSA-N	351.362	4.922	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)CC(=O)c1ccccc1F	812766644	UBQFWJLRMQLKIG-OAHLLOKOSA-N	356.441	4.610	50	20	FJGD	
Cc1csc([C@H](NC(=O)NNc2c(C)cccc2C(C)C)C2CC2)n1	813085340	ZZIGCEMMWJHNGF-QGZVFWFLSA-N	358.511	4.661	50	20	FJGD	
O=C(NOC1CCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	836256286	ODPSUTSWSVHHAX-NSHDSACASA-N	354.781	4.512	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1CCC(C)C	877510157	VPVIZOUTSZROAA-PDGQHHTCSA-N	353.441	4.836	50	20	FJGD	
N#C/C(=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)c1ccccc1	915981540	SEUZWHQDKNCYBM-FOWTUZBSSA-N	367.330	4.681	50	20	FJGD	
Cc1cccc(OC[C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)c1	919696961	ZNOTZGBUMHONLD-NVXWUHKLSA-N	353.553	4.593	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(Cc3cccs3)o2)c(C)n1CC(C)C	1326080355	KTKGWYRJKZFWFJ-MFOYZWKCSA-N	366.490	4.860	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F	1339432191	BKWCLWGXJIYUHQ-QVIVLVACSA-N	359.319	4.802	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1OC(F)F	11297484	IJUGALRTIBQTGX-MDWZMJQESA-N	363.747	4.740	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2cccc(C(F)(F)F)c2)c1C1CC1	89687612	SNNIQKPUTABICJ-LLVKDONJSA-N	366.387	4.507	50	20	FJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)Nc1ccc(F)c(Cl)c1	109707551	RKLQHRHOBCKDHI-MDWZMJQESA-N	367.767	4.680	50	20	FJGD	
C[C@@H](Sc1cccc(C#N)c1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	177097103	LRCKVACURWOGOY-RILUTCLRSA-N	363.467	4.561	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cnccc3C)c2C)c1	729404716	ODRCPDWLQUVIEY-NDENLUEZSA-N	370.456	4.652	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	748769136	CCKOQIJGKPETDW-HUUCEWRRSA-N	372.255	4.788	50	20	FJGD	
CC(C)(C)OCc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	752525835	CURLYZLYXRTXTR-ATVHPVEESA-N	352.409	4.686	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)c1nc(-c2ccc(C#N)cc2)cs1	759077116	QEDCFGGLWVWWNJ-LFYBBSHMSA-N	354.847	4.856	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	759116183	MIDQWUXURRNEPL-YBEGLDIGSA-N	369.262	4.920	50	20	FJGD	
COc1ccc(C[C@H](C)CNC(=O)CCCC[C@@H]2CCSS2)cc1	759870467	UKTMXDABJIEIIM-MAUKXSAKSA-N	367.580	4.704	50	20	FJGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1c(Cl)cccc1Cl	763615987	MDLKBLHBEFCBEY-CMDGGOBGSA-N	364.257	4.760	50	20	FJGD	
Cc1oc(-c2ccccc2)nc1COC(=O)[C@@H](Br)C(C)(C)C	766749630	CQJBYHDUYJWCPA-CQSZACIVSA-N	366.255	4.503	50	20	FJGD	
CCCCN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777850331	VKMAMNLDDMRGPX-UHFFFAOYSA-N	353.378	4.765	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CCC[C@H](C(F)(F)F)C1	783512219	WMSPQGIOMWNYPJ-JTQLQIEISA-N	364.820	4.657	50	20	FJGD	
COc1cc(NNC(=O)/C=C(/C)c2ccccc2Cl)ccc1Cl	790169977	FQVATCQFOHAMQQ-LUAWRHEFSA-N	351.233	4.549	50	20	FJGD	
O=C(CCc1cncnc1)Nc1cccc(S(F)(F)(F)(F)F)c1	794413964	IHYKEGAXPOTWNQ-UHFFFAOYSA-N	353.316	4.705	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2oc(C(C)C)nc2C)c1C	813227671	OVVXMCARDCBUAX-VCHYOVAHSA-N	369.465	4.585	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Cn2nc(C3CC3)ccc2=O)cc1	853698011	XXVWBKUUNCSGOS-UHFFFAOYSA-N	370.569	4.691	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccsc2)ccc1OCC(C)C	915990311	ZXCPIKORNXJLLH-MFOYZWKCSA-N	355.459	4.971	50	20	FJGD	
COc1nc(Cl)c(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)n1C	1116005076	OTIPUZZRGFFLKC-MDWZMJQESA-N	370.865	4.578	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccc(-c3ccccn3)c2C)cc1Cl	1324433754	RABHAVVBLSMSSS-UHFFFAOYSA-N	351.837	4.776	50	20	FJGD	
O=C(NNc1ccccc1Br)c1ccc(Cl)cc1Cl	153495527	VSRBFRLVPCBXNH-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCOC2(CCCCC2)C1	160570014	CGVBIVQWHITPDS-JKSUJKDBSA-N	357.585	4.699	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1)c1ccccc1	177610239	NZVJDKWCEMZMBR-LERPTODRSA-N	365.483	4.656	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)ccc1OC	195090336	HOLGZDMJKXQKFK-LICLKQGHSA-N	374.440	4.811	50	20	FJGD	
O=C(Nc1cccc2[nH]ccc12)NN(Cc1ccccc1)c1ccccc1	729039342	VCEPLYZRLFBSQD-UHFFFAOYSA-N	356.429	4.911	50	20	FJGD	
Cc1cccc(-c2nc(CC(=O)NNc3c(C)cc(C)cc3C)cs2)c1	743764504	PHDHPZSMEOFILK-UHFFFAOYSA-N	365.502	4.730	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)oc2ccc(F)cc12	747589831	QYVYCNLMSGTSEL-UHFFFAOYSA-N	352.287	4.656	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(-c2ccccc2)ns1	748511666	LCWJRMLPIMSIHV-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1cc(C2CC2)nc2ccc(Cl)cc12	751388957	RMAMITVIRLOOPI-UHFFFAOYSA-N	373.790	4.801	50	20	FJGD	
Cc1ccnc(Oc2cc(NC(=O)NNc3cccc(C#N)c3)ccc2C)c1	770039496	AOZPZTVJWMBNLY-UHFFFAOYSA-N	373.416	4.511	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(Br)cc2Cl)ncn1	773150897	OQMSHEMWAHHRSE-ONNFQVAWSA-N	366.671	4.679	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N(Cc1ccco1)Cc1cccs1	781072927	VPFWLVKMJAKMHP-CQSZACIVSA-N	370.312	4.680	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)C1CCCC1	781554633	STMYEJRSWNMSAM-CFINBHSISA-N	359.853	4.564	50	20	FJGD	
N#C/C(=C/c1cc(Br)ccc1OC(F)F)C(=O)C1CCCC1	781555999	SXBMVDLKZKYZJX-GHXNOFRVSA-N	370.193	4.717	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(C2CCOCC2)cs1	804821418	XVPMGZPIIDZEGF-ZDUSSCGKSA-N	372.581	4.690	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H]2COc3c(Cl)cccc32)cc1	811483589	IMWXMVSZURSQQA-QGZVFWFLSA-N	352.261	4.571	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1	839890185	HGNKZHVJGVPHIF-AVGNSLFASA-N	371.371	4.577	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)C2CC2)c(C)n1C1CCCCC1	875158676	YUOWFCQRQHWZFK-RBYWHNRPSA-N	353.510	4.774	50	20	FJGD	
OCCN(Cc1cccnc1)Cc1cccc(S(F)(F)(F)(F)F)c1	891933791	UPXWXZJDQWVXPZ-UHFFFAOYSA-N	368.371	4.734	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccc(Br)c2)c1C	915856849	FKSIYJZDTUZAJY-YBEGLDIGSA-N	369.262	4.843	50	20	FJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)C(C)C)cc1	915991184	YWGIATBWJXWJDD-QGOAFFKASA-N	371.440	4.680	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CC[C@@](F)(C(=O)O)C2)c1	1776269096	JWUWXUGOZWONIX-BEFAXECRSA-N	367.537	4.506	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1C	170869622	JPBUGPFNEIHZQJ-NTEUORMPSA-N	362.260	4.977	50	20	FJGD	
N#C/C(=C\c1nccn1CC(F)(F)F)C(=O)c1c(Cl)cccc1Cl	208011199	RTIBVRPMXJGARR-RMKNXTFCSA-N	374.149	4.542	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)c1C	211575541	FEJQONHFMHEPFR-AQTBWJFISA-N	368.440	4.718	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	212131288	WOUFDEGWJXGIIQ-UYRXBGFRSA-N	372.424	4.793	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(F)ccc1Br	255489035	SDEKMYORUXXFDT-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC(C)(C)C1	303235324	ZENKLYHYBFEQIP-NWDGAFQWSA-N	371.308	4.607	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(OCCN3CCCC3)cc2)c1C	727655474	URIXWHDDBJBATN-LTGZKZEYSA-N	374.484	4.568	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(C)(C)c1ccc2ccccc2c1	741917886	CWSIAILLUBNSFQ-UHFFFAOYSA-N	365.385	4.640	50	20	FJGD	
CCCCCC(CCCCC)=NNC(=O)c1nnc(O)c2ccccc12	743427497	WAJYTHXFGJGTRN-UHFFFAOYSA-N	356.470	4.582	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1OC	750902806	XRUPQTCEYGPYIE-OVCLIPMQSA-N	371.820	4.546	50	20	FJGD	
COC[C@H]1CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981451	YOBRFMSZQTXRRO-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)ncn3C)cc1	761198994	AJPUWYXYYZDVCC-JQFNYASXSA-N	358.445	4.632	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c2ccccn12	762603079	ILAAIRJCSMVTIT-LFIBNONCSA-N	355.397	4.994	50	20	FJGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1Cl	766016426	WFXJJAVXFLRVPZ-UHFFFAOYSA-N	353.171	4.832	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(C)c(Cl)c1	766291383	YZOCXWORVDAWSE-OVCLIPMQSA-N	370.836	4.560	50	20	FJGD	
CC(C)c1nc2cc(NC(=O)NNc3nc4ccccc4s3)ccc2o1	770035368	LTBYIZSLCGKIOA-UHFFFAOYSA-N	367.434	4.710	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1	772171733	LPZRSMVBQSDBBW-BOPFTXTBSA-N	351.377	4.571	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	780375209	UOONPYPBNBNLHF-SFQUDFHCSA-N	369.342	4.897	50	20	FJGD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](Br)C(C)(C)C	781073789	PBVQBQMXIDOJLF-IAQYHMDHSA-N	352.272	4.762	50	20	FJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)c1ccccc1	790100925	JPDRCRPDBSBSBL-POHAHGRESA-N	352.640	4.954	50	20	FJGD	
Cc1cccc(NNC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1	800688957	TWOGMDMJBBROJD-UHFFFAOYSA-N	357.504	4.601	50	20	FJGD	
CN(C)Cc1ccc(NCc2ccc(OCCCCl)cc2)cc1F	811471266	LZIZZBGZWRNEDB-UHFFFAOYSA-N	350.865	4.507	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc2ccccc2[nH]1	811626559	JEKWXGZLWJWCEZ-BJMVGYQFSA-N	359.172	4.842	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1	817016298	OQDABIJZVULUDS-UHFFFAOYSA-N	354.275	4.543	50	20	FJGD	
CN(C[C@H]1CCCN1C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	817313000	JESSBSBYUOIIGS-GFCCVEGCSA-N	373.391	4.902	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)c1c[nH]c2cc(F)ccc12	915990103	IVMOGPZRZBPMAL-GHXNOFRVSA-N	369.193	4.859	50	20	FJGD	
O=C(/C=C/c1cccnc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558891	KEQCONANZYJRAV-MVGZEHJDSA-N	372.799	4.953	50	20	FJGD	
CCCCN(CC(F)(F)F)C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	918609484	PTQIYKUSVLFCCK-BOPFTXTBSA-N	369.431	4.613	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)sc1C	1116120111	REPYHXAADKMDKQ-DHDCSXOGSA-N	350.399	4.782	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(SC(F)(F)F)cc1	178497763	PSLANVUDWSEERW-UHFFFAOYSA-N	363.364	4.604	50	20	FJGD	
Cc1ccccc1NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1	192737241	UUOZCKYFSSNSED-UHFFFAOYSA-N	374.469	4.666	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2csc(C3CC3)n2)cc1	214015347	YNBGDGINPYRHSH-LFIBNONCSA-N	351.475	4.909	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	735698842	XRLJLSTXTIRZMW-MNOVXSKESA-N	357.187	4.518	50	20	FJGD	
O=C(NN=Cc1ccc(CSC(F)F)o1)c1cccc2ccccc12	741462711	MDIWGOIACDWGMV-UHFFFAOYSA-N	360.385	4.653	50	20	FJGD	
COCCN(C(=O)CCCC[C@@H]1CCSS1)[C@H](C)c1ccccc1	745941248	JGOYUCJGYLJXGH-SJLPKXTDSA-N	367.580	4.937	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(Br)cc2c1OCC2	764883554	AGZUQXGTSBKSRA-AWNIVKPZSA-N	374.259	4.544	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ccc(-c2ccsc2)cc1	768758491	VSGJDEUDHQTURR-YBFXNURJSA-N	361.422	4.771	50	20	FJGD	
O=C(NOC1CCCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	775293143	CWKQDQJFXHUQCW-LBPRGKRZSA-N	368.808	4.902	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCC2)cc(C)c1OCc1ccccn1	781554229	IXPNUKVJRUNNQL-MOSHPQCFSA-N	360.457	4.944	50	20	FJGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817908711	HXMOOTAHQLJFEE-FMIVXFBMSA-N	351.349	4.904	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2nc(-c3cccs3)oc2C)cc1	841766792	KCEWNBNDWQCEQE-YBEGLDIGSA-N	364.426	4.670	50	20	FJGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccccc2Oc2ccccc2)CCO1	846460293	AURGSVDBKQQCMM-AEFFLSMTSA-N	354.450	4.517	50	20	FJGD	
N#C/C(=C/c1ccccc1Br)C(=O)c1c[nH]c2cc(F)ccc12	915990611	PVEAMLNUBCJNSG-GHXNOFRVSA-N	369.193	4.859	50	20	FJGD	
CCc1ccc(-c2nc(CC(=O)NNc3cc(C)ccc3C)cs2)cc1	917512814	OKAXNZXPTRUAMY-UHFFFAOYSA-N	365.502	4.675	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	920064577	GSPKLTSPQFNQHU-ONNFQVAWSA-N	363.248	4.560	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	6209445	BQISYNKYWCRNNS-SDNWHVSQSA-N	374.412	4.946	50	20	FJGD	
CCn1c(C)cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1C	12510032	QKSFWEXTGXELDV-UHFFFAOYSA-N	360.672	4.842	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	103277075	VKCAITUABSPZRB-UWVGGRQHSA-N	354.294	4.517	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(F)c2F)c(C)n1CC(F)(F)F	107417689	QJZWBUTWHQQSDG-QPEQYQDCSA-N	368.305	4.735	50	20	FJGD	
CC(C)=CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	190245574	BIYZOTJBAONAIF-UHFFFAOYSA-N	351.362	4.589	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@](C)(C#N)C(C)C)c(C)n1C1CCCCC1	261368846	VZRFBGOGTSENPB-PSXBWXLBSA-N	366.509	4.572	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1Oc1cccnc1	303498127	XVGYXJYWTJKDRR-AQTBWJFISA-N	355.397	4.728	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc(Cl)c1OC	727655213	RFGFFNREHLXAKO-NVNXTCNLSA-N	355.821	4.764	50	20	FJGD	
O=C(NN=C(CC1CCCCC1)c1ncccn1)c1cccc2ccccc12	741462728	NHEGNRZXAVLMMO-UHFFFAOYSA-N	372.472	4.734	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(OC2CCC2)cc1	743297676	QJFIJNCNVBYENC-UHFFFAOYSA-N	367.836	4.576	50	20	FJGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1	745838179	HJGUEZNPYNADSP-OAHLLOKOSA-N	367.921	4.584	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)CC(C)(C)c2ccccc2)o1	746494262	LJBXTMJJBKEFDO-UHFFFAOYSA-N	369.509	4.595	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1cc(C)c(Cl)cc1OC	747007273	UFPBOJDRISQGLN-OQLLNIDSSA-N	370.836	4.520	50	20	FJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	750892406	HDZTWHVNAPRLDO-NVNXTCNLSA-N	364.342	4.905	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc1C	765612811	FSVHTPCACTYNNP-JYRVWZFOSA-N	373.206	4.739	50	20	FJGD	
COc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1C1CC1	768058565	IUVCEQKHGHAODM-UHFFFAOYSA-N	351.233	4.636	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(Cl)c1	774118706	AVZBRPZBODBIPY-JYRVWZFOSA-N	365.776	4.828	50	20	FJGD	
N#C/C(=C\c1cccc(Br)n1)c1nc2cc(F)ccc2s1	777917024	UBPMZQHVPCCWDJ-RMKNXTFCSA-N	360.211	4.657	50	20	FJGD	
CCC[C@@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974457	VMIDDACEHZXFOZ-SECBINFHSA-N	353.378	4.811	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2Cl)c1C	783685263	VHJHMQGUJINSFI-OQLLNIDSSA-N	369.808	4.642	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1)c1ccccc1	788588889	XZHRNSAIAOEDMO-CQSZACIVSA-N	367.836	4.632	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(OC(C)C)c1	789846196	MUKUCOHJWVJEPS-UHFFFAOYSA-N	356.466	4.537	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	811627239	WMVYUIULILDGMG-ONNFQVAWSA-N	351.145	4.593	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cccc(S(C)(=O)=O)c2)CC1	834430253	JQMJLVGYLYXJQO-UYRXBGFRSA-N	373.518	4.563	50	20	FJGD	
C[C@@H](N)[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189365	GQQOBDAOENJQKV-ZJUUUORDSA-N	359.364	4.545	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccsc1	915990263	XTXYFTOOHAIDMM-JYRVWZFOSA-N	371.824	4.825	50	20	FJGD	
C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	920807721	APRACNJWPNIRGT-XWTMOSNGSA-N	370.628	4.564	50	20	FJGD	
O=C(NNc1ccncc1Cl)c1cc(-c2ccccc2)ccc1Cl	154602099	IXTBNUMLCKRILM-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc(C)c1O	171670880	LNLSXZXBYZPRGB-KPKJPENVSA-N	362.248	4.623	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1ccccc1C(F)(F)F	173280994	YENMYPDGOJPDAO-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CC(C)(C)n1cc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)nn1	191948293	ZNDIXVXFDADDJE-UHFFFAOYSA-N	370.347	4.943	50	20	FJGD	
CC(C)(C(=O)NN[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1	732918041	ABCBOSOAIKIPMT-QFIPXVFZSA-N	358.485	4.569	50	20	FJGD	
CN1/C(=C/C=C(/C#N)c2nc(-c3ccccc3)no2)C(C)(C)c2ccccc21	733783081	RZTPEHFYNJOFPN-XDJAMHPTSA-N	368.440	4.955	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	735617140	TTXBXJNDTHUWIB-JYRVWZFOSA-N	355.344	4.546	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccccc2)o1	747604973	LQRRWHXODOADOM-UHFFFAOYSA-N	362.307	4.848	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1csc(-c2cccs2)n1	748010103	WWUBOAMJDPQJIQ-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccc(Cl)c1	748637246	JSYZKGSXBJOOBQ-MRXNPFEDSA-N	368.811	4.824	50	20	FJGD	
Cc1nc(CC(C)C)c(C(=O)NNc2cc(Cl)ccc2Cl)s1	755828215	HPEHQSZIBPLBOV-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
CC(=O)c1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1C	760080562	BYBHWEDIXMJRKZ-UHFFFAOYSA-N	373.456	4.941	50	20	FJGD	
COC[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762978270	LTQIYWVVDSUYOC-JTQLQIEISA-N	360.348	4.844	50	20	FJGD	
CO[C@@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1Cl	763814536	NVWQVWWDKSQVJU-BBRMVZONSA-N	373.971	4.858	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1NCc1ccccc1	764465840	IGZMGNZJQBRVPX-UHFFFAOYSA-N	369.827	4.848	50	20	FJGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc2ccccc2n1	777459908	JKVWYZUZAUAJQR-ZDUSSCGKSA-N	373.378	4.576	50	20	FJGD	
CC(C)(C)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978743	JHPMVYSRRQNPDS-UHFFFAOYSA-N	353.378	4.668	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3ccc(C)c(C)c3Cl)c(C)cc2c1	783607140	XJNWZEOPQSXSHS-UHFFFAOYSA-N	369.852	4.579	50	20	FJGD	
CCSc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)c1	787154777	MEEFOXXPJBDGOB-BRFSQIRFSA-N	366.486	4.592	50	20	FJGD	
N#C/C(=C\c1cc(Br)c(Cl)s1)C(=O)NC1CCCCC1	790101453	OAKZJOFMAGMILV-RMKNXTFCSA-N	373.703	4.520	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	812239789	FHFABLYXZIULKR-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
CC(C)(C)[C@@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190471	PGLBIXPAISVWIG-LLVKDONJSA-N	361.380	4.839	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OC[C@H]2CCCCO2)c(C)n1C1CCCCC1	857828685	LXVDAXOHDSGULO-CNSVBDKNSA-N	370.493	4.629	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(/C=C\C(=O)O)cc2)cc1	1776807667	KZNBYTRTFMIJKG-GENSBODJSA-N	374.440	4.673	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(NC(C)=O)cc2)cc1	7167504	VBHWGELWVXBTLS-SJPXOZHESA-N	361.445	4.704	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1	159229614	JKWFKOOJLVAWOQ-UHFFFAOYSA-N	369.465	4.555	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c1	171417915	HVMFWLDCBBZIKX-YBFXNURJSA-N	370.456	4.856	50	20	FJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2cccc(C(F)(F)F)c2)s1	187068835	ARFRXJDIWWLMJN-UHFFFAOYSA-N	365.380	4.827	50	20	FJGD	
C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193034122	WUEIBIBKSOOAGC-SECBINFHSA-N	372.359	4.539	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)c(C)c1	211538179	IUFGEVNUCXXDDN-AQTBWJFISA-N	368.440	4.718	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2c[nH]nc2-c2c(F)cccc2F)n1	255458537	BLESTEUJTKORMT-WDZFZDKYSA-N	356.401	4.999	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1cc2sc3ccccc3c2s1	734247339	DTGRSEFMZOAURP-UHFFFAOYSA-N	359.863	4.921	50	20	FJGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(SC(F)F)cc1	734978024	QCFWBNKMOSQLPB-UHFFFAOYSA-N	373.428	4.566	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)ccc1SC	746342452	UUAUNBMOYXNJAJ-MHWRWJLKSA-N	363.442	4.840	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccc(C(F)(F)F)cc1	747601428	ZPILFYDKKOGZLV-UHFFFAOYSA-N	373.378	4.556	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	748759465	RUSLTVSDFVATEK-DLBZAZTESA-N	372.255	4.788	50	20	FJGD	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cc(-c2cccs2)[nH]n1	764787493	ZGZBMEOKIWPYHK-UHFFFAOYSA-N	364.474	4.582	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2cc(SC)ncn2)cc1OCCC(C)C	773176054	ITVOHYVSQMCGCA-CXUHLZMHSA-N	369.490	4.696	50	20	FJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	779200431	CIFRWEGFSDPXPR-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(-c3nccs3)cc2)ccc1Cl	788553757	KNQVFQXVLUPLFF-UHFFFAOYSA-N	374.853	4.621	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(F)c2Cl)c1C	809196921	ZLRCQYFNSBNPSI-GDNBJRDFSA-N	359.832	4.853	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cscc2C(F)(F)F)c(C)c1	811626090	BTKFVNGURPJFTQ-SDQBBNPISA-N	350.365	4.929	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cscc1C(F)(F)F)c1ccccc1	811627107	TVFPGSIIGLHPIE-HKMIMPICSA-N	350.365	4.551	50	20	FJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2c(C)cccc2C(C)C)c1C(C)C	812768492	VQNYUFBRBKNHBE-UHFFFAOYSA-N	355.482	4.838	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2cccc(Cl)c2Cl)c1C1CC1	838348717	MSFZVFPJQOGTQF-JTQLQIEISA-N	367.280	4.795	50	20	FJGD	
C[C@]1(C(=O)O)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841838440	BYTOYSYRWZARQQ-ZDUSSCGKSA-N	374.331	4.673	50	20	FJGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)cc1C	846378968	PXOONXRIZQPDGO-SECBINFHSA-N	374.794	4.592	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccco2)c1C	914496306	VWPPRRYXTBHCOQ-MCRQTXEHSA-N	353.466	4.625	50	20	FJGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)c2ccccc2F)cc1	920360497	RWMONXLPMFAHNV-UHFFFAOYSA-N	368.452	4.909	50	20	FJGD	
O=C(COCc1ccncc1)Nc1cccc(S(F)(F)(F)(F)F)c1	1324060540	HPWPPGHRYWOHKH-UHFFFAOYSA-N	368.327	4.894	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OC	33689634	OUEJYKXEVVUXMT-NVNXTCNLSA-N	370.836	4.520	50	20	FJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(C)cc3)cc2)cc1	89689470	RZGKKTKCDXUWHG-UHFFFAOYSA-N	360.413	4.747	50	20	FJGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	121794709	KVIRAFVCGZGYHF-LUAWRHEFSA-N	362.212	4.800	50	20	FJGD	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CCCC[C@@H]2CCSS2)C1	182178672	KTVXPPYYQFIIGT-DJIMGWMZSA-N	350.553	4.705	50	20	FJGD	
CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183489210	RDSHBTMXYMNMLF-NXEZZACHSA-N	374.375	4.833	50	20	FJGD	
O=C(NC[C@H]1CC[C@H](O)C1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261308	SPUUZOHFXLTCQL-ONGXEEELSA-N	360.348	4.627	50	20	FJGD	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1	732714230	UNTCVUAFDDGSTQ-LDADJPATSA-N	372.428	4.802	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)ncn3C)cc1	761198988	AJPUWYXYYZDVCC-GZQZNAIASA-N	358.445	4.632	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NCc2cnc3cnccn23)c1	762569863	VJJJGQLYNQPGRG-UHFFFAOYSA-N	350.316	4.999	50	20	FJGD	
CSc1cccc(C)c1NS(=O)(=O)c1ccc(CCCCl)cc1	769894261	SFNCNHDLIPTWQS-UHFFFAOYSA-N	369.939	4.689	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1c[nH]cc1-c1ccc(Cl)s1	771673482	CEKNXDBNNDBBAM-UHFFFAOYSA-N	370.236	4.946	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc2cnccc12)Cc1ccc(Cl)cc1	772818743	YIMUOMRYQCWBQY-CQSZACIVSA-N	353.853	4.600	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2cc(F)ccc2s1	777477838	XTWMHXIKCLVIGX-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1cc(Cl)ccn1	778448975	URVWHPDOJYQCJC-UHFFFAOYSA-N	364.685	4.569	50	20	FJGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)c1cccc2ccccc12	781127028	KHUKNFUIASDYNJ-UHFFFAOYSA-N	359.816	4.805	50	20	FJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(Cl)c1C	783590924	HTBXULUVDKIMTC-UHFFFAOYSA-N	360.738	4.872	50	20	FJGD	
CCCn1c(C)c(C(=O)NNc2cc(C)ccc2C)c2cc(OC)ccc21	790092415	JPNIAPZMIWOUCH-UHFFFAOYSA-N	365.477	4.742	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1C(F)(F)F)c1ccccn1	794867412	YEIQGMMJCQGNHK-YRNVUSSQSA-N	353.141	4.927	50	20	FJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1ccc(Cl)cc1	795192046	JYVPGBMHMJAKSH-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cn1	797787901	FUMMXZHRAFCERL-AQTBWJFISA-N	356.385	4.822	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	801569379	PEUNWMNTHGWANH-DHPFLCLMSA-N	360.432	4.670	50	20	FJGD	
C[C@@H]1[C@H](CO)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841684856	IIRCGJOZGLCBGE-MNOVXSKESA-N	374.375	4.969	50	20	FJGD	
COCC1(CC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	843525219	WEKBSAVHHUFXQT-ZDUSSCGKSA-N	367.820	4.661	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCCCCC#N)c2C)cc1	914622654	OIMGYKJDJDLSPS-ZHZULCJRSA-N	361.445	4.547	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1ccc(-c2ccccc2)s1	1320010265	QWTJMDAJKOZWGG-UHFFFAOYSA-N	373.275	4.935	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	7751129	WFMORLXBNLOGJR-UXBLZVDNSA-N	353.155	4.817	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)c(C)n1Cc1ccco1	96663387	HNZSDWWPDKETPU-PDGQHHTCSA-N	356.429	4.697	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1C(F)(F)F	126373679	TYBWSXMLRPAURX-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
Cc1cccc([N+](=O)[O-])c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	183801162	XWEPYHRSQKPEMR-UHFFFAOYSA-N	374.611	4.620	50	20	FJGD	
O=C(CCc1cccc(OC2CCCC2)c1)NNc1cccc(Cl)c1	727677810	SUDBRKPPPUKSBC-UHFFFAOYSA-N	358.869	4.737	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2ccc(F)cc2)c1C	728500659	IYJBHIFVTMKCIB-QGOAFFKASA-N	367.468	4.613	50	20	FJGD	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)CCCC[C@H]1CCSS1	737965812	UCQXDTULXGPYQR-CJNGLKHVSA-N	353.528	4.986	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(Br)cc2)c1	741473015	DTZYAQAKLZSKOY-GRRFOWRYSA-N	372.266	4.547	50	20	FJGD	
COc1ccc(Br)c(/C=C(\C#N)C(=O)c2sccc2C)c1	747690586	OJRJQGCBWXIUQV-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2c(C(F)(F)F)nn(C)c2Cl)n1	758932523	VDIDIEGHPVWIPF-XBXARRHUSA-N	360.792	4.736	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1csc(Cl)c1Cl	761781722	GDWAUSHJJSHFBH-UHFFFAOYSA-N	363.269	4.901	50	20	FJGD	
Cc1n[nH]cc1CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	764724179	HBUUPHNHHYCDQJ-UHFFFAOYSA-N	356.320	4.697	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=CC1CCC(C(F)(F)F)CC1	767355611	ICXLHEVRAOXLSM-UHFFFAOYSA-N	362.395	4.853	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(COCc2ccccc2)cc1	770038592	LWFDGARPKJBLMT-UHFFFAOYSA-N	365.408	4.691	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cscc1Cl	771884819	NCIBVQVHGCFGAL-UHFFFAOYSA-N	361.879	4.597	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c(OC(F)F)c1	774558375	JVSXAMWKCXDMEM-ZSOIEALJSA-N	360.316	4.577	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	776724983	BGCSWKBDZFQKRJ-YFHOEESVSA-N	358.182	4.573	50	20	FJGD	
CCC1(CNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	782985684	SEQQKXODQOMZJG-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnc(-c2ccco2)s1)c1ccccc1	789147597	JILBPAFELOKXIK-HKBKRHGFSA-N	363.442	4.578	50	20	FJGD	
O=C(NNC(=O)c1cc2sc3ccccc3c2s1)Nc1ccccc1	801987066	PALANODLYKHVBJ-UHFFFAOYSA-N	367.455	4.583	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3cc(C(F)(F)F)ccn3)s2)cn1	812248019	BMFOLTQYKKWHON-IZZDOVSWSA-N	360.364	4.627	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1	817565042	IZQDOYZQKVXANH-LSDHHAIUSA-N	350.300	4.550	50	20	FJGD	
O=C(NN=C1CCCC12CCC2)c1cc(-c2ccncc2)nc2ccccc12	834917240	CFEOATCEFFFYNB-UHFFFAOYSA-N	370.456	4.737	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(O[C@@H]3CCOC3)cc2)s1	849178824	HTROHUOERVOXFK-XBNGYDHASA-N	354.475	4.672	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cn(C2CC2)nn1	860828197	HGEWJISUAXRSJD-UHFFFAOYSA-N	354.304	4.523	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1Cl	915989559	ANTWJWDOHWOCES-GXDHUFHOSA-N	367.861	4.994	50	20	FJGD	
CCN1CCC[C@H]1CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	1330758728	CWPDCDPHUNCJCU-LBPRGKRZSA-N	373.391	4.950	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(NC(C)=O)cc2)cc1	3261423	XEMRVBZLTAVRSB-XMHGGMMESA-N	361.445	4.533	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c1C	7210172	YZEILJLITBQDDE-LDADJPATSA-N	366.461	4.712	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1Cc2ccccc2S1	14212746	XXPASFFEBLBVMZ-CYBMUJFWSA-N	373.692	4.807	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(F)c1	18063330	PEVAUIZJYCAGQV-GZTJUZNOSA-N	352.409	4.505	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)c1ccc([N+](=O)[O-])cc1	71923671	SVBXMPIFEQRXIP-UNOMPAQXSA-N	357.369	4.633	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)c1nc2ccccc2n1C	96884022	IBPHICYEROIMLO-VBKFSLOCSA-N	371.419	4.579	50	20	FJGD	
C[C@@H]1CCc2c(C(=O)NNc3cccc(C(F)(F)F)c3)csc2C1	104714545	UTMXNADMUOTUQG-SNVBAGLBSA-N	354.397	4.649	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(OCCCC#N)c1	171148439	GXYMDMHAWIUAKB-CPNJWEJPSA-N	359.429	4.532	50	20	FJGD	
Cc1ccnc(NNC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)c1	176736566	QGHBRVNDGWLYSM-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1cccc2cnccc12	178500358	IIHISFBUGZTBPD-ZDUSSCGKSA-N	373.378	4.576	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc(Cl)c1O	179609932	HYJNFDUTKOHRLV-ONNFQVAWSA-N	366.175	4.637	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnn(C(C)(C)C)c3)n2)cc1	194577863	QWPHTSOLKUONLF-CXUHLZMHSA-N	364.474	4.834	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3oc(C(C)C)nc3C#N)sc2c1	729348152	MPRZYCRJXQRESZ-UHFFFAOYSA-N	374.853	4.603	50	20	FJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	730152069	ZKZLPAVUEZUVMF-LFIBNONCSA-N	354.837	4.920	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C\c1cn(C(C)(C)C)nc1-c1ccccc1Cl	731157127	RTBBLUQIZUDHDT-KAMYIIQDSA-N	369.852	4.595	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(C)c(F)c1	731488446	GBEOXAASQLCMJB-AUWJEWJLSA-N	358.800	4.650	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	731488486	HOIJOXZGQMUNSP-KPKJPENVSA-N	350.708	4.914	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2coc(-c3ccccc3)n2)c(C)c1	731835365	AZQONQISTVMZBK-WQRHYEAKSA-N	357.413	4.813	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c(OC(F)F)c1	734094669	FJKVYSCUBAMIQZ-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1cc2c(s1)CCCCCC2	734248941	CHFLSPSESNCSBF-UHFFFAOYSA-N	357.504	4.774	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccccc3F)c3ccccc3n2)o1	748050836	WMEQWPRTIYWYQK-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C	748562571	UEAOZDJPLRWLMJ-MRXNPFEDSA-N	365.452	4.919	50	20	FJGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1	756824567	VHHOBCGGARMCGA-UHFFFAOYSA-N	373.186	4.667	50	20	FJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)Nc1ccc(F)c(Cl)c1	759115454	BNUVFBXGLCLDJG-XYOKQWHBSA-N	369.758	4.712	50	20	FJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2cc(F)c(F)c(F)c2)C1	767094119	PHKIUTOTJFICIV-DZGCQCFKSA-N	372.431	4.703	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)c1ccc(F)c(Cl)c1	773155207	TYBDBTGAEPYAMK-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	776595402	BRBYWYWNWMHLBG-WQRHYEAKSA-N	352.393	4.509	50	20	FJGD	
CCO/C=C(\C#N)C(=O)Nc1nc(-c2cccc3ccccc23)c(C)s1	779349926	ZRNYMCUIUQAKSP-NTCAYCPXSA-N	363.442	4.654	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)cc3c2OCC3)c(C)c1	782880772	NYMFRUVKEDRKCT-CAOOACKPSA-N	366.848	4.746	50	20	FJGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1cccc(-c2cccs2)c1	790504356	DGIZXMSSZGYFOU-UHFFFAOYSA-N	372.381	4.611	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2nc(C(F)F)sc2c1	804721414	BNUQGJPXKKPSRJ-YRNVUSSQSA-N	373.359	4.919	50	20	FJGD	
CC(C)n1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1	806571352	HTGXYOAEZJXNLI-BJMVGYQFSA-N	363.368	4.552	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c(Cl)c1OC	809145915	JKVMCOHLXBTAAK-YBEGLDIGSA-N	355.821	4.764	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN2CCOC3(CCOCC3)C2)c1	892215803	KGPHMZZYYFYSDP-UHFFFAOYSA-N	373.387	4.725	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C3CC3)cs2)c1C	914528189	WWAFPJFRQQAHPP-YVLHZVERSA-N	368.506	4.785	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc2cccs2)c1C	914743273	UAJVEAFNNQGAJQ-JPVKTXQWSA-N	369.534	4.621	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCOc2c(Cl)cccc21	919827557	OCROGCSFKWUXNZ-SWLSCSKDSA-N	371.955	4.994	50	20	FJGD	
C[C@@H]1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@@](=O)C1	1335000418	GDUZVMGLIOQENF-WSVYEEACSA-N	363.417	4.544	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C(=O)O)c2)cc1	1776697741	PRYVZGYQPFZLCB-RKPNYOAGSA-N	366.392	4.583	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OC)cc1	7167535	NPAWMYJSOWNRHN-VUODPORTSA-N	364.445	4.763	50	20	FJGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(Cl)ccc12	40140008	VTHQYGGPKVPLAN-GHXNOFRVSA-N	351.749	4.519	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C/c1ccccc1C#N	175635416	ARVWOHKBKOXTOE-MDZDMXLPSA-N	361.470	4.908	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)c1ccc(Cl)cc1F	179615647	GPSXQQHXIFNULY-JXMROGBWSA-N	360.175	4.570	50	20	FJGD	
CN(C)C(=O)N1CCC(Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184034621	MYBNKXKFVSKWAW-UHFFFAOYSA-N	373.391	4.902	50	20	FJGD	
O=C(CCOCC(F)F)Nc1cccc(S(F)(F)(F)(F)F)c1	190262370	CCMKOWMVVFAXTQ-UHFFFAOYSA-N	355.275	4.954	50	20	FJGD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	194348434	GQTAWWGUYVAHQB-AOOOYVTPSA-N	372.359	4.682	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OC(C)C	207832143	ZMTVZOQDNZKIMX-WQRHYEAKSA-N	364.445	4.645	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cn(CCC#N)c2ccccc12	207832448	OWNHYVIXUZJDHU-AQTBWJFISA-N	368.440	4.718	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NNc2cccc(C)c2)cc1OC	215784050	BGWQQOOISCTCSW-UHFFFAOYSA-N	356.466	4.720	50	20	FJGD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)/C(=C\C#N)c1ccccc1	255132764	PPMOLRADXLSNCR-BOPFTXTBSA-N	374.271	4.818	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C\c1cncc(F)c1	255723648	KLVATKWNHDIHAN-WAYWQWQTSA-N	355.438	4.571	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CC[C@@H](CO)C1	297333502	YXLALRYCEQWKFW-KOLCDFICSA-N	360.348	4.627	50	20	FJGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)C12CC3CC(CC(C3)C1)C2	728434110	SQDYXWKSNPHOMW-UHFFFAOYSA-N	362.420	4.610	50	20	FJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)c1nc(-c2ccncc2)cs1	731835651	LUOCJWVOTMQVMW-MHWRWJLKSA-N	356.410	4.924	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cnn(Cc4ccccc4Cl)c3)[nH]c12	735619733	QITBBBBGDKSMRH-RQZCQDPDSA-N	373.847	4.834	50	20	FJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1ccc(F)cc1	753918262	ZAEFYGWDMJPBQW-UHFFFAOYSA-N	369.223	4.629	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1Br	756909405	UNJOQDNIHYENNF-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CCOc1cc(C)ccc1CNC(=O)CCCC[C@@H]1CCSS1	757000677	WTIYDNYVXLBECJ-MRXNPFEDSA-N	353.553	4.724	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)Nc1ccc(F)c(Cl)c1	759115449	BNUVFBXGLCLDJG-WQLSENKSSA-N	369.758	4.712	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cccc(Br)c1)c1cccc(Cl)c1	763364770	VJVNZRUYMJABPP-NSHDSACASA-N	365.658	4.622	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(Oc2ccccn2)c1	770045250	XUIDNFFCDCMGSS-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
Cc1cnc([C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)o1	770923253	BKZUDIFNWXDWBG-KCBNLNMNSA-N	369.465	4.659	50	20	FJGD	
N#C/C(=C/c1occc1Br)C(=O)c1ccc(Cl)cc1F	773148993	GGHZNHAKVOEWAF-YVMONPNESA-N	354.562	4.624	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(Oc3nccs3)c2)cc1	780805951	LXOCCDDPAXJSLJ-UHFFFAOYSA-N	367.474	4.990	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccc(SC(F)F)cc2)ccc1[N+](=O)[O-]	781550228	OZMQZEHBAZCHPT-MDWZMJQESA-N	362.357	4.982	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncccc3C)c3ccccc3n2)cc1	791220016	CFYQHHINUDUNNA-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c(-c2cccs2)n1	797398698	JQXRKRZGAJZINM-WQLSENKSSA-N	354.504	4.967	50	20	FJGD	
Cc1cc(C(=O)NNc2ncccc2F)c(C)n1-c1ccc(C(C)C)cc1	804217214	UIXISWXAJALWPF-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCCOc1cccc(C#N)c1	812768280	NEPCFHWPLFAQEA-UHFFFAOYSA-N	365.477	4.683	50	20	FJGD	
C[C@H]1CN[C@H](C)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190178	LTRQQRNZHRMTHX-ZJUUUORDSA-N	359.364	4.558	50	20	FJGD	
CO[C@@H](C)c1nc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)cs1	844346681	CHDDEQFVWUPEKA-GOEBONIOSA-N	370.635	4.837	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	857496948	XLSDBUFYRSXTFF-AWEZNQCLSA-N	372.538	4.569	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC(F)F)c2)c1C	915702061	UJHOMCUGXYOQES-MHWRWJLKSA-N	373.403	4.662	50	20	FJGD	
O=C(NN=C[C@@H]1CC=CCC1)c1ccc(NN=C[C@H]2CC=CCC2)cc1	915903377	JWWYABOIIVTFPN-ZWKOTPCHSA-N	350.466	4.513	50	20	FJGD	
CC(C)c1cccc(NC(=S)NNC(=O)c2ccc3ccccc3c2)c1	917575906	HQIYRJWMYUSSMF-UHFFFAOYSA-N	363.486	4.595	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3)cs2)cc1	917950098	ZIVJDCOHUYINMF-WOJGMQOQSA-N	360.438	4.769	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)OC3CCCCC3)cs2)cc1	918736146	RMOBGUSSWGLMMK-LFIBNONCSA-N	352.459	4.901	50	20	FJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccccc1C(F)(F)F	919810809	IHCFFZOSBWCEOU-UHFFFAOYSA-N	372.774	4.903	50	20	FJGD	
Cc1ccc(NNC(=O)CSCc2ccc(Cl)cc2Cl)cc1	919964175	SNVVDBCLFCXXPI-UHFFFAOYSA-N	355.290	4.678	50	20	FJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1	921270681	XPBDUEKWEIIQKO-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
C[C@@H](CBr)CN1CCC[C@@H](c2nc3ccccc3s2)C1	1320645408	QCDZUGSCWTUMME-QWHCGFSZSA-N	353.329	4.507	50	20	FJGD	
Cc1cc(CN(C)C(=O)CCl)cc(C)c1OCc1ccccc1Cl	1336910078	MXZKWNWLHZWHLJ-UHFFFAOYSA-N	366.288	4.733	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(-c2ccc(F)cc2)s1	178511612	TUWRWOQXCYRNTD-UHFFFAOYSA-N	363.417	4.859	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1cccc2cnccc12	178851752	CKLZVMVNNFZCGB-UHFFFAOYSA-N	367.408	4.820	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccccc1Oc1ccccc1	740142436	RNKSGXWFBWATCG-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(Cl)n2)c1C	744570095	HEFZFRLJGDKJJR-GZTJUZNOSA-N	371.868	4.604	50	20	FJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1cc(Cl)ccc1Cl	752812133	DYCGXKCTOQSQTF-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1	773164055	PJQRXGCDDASFMA-RIYZIHGNSA-N	365.795	4.968	50	20	FJGD	
C[C@H](c1ccc(Cl)cc1)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	787087727	DJNSXUSXVCZVSG-MTOJCTJASA-N	366.848	4.705	50	20	FJGD	
COc1cc(NNC(=O)CCCC[C@H]2CCSS2)ccc1Cl	790177968	RWDNHIAPBCEJFD-LBPRGKRZSA-N	360.932	4.506	50	20	FJGD	
C=C(CBr)CN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F	791491452	UDWVJJAKGSAHMR-VXGBXAGGSA-N	350.222	4.738	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)c1nc2ccccc2[nH]1	799889364	NDGIWOSUBOOGIG-CLFYSBASSA-N	360.161	4.668	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc3cccnc23)c1C	808797282	LHJOEFKRKFHNFX-BKUYFWCQSA-N	373.456	4.714	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2c(c1)CCCCC2=O	812770320	MURYLKOZUIWFJC-UHFFFAOYSA-N	350.462	4.784	50	20	FJGD	
CCOc1ccc(NNC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1	817885887	OZFNLURNNSZBCC-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CC=C(C#N)CC1	839531609	MHOVGAZTJLQVTC-UHFFFAOYSA-N	363.408	4.793	50	20	FJGD	
CN[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179216	LQABUZVEJWDPIC-NSHDSACASA-N	359.364	4.560	50	20	FJGD	
C[C@H](N)C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	841190747	SJXIWSMMQJYYIB-JTQLQIEISA-N	373.391	4.935	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1	901368064	QQMLYCGOWCKCTC-JWGURIENSA-N	372.468	4.617	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1	912643335	VOSKFPPEAIJPKP-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
CCCCn1nc(C)c(C=NNC(=O)c2ccc(C(C)(C)C)cc2)c1Cl	916323431	HSUUCIJIJFASQD-UHFFFAOYSA-N	374.916	4.706	50	20	FJGD	
COc1cc(OC)cc(-c2nnc(CCCC[C@@H]3CCSS3)o2)c1	1253859798	ZCNDUKPSGHXWNW-OAHLLOKOSA-N	366.508	4.620	50	20	FJGD	
Cc1nc2ccccc2n1Cc1nnc(CCCC[C@@H]2CCSS2)o1	1329060097	ABNNXVCIKZZJDA-CQSZACIVSA-N	374.535	4.643	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2c(c1)oc1ccccc12	1342782422	CCYQWPQWNZZRQL-UHFFFAOYSA-N	361.357	4.560	50	20	FJGD	
CCc1ccc(C(CC(C)C)=NNC(=O)Nc2ccc(C(=O)O)cc2)cc1	1776045637	BGNFBWUVGYZJRT-UHFFFAOYSA-N	367.449	4.519	50	20	FJGD	
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC=C(C#N)C#N	64937586	VCRKNMNPPZOUGM-UHFFFAOYSA-N	370.334	4.609	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cncc(-c2ccccc2)c1	153798430	OHEFDVGOFPMESS-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
O=C(CC[C@H]1CCOC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	176628478	FTSSZKYJOWJBOZ-IINYFYTJSA-N	367.820	4.661	50	20	FJGD	
CC[C@@H](C)CN(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183508302	YDPQXOWIWLUFOS-SNVBAGLBSA-N	374.375	4.787	50	20	FJGD	
CCCCN(CC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192985970	RKNMQDJNQQOAEF-UHFFFAOYSA-N	374.375	4.931	50	20	FJGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl	211504205	VKSAOQSOAPRUMI-WQLSENKSSA-N	350.727	4.904	50	20	FJGD	
O=C(CCCc1ccc(Br)s1)NNc1cccc(Cl)c1	302804890	LAXBSXKNEKSAMD-UHFFFAOYSA-N	373.703	4.630	50	20	FJGD	
CC(C)(C)c1csc(CNC(=O)CCCC[C@H]2CCSS2)n1	729440411	OTEUOGAVLWJYAN-LBPRGKRZSA-N	358.598	4.771	50	20	FJGD	
CC[C@H]1CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1	734977304	MWRROYXQQLMGRS-INIZCTEOSA-N	372.472	4.983	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccccc1F	736944571	VYDRSLIMFBJWFZ-QBFSEMIESA-N	362.316	4.784	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccc(OC(F)F)c3)n2)cc1	747034045	NTPJGYWYZZJUTE-OQLLNIDSSA-N	353.328	4.711	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1cc(Cl)ccc1Cl	748994772	SRENZEVVGDBVFF-YHYXMXQVSA-N	352.608	4.587	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(C)ccc2C)cnn1-c1ccccc1C	760463088	MWUOZOUJNXCVDH-UHFFFAOYSA-N	362.477	4.507	50	20	FJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)c1ccccc1OC(F)F	761384954	JQUASTJFDUYICO-JXMROGBWSA-N	374.343	4.827	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1	767083911	GVBSZEZSMYVUJB-MAUKXSAKSA-N	350.478	4.733	50	20	FJGD	
Cc1coc(-c2cc(NC(=O)[C@@H](Br)C(C)(C)C)ccc2C)n1	768277101	IXTQIQDJTXLWPR-CQSZACIVSA-N	365.271	4.707	50	20	FJGD	
O=C(NN=Cc1c(Cl)cccc1Oc1ccccc1)c1ccccc1	769566478	IIOJDUGLXLGHJF-UHFFFAOYSA-N	350.805	4.896	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Br)c(F)c2)s1	771688317	ASXVSVYFXXAJSO-UHFFFAOYSA-N	371.275	4.704	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12	771697322	LOHCXFOWTSFPQK-UHFFFAOYSA-N	369.827	4.970	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	773149780	KQPBOYZKVNXEGV-WDZFZDKYSA-N	350.176	4.931	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)C(=O)c1ccc(F)c(Cl)c1	773155635	VLHJEZFQMBBASO-LZYBPNLTSA-N	363.779	4.726	50	20	FJGD	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	776258633	SZMZXCJKEWZTMX-LFIBNONCSA-N	357.356	4.865	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1	798988818	CDWGQUINZYBAQH-GFCCVEGCSA-N	359.351	4.500	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2c(C)cccc2CC)cc1OCC	799755807	KQRVMJRRFRLGQR-UHFFFAOYSA-N	356.466	4.502	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(-c2cnn(C)c2)c1	801648511	TWXCHZGDIYOBKC-LICLKQGHSA-N	353.429	4.644	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c(SC)cc1OC	809146690	SHCAEJHLWNHHLR-RQZCQDPDSA-N	367.470	4.832	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cnc2ccccc2n1	811691775	TYKWPUUIGMQKEG-WZUFQYTHSA-N	371.183	4.909	50	20	FJGD	
C[C@]1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCNC1	841190245	NQYDYBCIWDOKQL-AWEZNQCLSA-N	373.391	4.855	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl	915901472	VPQOJNGSMQOWIX-MRVPVSSYSA-N	360.191	4.659	50	20	FJGD	
O=C(CCl)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1	1319785673	IBEGYVZNFFDZQJ-UHFFFAOYSA-N	357.759	4.695	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3cccnc3)o2)c(C)n1CCC(C)C	1322676306	DHSJHFGSVFPDKI-ODLFYWEKSA-N	361.449	4.660	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)c2nc3ccccc3n2C)c1Cl	115961902	KAHUFHTWWYIZJI-QINSGFPZSA-N	373.847	4.691	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1ncnc2ccsc12	132635243	GQOSQWXICDCRFU-UHFFFAOYSA-N	370.503	4.507	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](c2c(F)cccc2F)C1	184947534	JDJPKITXZWOOOV-KBPBESRZSA-N	371.518	4.995	50	20	FJGD	
CCN(CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	192263431	KEBYJBIUBKMTDL-UHFFFAOYSA-N	373.391	4.950	50	20	FJGD	
CC(C)(O)C1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	287355913	ZQKVVGXFNIBKRJ-UHFFFAOYSA-N	360.348	4.579	50	20	FJGD	
Cc1cccc(C2(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)c1	726768830	JXTVILUXHORGHZ-UHFFFAOYSA-N	373.840	4.512	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)N(CC(F)(F)F)C1CC1	732715435	VUSLRYNXUHDMEU-LDADJPATSA-N	370.374	4.814	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(OC(F)F)cc1C	742347282	YAXXKFCAVLULKB-GZQZNAIASA-N	370.399	4.689	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1	743057436	RRHBNCCVPVXMND-FVLHSZHDSA-N	371.820	4.589	50	20	FJGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	748243666	CRQNQRZOMNVLIN-SSDOTTSWSA-N	365.692	4.556	50	20	FJGD	
Cc1ccc(CC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)o1	754280169	JWYBDHKJYQRCIQ-AWEZNQCLSA-N	363.788	4.989	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	764106866	FWRHAJNBADZWBN-OQLLNIDSSA-N	371.371	4.654	50	20	FJGD	
Cc1[nH]c2ccccc2c1CC(=O)NNc1c(Cl)cc(F)cc1Cl	767404960	KMEHETBZPGZZTM-UHFFFAOYSA-N	366.223	4.608	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3c(F)cccc3Cl)cc2)oc1C	769961963	ZLWQOPNBRAPMAC-UHFFFAOYSA-N	374.803	4.900	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2c(F)cccc2Cl)c1C1CC1	771180386	WKWIMOGDQQGWCC-SNVBAGLBSA-N	365.840	4.673	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773160245	NEKHQSZXMKWNDY-WDZFZDKYSA-N	365.330	4.655	50	20	FJGD	
Cc1csc(-c2ccc(NC(=O)NNc3cccc(Cl)c3)cc2)n1	775588792	HXOSUVUAKQCTSP-UHFFFAOYSA-N	358.854	4.921	50	20	FJGD	
O=C(NNc1ccccc1F)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	780948077	ABVCRUUGKRJCSR-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
C[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CCCC[C@H]12	782505190	VCICNRKEGUMKGP-UEVCKROQSA-N	367.473	4.511	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cn1	790101432	YKEVYZOIVLGDRE-RIYZIHGNSA-N	352.438	4.739	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2ccccc2Cl)c(OC(C)C)c1	790804750	QANXTXBFPKJXFI-UHFFFAOYSA-N	362.857	4.673	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(OC(F)(F)F)c1	791731836	DMGKGAZOYPOHAB-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c(C)cc1Cl	793711118	VMRRRWYFENFCTK-UHFFFAOYSA-N	367.758	4.604	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3cccc(CCl)c3)nc(O)c2c1C	799890437	LZLQMPIILAPOCB-AUWJEWJLSA-N	355.850	4.817	50	20	FJGD	
Cc1csc([C@@H](NCc2ccc(OCCCCl)cc2)C2CC2)n1	811482174	GWXKANSVWREKPB-KRWDZBQOSA-N	350.915	4.700	50	20	FJGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	915848753	SWMUOYBLYRYVBH-ZROIWOOFSA-N	358.800	4.812	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3c(C(C)C)nn(C)c3Cl)n2)cc1	917621397	DBTHXFOHQFEXBJ-NTEUORMPSA-N	367.840	4.620	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C)n1CC1CC1	1116435214	WMUKLOCJMVUQKD-UHFFFAOYSA-N	370.255	4.718	50	20	FJGD	
COCc1c(C(=O)NNc2cc(C)cc(C)c2)sc2cccc(F)c12	125048560	JWAHCNSZAQUVHW-UHFFFAOYSA-N	358.438	4.561	50	20	FJGD	
Cc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1Br	129767073	PSGQFYMHYYWRCB-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1OC(F)F	588580820	QXADCBAVFYRPSG-ZROIWOOFSA-N	367.355	4.694	50	20	FJGD	
N#C/C(=C/c1sccc1Cl)C(=O)Nc1ccccc1Br	588600682	DMYJVCJHHMODKC-CLFYSBASSA-N	367.655	4.710	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CCC[C@H]2CCC(C)C)cc1OC	727256916	PUIPLCOQSXMIRX-INIZCTEOSA-N	360.498	4.806	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccc(F)cc1	736943199	FHOWMGNNGQRXIS-KAMYIIQDSA-N	362.316	4.784	50	20	FJGD	
Cc1c(C(=O)NNc2ncccc2C(F)(F)F)sc2ccc(F)cc12	740091359	LHKNHMNCUJBJME-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
C=CCCC(CC)=NNC(=O)c1ccccc1OCc1ccc(F)cc1	750919049	CSIJNEROAALWIF-UHFFFAOYSA-N	354.425	4.867	50	20	FJGD	
C/C(=C\C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1	754148063	RURURXWKFQBFJA-CSKARUKUSA-N	356.294	4.530	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(C)nc3)n2)c1	764884627	GIMPGOXRUXNQHO-MFOYZWKCSA-N	374.469	4.676	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1	767030057	NGVNWKBKTNNUCR-UONOGXRCSA-N	358.707	4.813	50	20	FJGD	
CCn1nc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)c2ccccc21	769742766	OQVXIRZCYMQJFS-ACCUITESSA-N	363.371	4.865	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1c[nH]c2cc(F)ccc12	783688267	IMWAEJPZLBZFOT-VZUCSPMQSA-N	369.739	4.658	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2)ccc1OCc1ccccc1	798229700	GNTQKWOLKYVMNJ-YBFXNURJSA-N	359.381	4.657	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	799759893	YXSXPUANUNOSSU-UHFFFAOYSA-N	369.465	4.661	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(OCCCCl)cc3)[nH]c12	811690489	BJYPWVDPRSYAJW-VBKFSLOCSA-N	351.837	4.943	50	20	FJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)[C@@H]1OCCc2sccc21	814177691	MBXUIRWERRMSGA-KUHUBIRLSA-N	365.926	4.548	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)C(=O)c1ccccc1	915981638	UTYBHTLUXGGVLK-MHWRWJLKSA-N	363.367	4.557	50	20	FJGD	
Cc1cc([C@H](C)NC(=O)NNc2ccccc2C(F)(F)F)c(C)s1	918213097	NRCXDCLTIPWPHB-JTQLQIEISA-N	357.401	4.771	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@H]2CCn3ccnc3C2)c1	922017124	LNTOIBQESHBBKW-LBPRGKRZSA-N	353.360	4.645	50	20	FJGD	
CN(CC1CC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	47482077	GPEBINBSKWRFFF-LBPRGKRZSA-N	352.809	4.780	50	20	FJGD	
N#C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	113176580	KDRBVHYCMUPORN-GJZGRUSLSA-N	354.928	4.735	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1O	277138379	DKBCXSHHWRETPB-JOYOIKCWSA-N	360.348	4.579	50	20	FJGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC(C)(C)C1	303235325	ZENKLYHYBFEQIP-RYUDHWBXSA-N	371.308	4.607	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)sc1C	378112310	GMCMTIWLWHVVQB-GZTJUZNOSA-N	359.458	4.601	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2Cl)c1C	726430534	ZDIQJALFIUUPLD-OMJMQIJPSA-N	355.869	4.724	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccccc2F)cc1OC	732577228	RCVQSMHQYPVGBT-JYRVWZFOSA-N	359.784	4.676	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1nccc2sccc12	734248315	PUOWRERSVVQNBW-SNVBAGLBSA-N	363.895	4.574	50	20	FJGD	
CCOc1cc(C=C(C#N)C#N)ccc1OCCOc1cccc(Cl)c1	746394143	OILRRIADFNCRNC-UHFFFAOYSA-N	368.820	4.627	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)CCc1ccc(Cl)s1	748737715	ZVMJHMZTOLYOSZ-UHFFFAOYSA-N	373.703	4.548	50	20	FJGD	
C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	753928458	ABUQYIVNTZNAAR-MNOVXSKESA-N	374.375	4.969	50	20	FJGD	
Cc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)o1	767878124	JQNACWKXMZUXDA-AWNIVKPZSA-N	356.230	4.542	50	20	FJGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)c1cc(F)cc(F)c1	773171040	LFIICSWECKJWEB-ZSOIEALJSA-N	352.365	4.878	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2cc(SC)ncn2)ccc1OCC(C)C	773178029	ZAGPVJMINPXGGE-PXNMLYILSA-N	369.490	4.696	50	20	FJGD	
CC(C)c1noc(-c2ccc(NC(=O)NNc3cccc(Cl)c3)cc2)n1	775590671	NDYKFVBZVLJBEE-UHFFFAOYSA-N	371.828	4.662	50	20	FJGD	
C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777973039	MNIXPXRTBFVZON-NXEZZACHSA-N	365.389	4.763	50	20	FJGD	
CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)CCCCCl	780719324	NIIHRNINGVFCRY-AWEZNQCLSA-N	357.903	4.555	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cc(F)ccc1OC	812239686	AMIMCPXXNPSHMW-BOPFTXTBSA-N	352.409	4.505	50	20	FJGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)c1ccc(COc2ccccc2)o1	814762123	OKCHNSHELPAVEP-GOSISDBHSA-N	374.440	4.912	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](c2ccncc2)C1	816607914	JHKFVJNVUGUJNG-IRXDYDNUSA-N	350.553	4.502	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(Cl)ccc2OC2CCCC2)cc1	817899577	MZXCIPLIQLNKKI-UHFFFAOYSA-N	374.868	4.817	50	20	FJGD	
Cc1csc(C(=O)NN=C2CCC(O)(c3ccc(C(C)C)cc3)CC2)c1	863155749	XLUDKHGLYSSTGV-UHFFFAOYSA-N	370.518	4.728	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1)c1ccccc1	917516335	SWOHIWBLGYWUDI-HDAKKWKLSA-N	360.457	4.792	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C/C=C\c1ccco1	920371488	SIRQFPXEYURBQU-BORIKDMESA-N	371.849	4.673	50	20	FJGD	
Cc1cc(NNC(=O)c2cccc(Cl)c2Cl)ccc1Br	114888887	VQHQXFRXRLZUJZ-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cncc(-c2ccc(Cl)cc2)c1	178509310	OFOJJZLLQZWIPG-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(C(C)(C)C)cc3)cs2)o1	181116039	VJGXYOGCJRUWLX-UHFFFAOYSA-N	369.490	4.695	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Cl	209227259	FCQCCQDZLSHFME-XFXZXTDPSA-N	366.726	4.784	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cn(C)nc1C1CCCCC1	588425145	SOOKGLNCEAINMG-PDGQHHTCSA-N	362.477	4.630	50	20	FJGD	
O=C(/C=C/c1cccc(OC2CCCC2)c1)NNc1cccc(Cl)c1	727677837	USBSRHVHJDCRDK-VAWYXSNFSA-N	356.853	4.818	50	20	FJGD	
CC(C)CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1ccc(Cl)cc1	728749066	DMRAUPLNCBCWCK-MRXNPFEDSA-N	367.921	4.584	50	20	FJGD	
O=C(NNc1ccccc1)c1csc(-c2ccc(Cl)cc2Cl)n1	732265885	KQDVOZKQIHTEFZ-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1cc(NNC(=O)c2oc3c(C)cccc3c2C)ccc1Br	734251334	NDBUPZAATASJJQ-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	735617141	TTXBXJNDTHUWIB-MDWZMJQESA-N	355.344	4.546	50	20	FJGD	
CC1CCN(c2cccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c2)CC1	752424025	ADCXLXTWJOJZRC-QGOAFFKASA-N	363.436	4.608	50	20	FJGD	
CC(C)(NCCP(=O)(c1ccccc1)c1ccccc1)c1cccs1	754823733	CZQOWFSUWRSEGL-UHFFFAOYSA-N	369.470	4.587	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1	763611310	YIONDFXSYNDKPZ-IUCAKERBSA-N	355.187	4.805	50	20	FJGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	765992711	FXHQUBHXZCWSFM-OAHLLOKOSA-N	372.472	4.839	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	771698474	JFVGSTPXEQQFGJ-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Oc2ccccc2Cl)nc1	771708003	WLRXCGXLNLCMSE-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	780913720	MWSMRFWPHUWICB-VHSXEESVSA-N	365.389	4.811	50	20	FJGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12	790214297	GNAIOROKCJRXIZ-UVTDQMKNSA-N	372.815	4.797	50	20	FJGD	
CSSCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	803477002	PUZALXOJLFASBJ-UHFFFAOYSA-N	374.556	4.592	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1	811471746	JEMUIMBQPHDLLV-QFIPXVFZSA-N	366.892	4.969	50	20	FJGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CCCC1(C#N)CCOCC1	844350471	VNNXIOLHZVLPEQ-GOSISDBHSA-N	366.622	4.573	50	20	FJGD	
C#CC[C@@H](CCOC)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	860896614	OYWQQQMMOKAMLM-NSHDSACASA-N	372.359	4.894	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1F)c1nc(-c2ccccc2)no1	916131566	KBJBBWYDIBUMMR-JYRVWZFOSA-N	370.181	4.702	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)C(=O)c1c[nH]c2cc(F)ccc12	917145046	GJQOOMUDANNYRT-LZYBPNLTSA-N	368.371	4.554	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(-c2ccccc2)nn(C)c1Cl	1321880389	PBPPCVNOTBTNKP-VBKFSLOCSA-N	361.832	4.839	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2F)c(C)c1	6209835	DEDJRUKIJNXLMO-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
COC(=O)c1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)oc1C	17700456	GHFTYICXWZPOBC-OVCLIPMQSA-N	364.426	4.871	50	20	FJGD	
Cc1cccc(-c2[nH]ncc2/C=C(/C#N)c2nc(-c3ccncc3)cs2)c1	103348853	XJHBANVBFOVNPG-YVLHZVERSA-N	369.453	4.968	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1occc1-c1ccccc1	128928857	UINQLUIMMAFLKL-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
Cc1coc(-c2cc(NC(=O)NNc3c(C)cccc3F)ccc2C)n1	184519910	ZIDJTVVDPCUFQU-UHFFFAOYSA-N	354.385	4.555	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)c3ccsc3)c(Cl)nc21	193346698	ZJSHMUKRQSRISB-WLRTZDKTSA-N	356.838	4.517	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2cc(Cl)ccc2Cl)c1C1CC1	270440203	AFHCKKKKBAXDMM-JTQLQIEISA-N	367.280	4.795	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccccc1	727264446	SWVLBVZUOLIVPO-ZSOIEALJSA-N	364.754	4.582	50	20	FJGD	
CC[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1cccc(Cl)c1	734659594	XTGTYHMRTOSMHP-AWEZNQCLSA-N	357.763	4.535	50	20	FJGD	
Cc1ccoc1/C=C(\C#N)C(=O)Nc1nc(-c2ccccc2Cl)cs1	742349313	DKOSNEXJUVUNSZ-XYOKQWHBSA-N	369.833	4.911	50	20	FJGD	
Cc1ccc(-c2nc(CC(=O)NNc3c(C)cc(C)cc3C)cs2)cc1	743761787	AYXAMJQEEJWBIE-UHFFFAOYSA-N	365.502	4.730	50	20	FJGD	
COc1ccc2cc(/C=C\C(=O)NNc3cccc(Cl)c3)ccc2c1	743805527	AMQDSXBUFUDQLB-POHAHGRESA-N	352.821	4.658	50	20	FJGD	
O=C(NN=Cc1cccn1Cc1cccs1)c1ccc2ccccc2c1	755653232	AJQSLBRYCZPMDL-UHFFFAOYSA-N	359.454	4.515	50	20	FJGD	
COc1cccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	762528647	MSFCUCPANBBIMN-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC[C@H]1C	767362492	SYBKOWSQDYVFRQ-CVEARBPZSA-N	372.472	4.839	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)C1CCCCC1	767715395	VGMUMFWAZCXIBO-AQTBWJFISA-N	367.449	4.641	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3C)o2)ncn1	773176060	IUBFMDMXWZQCIJ-MDWZMJQESA-N	351.406	4.970	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN(CCC#N)CCC#N)cc1	792875081	YOPJPYVUEWYVDB-UHFFFAOYSA-N	357.574	4.838	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2	794786827	UJUZWVGJXHJITC-UHFFFAOYSA-N	360.885	4.671	50	20	FJGD	
CSc1c(F)cccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	797966552	LONGQGKZYKMZGI-UHFFFAOYSA-N	363.216	4.750	50	20	FJGD	
Cc1cc(Cl)c(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	828101585	QWDMJUKJYBSUTD-UHFFFAOYSA-N	361.829	4.611	50	20	FJGD	
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	836511959	KBUAZTIWPXCARW-NEPJUHHUSA-N	358.332	4.809	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)cc1	836791048	YHKUHTVRLUAOAY-LBPRGKRZSA-N	352.356	4.508	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(N2CCCC2)cc1	915082470	LJOIUWPIFCNWTG-GOSISDBHSA-N	364.580	4.617	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(COc2ccccc2)o1	916360501	VDZAULSEUCVGDY-DLBZAZTESA-N	366.461	4.935	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1F	1319686038	FKCYQMPVYNHVGQ-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1	33392655	NCZVSSINEUMARJ-AUWJEWJLSA-N	372.660	4.985	50	20	FJGD	
CCCCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186995788	FHPLUIMUAGLVBI-UHFFFAOYSA-N	360.348	4.589	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)Nc1cccc2ccccc12	213501036	QDKPGUJXQFHIEA-UYRXBGFRSA-N	364.408	4.571	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)CC(C)C)o2)cc1	726119808	DOFARRPNJAGITE-SFQUDFHCSA-N	351.402	4.645	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)c1cc(C)nc2ccccc12	730544252	PZCJXCGJIDNRFO-UHFFFAOYSA-N	357.413	4.616	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	741851809	GSJYVOYTJSHAJD-NSIKDUERSA-N	361.228	4.685	50	20	FJGD	
O=C(NNc1ccccc1)c1cnc(-c2ccc(C(F)(F)F)cc2)s1	746682481	NPKFQLTVARGBSI-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1ccc(Cl)cc1Cl	759071149	FWPYHJVISCFMRZ-XVNBXDOJSA-N	358.637	4.649	50	20	FJGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)c3cc(Cl)cc(Cl)c3)ccc21	761200325	PMQZMYYHGCLZBM-YIXHJXPBSA-N	356.212	4.670	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCCBr)c(Cl)c1	763114991	XASZXGSNBGUNKM-ZWSXMNCCSA-N	370.674	4.636	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1	764888106	OSWNIBSIEMVKPX-WQRHYEAKSA-N	359.404	4.727	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	768267320	BCGOSAKZBZGLMB-VKRGWIQLSA-N	358.182	4.573	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cn(C)nc3-c3ccccc3)n2)cc1	771520418	LDSKLDNEEROVEN-LDADJPATSA-N	367.412	4.510	50	20	FJGD	
O=S(=O)(NC1(C2CC2)CC1)c1cccc(S(F)(F)(F)(F)F)c1	777997106	OZJNJKNZOYYFHM-UHFFFAOYSA-N	363.373	4.565	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(Cl)nc2Cl)c(C)c1	779360095	ZRPWOSQJVZNTQC-ZSOIEALJSA-N	360.244	4.859	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Br)cc2F)cc1	780803745	OHSZFIGLAVUESM-UHFFFAOYSA-N	365.246	4.643	50	20	FJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C)c2cccc3ccccc23)cc(C#N)n1C	782630089	YMAYQSLKZBHVFJ-YLRSXTQRSA-N	369.424	4.570	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)no3)sc2c1	788687206	DOKQJBODNDUVIJ-NTEUORMPSA-N	374.425	4.728	50	20	FJGD	
O=C(NNc1ccc(F)cc1Br)c1cccc(C2CCC2)c1	798981870	VVLQZYLNNJCJCM-UHFFFAOYSA-N	363.230	4.613	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805378726	VUFIVQUJTMXEBA-UHFFFAOYSA-N	371.462	4.718	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc[nH]1	818269120	ZACUQOQGQOBPGJ-UHFFFAOYSA-N	363.364	4.526	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1csc(C2CCCCC2)n1	839729779	ZHBCSYUNXCKEOL-UHFFFAOYSA-N	371.293	4.650	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12	915991646	CWZWOIRECVSJTR-GDNBJRDFSA-N	372.815	4.797	50	20	FJGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1cc2c(s1)CCC2	916315145	JBTJYYLQBINBKZ-UHFFFAOYSA-N	360.482	4.785	50	20	FJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cccc(Cl)c2Cl)c1C	916336380	DCWBNRHLOYDMPE-ZDUSSCGKSA-N	365.260	4.528	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cc3ccccc3[nH]2)c1C	1319069114	TUZDZENXDARQBR-UDWIEESQSA-N	374.488	4.562	50	20	FJGD	
COc1ccccc1C1(C(=O)NNc2cc(Cl)ccc2Cl)CCC1	1322853073	LWRBYLKCVYYHEN-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1	1786444504	UNCKYFZHYNCVSO-SFHVURJKSA-N	374.912	4.638	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1OC(F)F	23724415	VEHZWFHEMFIQSP-UKTHLTGXSA-N	368.339	4.568	50	20	FJGD	
COc1ccc([C@@H](C)N(C)C(=O)CCCC[C@H]2CCSS2)cc1	115602507	ABSHWTHDENJGFG-PBHICJAKSA-N	353.553	4.929	50	20	FJGD	
Cc1ccc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1	120473756	VJJWWKSYAXPKJG-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3c(Cl)cccc3Cl)c2)cs1	133306965	KVFVVBHLLZDRLU-UHFFFAOYSA-N	367.261	4.510	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@@H]1c1ccc2ccccc2c1	178487209	QETKENJAGDXDHW-RTWAWAEBSA-N	353.425	4.635	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](Oc2cccc(F)c2)C1	185200827	NQDMNGFYSGNZOZ-IRXDYDNUSA-N	369.527	4.520	50	20	FJGD	
N#Cc1ccc(CN(C(=O)CCCC[C@@H]2CCSS2)C2CC2)cc1	193057385	RRICWJDYWAVNEY-GOSISDBHSA-N	360.548	4.763	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@H]1CC=CCC1	193297337	TZMNYVOFEIDNSR-JTQLQIEISA-N	370.343	4.507	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC#N	212146516	TXHYGKWAZADWOY-AQTBWJFISA-N	374.440	4.685	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1csc(-c2cccc(Br)c2)n1	255342355	AQJHELFWJZVENE-GHXNOFRVSA-N	361.264	4.705	50	20	FJGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	733931067	RBPQWYRLHSWATO-CYBMUJFWSA-N	371.308	4.751	50	20	FJGD	
C[C@H]1CC(=NNC(=O)c2ccc3ccccc3c2)CCN1Cc1ccccc1	734298785	MELWNOMFUDMBJV-SFHVURJKSA-N	371.484	4.610	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1	740101028	WKGDNIBYVLICMZ-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl	741467828	CVSWCLAMXSBLFG-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(-c3ccccn3)c2)c(C)c1	747689906	APJCLDSLVXHVKO-ZHZULCJRSA-N	353.425	4.911	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccccc2Cl)cn1)c1ccccc1	748332660	NAXDVTNHBMXESI-CQSZACIVSA-N	367.836	4.632	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCCC(C)(C)C3)s2)cc1	767764690	MFGVHUHCRPXDFC-UHFFFAOYSA-N	371.506	4.692	50	20	FJGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)c1ccc(F)c(Cl)c1	773155134	QDCDFWDOXBHECK-YFHOEESVSA-N	354.690	4.683	50	20	FJGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)C(=O)c1cc(F)cc(F)c1	773171039	LFIICSWECKJWEB-RIYZIHGNSA-N	352.365	4.878	50	20	FJGD	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)/C(C#N)=C/c3ccccc3)o2)cc1C	785366507	PVZLYZSEJQQRGJ-PUMYGXPMSA-N	373.412	4.565	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C(F)(F)F)c1	794865719	LBNVPVVZQAKGMC-LCYFTJDESA-N	356.351	4.712	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)cccc2Br)s1	794875622	SIDYBNHVIKNMND-YFHOEESVSA-N	350.212	4.748	50	20	FJGD	
O=C(NN=CC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1	799864039	JDEDZXOROVWNOS-UHFFFAOYSA-N	350.368	4.513	50	20	FJGD	
CSC1(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1	800806856	MRNLJDIUILTZEM-UHFFFAOYSA-N	374.893	4.530	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](CC)c2ccc(F)cn2)c1C	808947087	DAMIJRWKZKMMBX-FVECTHPASA-N	369.440	4.651	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCc3occc32)c1C	913090864	WDDSGLFSBCBTSJ-ITICKHJUSA-N	365.477	4.599	50	20	FJGD	
CC(C)Oc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	914493413	XVQLZPINURNALX-QGZVFWFLSA-N	353.553	4.804	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1Cl	1345143517	YEQQKCHPZCUZDD-GZTJUZNOSA-N	361.832	4.683	50	20	FJGD	
O=C(O)c1cccc(C(=O)NN=C(CC2CCCC2)CC2CCCC2)c1	1776096825	SZTCPPYWNZURDC-UHFFFAOYSA-N	356.466	4.631	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1OC	16441540	WMHQAYKUCSHAPA-LFIBNONCSA-N	360.413	4.755	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc(Cl)c1OC	57816549	XOEXTLLUNVBFRO-VGOFMYFVSA-N	367.788	4.893	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc(C#N)cc2)cs1	66407918	VVCXGWOQKJOFKP-RQZCQDPDSA-N	371.421	4.517	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cccc(OCc3cccs3)c2)c1	150827265	PIZCFIVGGNRVNT-UHFFFAOYSA-N	356.422	4.532	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	174052692	GAKOYKNTYYTHCQ-XNTDXEJSSA-N	374.412	4.693	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)co2)cc1	176854322	POWMAFMLPRUULY-WOJGMQOQSA-N	357.413	4.813	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1SC	214931659	XWDWNANILSAOIC-MHWRWJLKSA-N	352.459	4.580	50	20	FJGD	
O=C(CSCc1cccc(Cl)c1)NNc1cccc(C(F)(F)F)c1	301218132	LLIOVCQTOXNHEC-UHFFFAOYSA-N	374.815	4.735	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)CCCC(=O)N2	728552071	SHMOOLWNWWKBAY-OAHLLOKOSA-N	364.536	4.614	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1cccc(OCc2ccccc2)c1	728698604	LQVRWMRJGJIKRB-KTKRTIGZSA-N	366.848	4.597	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](Cc2ccc(F)cc2)C1	736586843	IOAONIQNFMJIIY-SJLPKXTDSA-N	367.555	4.931	50	20	FJGD	
Cc1nc(C)c(C=NNC(=O)Nc2ccc(-c3ccccc3)cc2)s1	741765649	JAWUWACZYMEHPG-UHFFFAOYSA-N	350.447	4.583	50	20	FJGD	
CCc1ccc(-c2ccc(C(=O)NNc3nccc4sccc34)o2)cc1	743415650	BSKPZADGSGHACG-UHFFFAOYSA-N	363.442	4.876	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccccc2Cl)c(Sc2ccccc2)n1	748316823	DXJCUBSRFKHEQW-UHFFFAOYSA-N	369.877	4.952	50	20	FJGD	
Cc1cc(NNC(=O)[C@H](C)c2ccc(Cl)s2)ccc1Br	750242196	QJYJWLYUBWBYMA-SECBINFHSA-N	373.703	4.719	50	20	FJGD	
CN(C[C@H](O)C1CC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762969083	SGNGJCSTNSAGBN-LBPRGKRZSA-N	360.348	4.579	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(-c3ccccc3)nn(C)c2Cl)cc1	764922291	XNIICUNPVXYOJW-SFQUDFHCSA-N	361.832	4.839	50	20	FJGD	
C[C@@H](CBr)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1	770654640	FOMRZYLIEPXZSH-NSHDSACASA-N	371.706	4.692	50	20	FJGD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCCC[C@H]1CCSS1	780757346	WSAWAWAXVDVHPG-AGIUHOORSA-N	355.491	4.890	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1	782451201	MQPZKFPVEYKCAE-HNDQUVLASA-N	368.433	4.582	50	20	FJGD	
C=CCN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	783395911	PYVJYVLDCDCYNQ-UHFFFAOYSA-N	372.359	4.706	50	20	FJGD	
N#C/C(=C\c1cccc(Br)c1)C(=O)c1ccc(Cl)s1	783688279	VHKGUFHXWALJHJ-UXBLZVDNSA-N	352.640	4.954	50	20	FJGD	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cc(-c2ccccc2)on1	794780174	AUKUSFJNDNVLGU-UHFFFAOYSA-N	359.429	4.785	50	20	FJGD	
N#C/C(=C/c1ccnc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1	798232027	NOPFZOXMYXVWHI-YFHOEESVSA-N	352.608	4.587	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C#N	799496987	CBRYIBIQALIRHE-QGMBQPNBSA-N	368.421	4.626	50	20	FJGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	799872565	URQFCLHCNBXZEO-NVVZYBJKSA-N	367.820	4.658	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1ccc(C2=CCCC2)cc1	810042379	RSABMRBTEDCFDJ-UHFFFAOYSA-N	357.251	4.773	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(C2CCCCC2)n1	812246744	TUEBSKBRXPUHBT-ZROIWOOFSA-N	360.383	4.946	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)F)c1C	824090907	RVOPBCKRQOVLMB-WJDWOHSUSA-N	357.404	4.998	50	20	FJGD	
C[C@@H]1C[C@H](O)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	836498656	SLNQVGCHTZKQCR-KOLCDFICSA-N	360.348	4.579	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2cccc(Cl)c2C1	837914343	BSAALUWSZZHUII-AWEZNQCLSA-N	355.956	4.939	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccc(C)o2)cc1OC	840721228	BPNSWJJHCHWOSC-RIYZIHGNSA-N	359.809	4.829	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3sccc3C)cs2)cc1	915989718	GJTQDKOAGUOWLE-ZROIWOOFSA-N	366.467	4.979	50	20	FJGD	
Cc1nccnc1CCNCc1cccc(S(F)(F)(F)(F)F)c1	922147366	UIWXMYPNBIVORT-UHFFFAOYSA-N	353.360	4.775	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3cccn3C)o2)c(C)n1CCC(C)C	1324065090	GQCLNTDUFIWHQU-LDADJPATSA-N	363.465	4.604	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(C)c1	7159732	GUYSIIMFXZLRBJ-CXUHLZMHSA-N	369.262	4.920	50	20	FJGD	
Cc1nc(NC(=O)CCCC[C@H]2CCSS2)sc1SCC#N	53650643	RURNKJXFFIVIBC-NSHDSACASA-N	373.594	4.720	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	127365539	BLBDQUYLVDIXHV-YFHOEESVSA-N	363.248	4.560	50	20	FJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1cc(Cl)ccc1Cl	171350058	MXPAKQWKTCGRSG-UXBLZVDNSA-N	352.608	4.587	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(C2SCCS2)cc1	175426500	CIAXWYVRWONFNL-UHFFFAOYSA-N	368.886	4.715	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccnc1	207691964	XFRSRKRHHBUAKZ-MOSHPQCFSA-N	369.424	4.515	50	20	FJGD	
O=C1[C@@H]2CCCCN2C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1	277964512	GITCTCDUEKIBHT-NSHDSACASA-N	356.316	4.665	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc(Cl)c1O	588424541	FYKVGQNVJPDMFY-WTKPLQERSA-N	354.214	4.559	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2OCc2cccnc2)cc1	588467738	OERMTRCKZBZYHI-BKUYFWCQSA-N	354.409	4.759	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)c1nc2cc(F)ccc2s1	730148883	OKSHLJAETRQNMM-WZUFQYTHSA-N	372.808	4.924	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)N(C)C3CCCCC3)cs2)cc1	732716741	XRXWNWGOGDLMKC-ATVHPVEESA-N	365.502	4.817	50	20	FJGD	
CC[C@@H](NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccccc1	732917898	RRLRCDSPDFLWLF-QGZVFWFLSA-N	351.475	4.504	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1	733362979	DBSKJNTWRHNFEU-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(-c3ccccn3)c2)cc1	747691873	XAILRIUNROBJPF-CYVLTUHYSA-N	369.424	4.693	50	20	FJGD	
C[C@@]1(CO)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752984995	IKNHISUPZGQBNV-ZDUSSCGKSA-N	360.348	4.723	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(COC)cc2)c1C	767212859	SFIVRXAVBWLSGD-MOSHPQCFSA-N	365.477	4.597	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	777476444	GGLRKPBKVNAHHR-MRXNPFEDSA-N	373.378	4.723	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)C1CCCC1	781554785	WACVZYSCVKMWNU-RAXLEYEMSA-N	360.244	4.845	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1ccccc1Cl	787167895	GXLKQLCJILYSSG-AYMWWVTDSA-N	367.792	4.740	50	20	FJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1ccc(Cl)c(OC)c1	790175561	PFZBQSYDDDBACH-UHFFFAOYSA-N	371.289	4.871	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)c1nc2ccccc2n1C(F)F	794937411	INSIOQRWCZAESL-ZSOIEALJSA-N	367.355	4.811	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1SC(F)(F)F	799757437	WYAJMKFSKFHUGT-UHFFFAOYSA-N	354.397	4.926	50	20	FJGD	
Cc1cc(Br)c(C(=O)NNc2ccccc2Cl)cc1Cl	804467373	AEUAKKFCAIBVHK-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C\c1ccc2oncc2c1)C(=O)Nc1ccc(Cl)cc1Cl	821030550	AHEUUIKWLMCQPG-VZUCSPMQSA-N	358.184	4.680	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1	831631644	LVOXMYFCGNNOCK-PLACYPQZSA-N	371.597	4.594	50	20	FJGD	
O=S(=O)(NCC1CC=CC1)c1cccc(S(F)(F)(F)(F)F)c1	859275486	MPMQGBBAPKBMPL-UHFFFAOYSA-N	363.373	4.589	50	20	FJGD	
CC(=NNC(=O)Cc1csc(C)n1)c1ccc(SC2CCCC2)cc1	914692617	TZVTYTXXDHTUIS-UHFFFAOYSA-N	373.547	4.569	50	20	FJGD	
COc1ccc2c(c1)c(C(=O)NNc1cc(C)ccc1C)c(C)n2C1CC1	1319387303	SMPMOTXVZUROTF-UHFFFAOYSA-N	363.461	4.667	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cccc(Cl)c2)cc1OC	30610400	BQWOFVOVTQFOGC-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1csc(COc2ccccc2)n1	60421920	PVUTZFDWAVXEHT-ZROIWOOFSA-N	366.467	4.882	50	20	FJGD	
CC[C@@H](C)N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181673389	HXFJXMXLPGWFRH-SECBINFHSA-N	353.378	4.763	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1Br)c1cnc2ccccc2n1	195314736	JMGKNKJJXZGLFM-DHZHZOJOSA-N	354.182	4.596	50	20	FJGD	
Cc1cccc(NNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)c1	195618881	ULQYLJAAAMQTOT-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2OC(F)F)c1C	212094229	ODIXVJOAFUWUST-WJDWOHSUSA-N	358.388	4.906	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OC)cc1	213945900	DPPNCAOFFMRQSL-JXAWBTAJSA-N	364.445	4.592	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cn(-c4ccccc4)nn3)n2)cc1	728700999	ZWLTXFMARSYHCF-BOPFTXTBSA-N	369.453	4.763	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1C(F)(F)F	743336556	IZPOALPWMVRTDF-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2cccc(Cl)c2o1	747588269	FUSSFQLEATULBV-UHFFFAOYSA-N	354.715	4.862	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1	748562575	UJEQKDBPBUHHBP-OAHLLOKOSA-N	354.347	4.790	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccncc2)c1C	757680467	YTDSRXDNUOOTDN-IZQLPPHKSA-N	351.450	4.511	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc(Cl)c1OC	764892638	XQQPWIPDOBTKRK-CXUHLZMHSA-N	355.821	4.846	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)cc(Br)c2F)c1	768093865	QUGIYKUFNVLXFG-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1Cl	769226164	QHKKFGXNHNLWMH-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1OC	772177276	SMRQNWWMRXWOMD-VIZOYTHASA-N	357.356	4.552	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1OC	773145173	POBZPCTXEWRVAY-OQLLNIDSSA-N	371.795	4.842	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)c2cc(SC)ncn2)cc1	773176904	RJJZSDNMSNHOPP-BOPFTXTBSA-N	359.454	4.938	50	20	FJGD	
Cn1ccnc1-c1cccc(NCc2ccc(OCCCCl)cc2)c1	798185464	URYXKZCGEJILTD-UHFFFAOYSA-N	355.869	4.707	50	20	FJGD	
Cc1sc(Br)c(C(=O)NNc2cccc(Cl)c2)c1C	799541904	ZPYUQHKQCYGWAS-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1[nH]c2ccccc2c1Br	799754650	NNJABWRBYKQBBQ-UHFFFAOYSA-N	372.266	4.558	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)cc1	811480196	SUTKAKIXNQXJTF-QFIPXVFZSA-N	373.924	4.952	50	20	FJGD	
COC[C@H](NCc1ccc(OCCCCl)cc1)c1ccc(Cl)cc1	811497374	YJUBPVNNKZKHQA-IBGZPJMESA-N	368.304	4.825	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)ccc1Oc1cccnc1	812244575	FJBZJDQCHGISBF-YBEGLDIGSA-N	358.357	4.550	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@H](C#N)C3)cc2C1	814758812	IPYBBLKFOJKRFM-DZGCQCFKSA-N	357.523	4.699	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC	864921738	SOTCMUFUWVUUDA-NVNXTCNLSA-N	370.836	4.520	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc2ccccc2c1	916346401	ZHACNUGVJVNZMG-UHFFFAOYSA-N	352.434	4.611	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1	917619685	PJUOVBZDLXHMGX-SSZFMOIBSA-N	359.429	4.850	50	20	FJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc3ccccc3c2)cc(C#N)n1C	920154568	PTEBQINIGZRLRE-SJJOQSKNSA-N	369.424	4.570	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c(OC)c1	921138623	VSDLCTRXFNYCCT-WLRTZDKTSA-N	362.212	4.800	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)C2CCCCC2)c1C	923147901	VCNVKEGBGWCCMZ-MOSHPQCFSA-N	370.493	4.505	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1cnc2ccccc2n1	1320699548	FXXJXJCLOHOLJT-WJDWOHSUSA-N	367.364	4.652	50	20	FJGD	
Cc1coc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C	1324359514	JXQXFXFOSOHHAF-UHFFFAOYSA-N	366.261	4.691	50	20	FJGD	
N#C/C(=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	1037331	WYDBVFCEJFGPJH-WQLSENKSSA-N	372.660	4.985	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccsc3)n2)cc1	63275860	QYSGWZTTWMIPKB-ZSOIEALJSA-N	351.456	4.726	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	65999290	RYDZPHLNJWFPQP-KAMYIIQDSA-N	371.223	4.551	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1sc2ccccc2c1Cl	172088525	BTCFTKHJZPERHV-UHFFFAOYSA-N	356.756	4.729	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)CCc2ncc(-c3ccccc3)o2)cc1	181129081	HRGVWVZVCSPVNJ-UHFFFAOYSA-N	363.461	4.715	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1)c1ccccc1	732716571	VRFUJUDQQXFYCJ-UKTHLTGXSA-N	362.763	4.511	50	20	FJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)[C@@H]1CC=CCC1	742005220	OVWGSFZXUJSKJQ-MRVPVSSYSA-N	364.070	4.555	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc3cc(Br)ccc3c2)c1	746296832	QZTGMDNPWKQDMJ-UHFFFAOYSA-N	355.235	4.668	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cccnc2Cl)c1C	750636089	CLCAAIAIZZWLQR-WOJGMQOQSA-N	371.868	4.604	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1c(F)cccc1Cl	753168125	HDULIYKVPBVAMQ-UHFFFAOYSA-N	371.637	4.561	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(F)c3cccnc23)c(C)c1	759116124	MBQDQNUGMMNORO-BOPFTXTBSA-N	359.404	4.845	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1O	762689490	SDUYBJOSYKHPOH-OCKHKDLRSA-N	365.477	4.629	50	20	FJGD	
CN(Cc1ccon1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762976663	WITKRYIOQSLMPF-UHFFFAOYSA-N	357.304	4.996	50	20	FJGD	
COc1ccc(Br)c(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1	764883622	AQCBGQKWQOZYOQ-OQLLNIDSSA-N	356.219	4.556	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(C)c(C)c1Cl	783589212	ITXWZIUQECLQIE-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	786039650	FKQIJYJDIIZRHI-GDNBJRDFSA-N	351.880	4.758	50	20	FJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)NCc1cccc(Cl)c1	786044348	KNGGHQJGIKIOOC-JAIQZWGSSA-N	373.843	4.625	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc1	810250421	HVMYSELLZINSQA-GHXNOFRVSA-N	351.759	4.884	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1Cc2cccc(C)c2O1	839235665	KFUSLTQDLBQVQJ-SFHVURJKSA-N	366.486	4.635	50	20	FJGD	
NC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841189964	KOYXWQZTOZQVJV-ZWNOBZJWSA-N	373.391	4.983	50	20	FJGD	
CC[C@@H](C)NC(=O)[C@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	842164813	ZJWMDECTFUFBMU-MNOVXSKESA-N	360.392	4.737	50	20	FJGD	
C[C@@]1(CNC(=O)N(c2ccccc2)c2ccccc2)C[C@@H]1Br	856754738	MQYHQDMCIJLLIS-WMZOPIPTSA-N	359.267	4.708	50	20	FJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3cc(C)cc(C)c3)c(C)c2c1	857490416	FSZYVESQPCLTOK-UHFFFAOYSA-N	364.445	4.637	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C#N)c1C	893175275	FFTBETFIJYRALT-RQZCQDPDSA-N	366.490	4.611	50	20	FJGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	914702482	HSEFXYYYMVDEPU-OJLMPMFISA-N	361.850	4.554	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cnc3ccccc32)cc1)C(=O)c1ccsc1	915989763	MYTRKQTWDVICHK-GZTJUZNOSA-N	355.422	4.877	50	20	FJGD	
CCC(C=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)CC	916293946	OZCWLLUDZIGBCB-UHFFFAOYSA-N	370.522	4.538	50	20	FJGD	
O=C(NN=Cc1cccc(Br)c1)c1ccc(Cl)cc1Cl	916359855	CZBBEBNPJHSHLS-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)Cc2ccccc2F)c1C	1317784984	JOPLOOHTMCTNLH-MOSHPQCFSA-N	367.468	4.610	50	20	FJGD	
CCn1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cc2ccccc21	1338618012	FOIFTQQRDGCQMM-UHFFFAOYSA-N	364.836	4.620	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc1OCC	22348634	YKYQKIGEVFIWJV-LDADJPATSA-N	365.429	4.673	50	20	FJGD	
COc1ccc2nc(NC(=O)CCCC[C@@H]3CCSS3)sc2c1	25402945	ILWJYODRDYCLBE-GFCCVEGCSA-N	368.549	4.958	50	20	FJGD	
COc1cc(C(=O)NNc2c(Cl)cccc2Cl)ccc1OC(C)C	133401364	AJDGPRVIYGDFGQ-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1ccsc1	171880307	YSLACDKRXBMGFS-AWNIVKPZSA-N	367.411	4.570	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1c(F)cccc1F	176397540	UKUDEYWNWMSFFQ-UHFFFAOYSA-N	360.429	4.844	50	20	FJGD	
Cc1nn(C)c(C)c1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186048026	FHAFFWMQYPTKLH-UHFFFAOYSA-N	355.332	4.947	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@@H]2CCSS2)[C@H]1c1ccncc1	293963447	PWDSJMRQBKAFTG-WBVHZDCISA-N	350.553	4.705	50	20	FJGD	
C/C(C=NNC(=O)Cc1nc(-c2ccccc2)cs1)=C\c1ccccc1	730568081	BZHRJYQPBFLNDT-MOMIPYRTSA-N	361.470	4.558	50	20	FJGD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)CCCC[C@H]2CCSS2)C1	732134842	AWRNGYKKJCQEMN-IRXDYDNUSA-N	372.644	4.717	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(-c3ccccc3)cs2)cc1	734304376	IBSXQKGGLXOEQP-ODLFYWEKSA-N	358.466	4.947	50	20	FJGD	
O=C(NNC(=S)Nc1ccc2ccccc2c1)c1cccc2ccccc12	741492786	LQQJKDJMTFIMAP-UHFFFAOYSA-N	371.465	4.624	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(OC(F)F)cc1C	742347286	YAXXKFCAVLULKB-LZNAANCOSA-N	370.399	4.689	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1Cl	743807011	JLRATHKUFKOFRW-UHFFFAOYSA-N	362.163	4.743	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1	748011856	FOZXNYNQXUJIMW-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
Cc1cc(NC(=O)NNc2c(C)cccc2F)ccc1Oc1cccnc1	771126872	JRILTNCYGGTLAY-UHFFFAOYSA-N	366.396	4.778	50	20	FJGD	
Cc1cc2occ(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)c2cc1C	771431623	KWCZSUXAIUGPTL-UHFFFAOYSA-N	373.334	4.697	50	20	FJGD	
CC[C@H](C(=O)NNc1ccc(Cl)cc1Cl)c1ccc(OC)cc1	775781311	IZGFZTFTZBMQRD-AWEZNQCLSA-N	353.249	4.639	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC(F)(F)C1	776466036	LBYKMDWRSAKTSZ-JTQLQIEISA-N	374.762	4.779	50	20	FJGD	
C[C@H](C(=O)NNc1ccc2ccccc2n1)c1ccccc1C(F)(F)F	777467161	WZUZMKSHCYMGFO-LBPRGKRZSA-N	359.351	4.500	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(Oc2ccccc2Cl)cc1	778451753	TVMUEIMYEDJIIU-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	779193057	DWYGFDZOEXJQEU-UHFFFAOYSA-N	369.852	4.513	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1	780803973	VANPGZJINDVXSU-UHFFFAOYSA-N	353.510	4.583	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)C1CCCC1	781555501	JZVKIKSBMYCSIK-WOJGMQOQSA-N	367.880	4.868	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2cnc3c(C)cc(Br)cn23)sc1C	783711180	UZTLYHZKDKDAMA-XGICHPGQSA-N	373.279	4.543	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc2cccnc12	783712541	HAMMETGEGQEXAP-WJDWOHSUSA-N	364.351	4.935	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	793707223	UUOAAPCBQHCJDU-UHFFFAOYSA-N	357.413	4.869	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	812767934	WVRBAMJNDUNXIX-UHFFFAOYSA-N	367.493	4.667	50	20	FJGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1cc(C)nc2ccccc12	814213812	JASPJXBSMOXLMC-CMZALBKUSA-N	373.456	4.509	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(-c3ncco3)c2C)cc1	816797618	MIMJVZUONBJVEY-GHRIWEEISA-N	373.412	4.594	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(Cl)n2)oc2c1ccc1ccccc12	817011960	RAXNNULAONHYPJ-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc([C@H]2CCOC2)cc1	818731063	OAJSCHJAXSNXKV-RDJZCZTQSA-N	351.537	4.843	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NNc1cc(Cl)nc(Cl)c1	819741447	MTUPDZNSTJKVMD-JTQLQIEISA-N	366.339	4.546	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c(C(C)C)nn(C)c2Cl)cc1	915984490	HXYYVYHCTNETQR-LFIBNONCSA-N	355.869	4.939	50	20	FJGD	
O=C(NN=Cc1ccccc1N1CCCCC1)c1ccc2ccccc2c1	917547048	YUHJTIGJERYWFY-UHFFFAOYSA-N	357.457	4.594	50	20	FJGD	
O=P(CCN1CCC[C@H]1C1CCCC1)(c1ccccc1)c1ccccc1	917836294	MDXCLPBRUZXFRH-QHCPKHFHSA-N	367.473	4.655	50	20	FJGD	
N#C/C(=C/c1csc2ccc(C(=O)O)cc12)c1ccc([N+](=O)[O-])cc1	1776131567	VHKZMUHGRIFEHC-QPEQYQDCSA-N	350.355	4.572	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CCC[C@H](C(=O)O)C2)c1	1776269148	VNZWEZUALYQOEF-DLBZAZTESA-N	363.574	4.804	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)n1	211691003	CHORIPDXKBJNER-WMZJFQQLSA-N	358.316	4.719	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	212116346	VJFZGWBJWKEQBC-FLIBITNWSA-N	350.415	4.917	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1O	274065040	QSXRURXJSVEWGB-BXKDBHETSA-N	360.348	4.579	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3[nH]ccc23)c(C)n1CC(C)C	726946555	BIOBLZSSHKETDI-WQRHYEAKSA-N	360.461	4.788	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F	727653980	DKQNZAGIPBJRHN-RQZCQDPDSA-N	374.444	4.951	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2cccnc2)c(C)n1CCC(C)C	733415326	RMVZVPYRAWYEKP-IUOVYFEOSA-N	365.477	4.757	50	20	FJGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1ccc(O)c(Cl)c1	734095928	BDVXZFUBFKEOCT-UHFFFAOYSA-N	364.832	4.593	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(CC)C3CC3)cc2)cc1	741160506	RAGVXLGYGAQHBO-UHFFFAOYSA-N	366.461	4.570	50	20	FJGD	
Cc1ccc(O[C@@H](C)CNC(=O)CCCC[C@H]2CCSS2)cc1	742717993	KLFDTFULFAYTLP-RDJZCZTQSA-N	353.553	4.593	50	20	FJGD	
CCCc1c(C(=O)NNc2ccccc2Cl)cnn1-c1ccc(C)cc1	760463461	RDFMOKBNDUONRQ-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)cc3cccnc23)c2ccccc2n1	763122715	ZVVZANQYMPQQOB-UHFFFAOYSA-N	374.831	4.509	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(OCC2CC2)cc1	763608923	IESKAWDXBZWZKE-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
Nc1c(Cl)cc(C(=O)NNc2cc(Cl)ccc2Cl)cc1Cl	764460318	FRMVKGKIUMYPNY-UHFFFAOYSA-N	365.047	4.639	50	20	FJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)c1ccc(F)c(Cl)c1	773162678	WRAQQIYKEHHOGH-WZUFQYTHSA-N	360.175	4.570	50	20	FJGD	
O=S(=O)(NCCC1CCC1)c1cccc(S(F)(F)(F)(F)F)c1	778000815	YWLUXVVRKZCKDK-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)c1cccc(C(F)(F)F)c1	780527963	QKYLETTYYAMWSS-NYYWCZLTSA-N	355.237	4.913	50	20	FJGD	
N#C/C(=C\c1nc2c(s1)CCCC2)C(=O)c1cccc(C(F)(F)F)c1	782368389	DSCIFIVRDVXDSZ-FMIVXFBMSA-N	362.376	4.831	50	20	FJGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)c1C	788329441	WCIAHXXFIBIVJE-WQRHYEAKSA-N	364.470	4.756	50	20	FJGD	
Cc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)oc2c(F)cccc12	791734380	TXCASCJRDFNVEA-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
N#Cc1ccccc1/C=C\C(=O)NNc1c(Cl)cc(Cl)cc1Cl	799444759	WFCGGUYWFZHGDH-WAYWQWQTSA-N	366.635	4.675	50	20	FJGD	
CCOc1ccc(NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1	817916055	XWTJEZMLSYYLHC-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
CO[C@H](C)c1nc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cs1	844335563	FJIYJANHIWTIQP-GDBMZVCRSA-N	370.635	4.837	50	20	FJGD	
CC(C)c1ncc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)s1	846378581	ISHJTOURQJYRDG-UHFFFAOYSA-N	363.792	4.696	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(O[C@H]3CCOC3)cc2)s1	849178820	HTROHUOERVOXFK-MJSCBBHESA-N	354.475	4.672	50	20	FJGD	
CC(C)(C)n1nnc(CCNc2cccc(S(F)(F)(F)(F)F)c2)n1	853060959	OJBHOTPXEDGPKW-UHFFFAOYSA-N	371.379	4.740	50	20	FJGD	
C/C(C=NNC(=O)c1ccccc1Cl)=C/c1ccccc1OC(F)F	1323979323	ARRORLBEDLVBJV-RTVIBEEKSA-N	364.779	4.761	50	20	FJGD	
CC(C)C[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776319220	YERNMMKESRJVEM-KRWDZBQOSA-N	351.563	4.660	50	20	FJGD	
O=C(COC(=O)CCCC[C@H]1CCSS1)Nc1cccc(Cl)c1	6399039	BVAMHBPJFDGGNB-AWEZNQCLSA-N	373.927	4.536	50	20	FJGD	
N#C/C(=C\c1cc2ccccc2o1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	11292297	RMKCQIHWTJYXEN-JLHYYAGUSA-N	373.437	4.674	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(SC(F)F)cc1	11648667	ANNVFCBAPXYEKN-UHFFFAOYSA-N	362.323	4.777	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NNc1ncc(Cl)cc1Cl	133015535	RODHMRODYMSVGS-JTQLQIEISA-N	366.339	4.546	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@@H]1c1cccc2ccccc12	178488638	OUHIKDGAXNRDOY-NHCUHLMSSA-N	353.425	4.635	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	186855235	AAHVLXFNJMOAQS-XSFVSMFZSA-N	369.424	4.611	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2ccc(OCc3ccncc3)cc2)ccc1[N+](=O)[O-]	255111263	DNSFIDISHHITNV-DEDYPNTBSA-N	371.396	4.941	50	20	FJGD	
Cc1cccc(NNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1	729268879	BNNUWCRCZOMARN-UHFFFAOYSA-N	367.474	4.663	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	750687638	XITXUOJHOQDEAB-JOYOIKCWSA-N	352.809	4.780	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(Cl)c(OC)cc2Cl)c1	753887494	KUOTUFFTTAYKLS-MLPAPPSSSA-N	362.212	4.800	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(F)c(C#N)c3Cl)c[nH]c2c1	761387470	WXKDBSPDMBJCDS-NTUHNPAUSA-N	363.779	4.930	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl	761392919	QSBNELRASMIVFJ-JYRVWZFOSA-N	363.779	4.930	50	20	FJGD	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNc1cc(Cl)ccn1	768393395	XTNICBSEVPQDNT-VQHVLOKHSA-N	356.640	4.588	50	20	FJGD	
C=CC[C@@H](C(=O)NNc1ccc(Br)cc1C)c1ccccc1	779012659	QFEOCJDOCQZLHH-MRXNPFEDSA-N	359.267	4.561	50	20	FJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cc1	781946268	DOZQAVGVUHIIMA-UHFFFAOYSA-N	366.035	4.844	50	20	FJGD	
N#C/C(=C/c1cc(C(=O)O)cs1)c1nc(-c2ccc(C#N)cc2)cs1	782199593	HVVYHPCEUUZUFC-ACAGNQJTSA-N	363.423	4.506	50	20	FJGD	
O=C(NNc1ccc(Br)c(F)c1)c1cccc(C2CCC2)c1	798992284	NGIVINLLIXAGDJ-UHFFFAOYSA-N	363.230	4.613	50	20	FJGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(C2CCCCC2)cc1	805464032	AAQKJLPHDLJVAR-UHFFFAOYSA-N	350.466	4.549	50	20	FJGD	
CC(C)c1scnc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377650	YSKNZILXUWPCTI-UHFFFAOYSA-N	363.792	4.696	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1	853897131	XFNDGEOQAYZOLH-SNVBAGLBSA-N	367.513	4.548	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1c(Cl)cnn1CC	857574428	PEESWABCIKJZMW-UHFFFAOYSA-N	362.886	4.507	50	20	FJGD	
CC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccs1	916284440	DNSWQKFIPYKQJC-UHFFFAOYSA-N	372.453	4.512	50	20	FJGD	
CC(=O)N[C@](C)(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)C	935401025	RGOLWZSBPOURSP-AWEZNQCLSA-N	374.375	4.833	50	20	FJGD	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)NNc1cc(F)c(F)c(F)c1	1322857510	QKPVAOKMYCUFRP-UPHRSURJSA-N	361.150	4.567	50	20	FJGD	
CCCC[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776776063	BKOMEZZPJMIVHH-KRWDZBQOSA-N	351.563	4.804	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2OC)CC1	1776779148	YRGAEDGPQIISBO-CPNJWEJPSA-N	369.461	4.866	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c(Cl)c1OC	171670689	JODRERDWWHTKPA-NTEUORMPSA-N	367.788	4.893	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2Oc2ccccc2C#N)c1	182362917	FUFBGPBAEBDTAD-UHFFFAOYSA-N	357.413	4.724	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	184389992	CFRCHUNKIHAHMV-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
O=S(=O)(Nc1nccs1)c1cccc(S(F)(F)(F)(F)F)c1	187998826	RQFOPPBUTAVLMT-UHFFFAOYSA-N	366.358	4.601	50	20	FJGD	
CCN1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	273911008	AKFQUXVNXOGQCQ-UHFFFAOYSA-N	373.391	4.904	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@H](C)CC)ccc1OCC(F)(F)F	726427930	BFDSTQDWYHBYIA-ZBQKXELDSA-N	355.356	4.549	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	741474642	XTFQRUVJOVIOSG-WZUFQYTHSA-N	359.216	4.646	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1	741840061	DVVXGHXKYFYLDG-LCYFTJDESA-N	362.763	4.530	50	20	FJGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747598986	LYNXFTMXKWRDRW-LBPRGKRZSA-N	352.356	4.640	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3cccc4cnccc34)ccc2c1	748769142	CMVQWXBVPXEVDH-HNNXBMFYSA-N	371.440	4.643	50	20	FJGD	
C[C@H](CCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	750428101	ITTRHXZFBHTDNN-CYBMUJFWSA-N	361.367	4.604	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)C(=O)Nc1nccs1	750896687	RDSQCKBOHTZEJW-XFXZXTDPSA-N	355.419	4.556	50	20	FJGD	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H](Br)C(C)(C)C)C1	768192130	LDCPOTUBKPXEBY-DFBGVHRSSA-N	356.279	4.545	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H]1CCOC2(CCCCC2)C1	769175121	LCVUXROSNLYKNA-CYBMUJFWSA-N	372.296	4.501	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccccc1SC(F)F	769932510	UYUIUETXXDJQSX-UHFFFAOYSA-N	366.418	4.760	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)C(=O)c2cccc(F)c2)c1Cl	773173926	ZJEVSOYRCMXTSS-RVDMUPIBSA-N	365.795	4.669	50	20	FJGD	
CC[C@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777999072	JMKXXGLOFZLAIP-JTQLQIEISA-N	365.389	4.765	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3cc(Cl)ccn3)cs2)cc1	778453371	SZLVCIPZPALFIA-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
Cc1ccncc1/C=C/C(=O)NNc1c(Cl)cc(Cl)cc1Cl	783695053	RSPQGRLUFPMINE-NSCUHMNNSA-N	356.640	4.507	50	20	FJGD	
Cc1c(C(=O)NNc2cccc3c2CCCC3)sc2ccc(C#N)cc12	815853897	FXSGUYIVVGRHCK-UHFFFAOYSA-N	361.470	4.717	50	20	FJGD	
C[C@@]1(CCNC(=O)CCCC[C@H]2CCSS2)CC1(Cl)Cl	836914688	JEZWHEAMOIQZFZ-WCQYABFASA-N	356.384	4.791	50	20	FJGD	
O=C(NC[C@@H]1CCCCN1)Nc1cccc(S(F)(F)(F)(F)F)c1	841189069	DVWITRMEQYKGBT-NSHDSACASA-N	359.364	4.608	50	20	FJGD	
NC[C@H]1CC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189516	HZLVZBCHSGOFHO-GXSJLCMTSA-N	359.364	4.593	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(COc2ccccc2)cc1	865977764	GEZVCHUPWSNADC-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-n3cccn3)cc2)cc1	884003888	RUYWLPCJLDIFIL-SWEXZPIWSA-N	370.456	4.931	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916362139	QXCFTOBDBFSBQE-UHFFFAOYSA-N	370.865	4.612	50	20	FJGD	
CCN1CCN(C(=O)CCCC[C@@H]2CCSS2)c2ccccc21	1318435036	VIYXNSOSCRNTAQ-OAHLLOKOSA-N	350.553	4.574	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc(-c2ncco2)c1	120209130	VWTXHYDLMHZSFR-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(Cl)cc(C(F)(F)F)c1	132693818	JNJLKCDEXFXCRV-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc2noc(-c3ccc(F)cc3)c2c1	153215379	RHIZOUSHMZWSDI-UHFFFAOYSA-N	365.339	4.530	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(OC)cc(OC)c1	175632728	FITJWHFRZQWJTL-UHFFFAOYSA-N	370.474	4.654	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1OC(F)F	176918111	NCZWPEPBTTVYRQ-WUXMJOGZSA-N	350.390	4.941	50	20	FJGD	
C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183477176	WLKAMNRQPGNOAY-SECBINFHSA-N	372.359	4.539	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(Oc2ccccc2)cc1	728694590	CFFKFHIZPMFBQP-WDZFZDKYSA-N	352.821	4.810	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1OC(F)F	735669401	LJPRMIPXGREAPA-GXDHUFHOSA-N	369.371	4.936	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1O	747034520	VLFCRBGWMUQFSI-WOJGMQOQSA-N	373.412	4.552	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3cccc(C#N)c3)cs2)cc1	748044205	ASSOWPMPPUUSBY-UHFFFAOYSA-N	362.458	4.562	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(C(F)(F)F)c1	748730728	CHFGXRAHSAQYDZ-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(Br)cc(C(F)(F)F)c2)c1	756746240	UYRHXSCHFSTUMP-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CC(CCc1ccsc1)=NNC(=O)c1ccc(COc2ccccc2)o1	764900915	QXVGUKCTGUQKKY-UHFFFAOYSA-N	368.458	4.659	50	20	FJGD	
C[C@@H]1CCc2c(sc3nc([C@@H]4CC[C@@H](Br)C4)nc(O)c23)C1	765980793	FGEIJPARRRVPEA-OPRDCNLKSA-N	367.312	4.553	50	20	FJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)Nc1ccc(Cl)cc1	768467733	QUIOSAXYNCAFLJ-PDGQHHTCSA-N	359.816	4.948	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2OC)c1C	769279771	YTRRQOWGTKEFSK-BOPFTXTBSA-N	369.440	4.598	50	20	FJGD	
C[C@@H]1C(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)N1C1CC1	771859008	JXGKGNSBWJQDOZ-MRVPVSSYSA-N	356.316	4.664	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c(C)n1C1CC1	776256741	FYEMLEBSSFUAPK-MHWRWJLKSA-N	356.372	4.831	50	20	FJGD	
CC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(C(C)(C)C)cc2)c1	780509350	HFISDDGFUARVEB-UHFFFAOYSA-N	374.872	4.745	50	20	FJGD	
NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	787271254	QEKNTNFCFXKYKD-VHSXEESVSA-N	372.359	4.574	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNc1ccc2ccccc2n1	797655519	XWDXRGIHZLQJMO-UHFFFAOYSA-N	369.428	4.754	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@H](CCCO)C2)cc1	832786858	ISPPKXFNRKIEDI-SFHVURJKSA-N	363.618	4.803	50	20	FJGD	
CCC1CN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	836256661	SVDCGSPONLAJOG-GFCCVEGCSA-N	352.809	4.780	50	20	FJGD	
CN[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841191375	ZGQKRXPASUITHA-LLVKDONJSA-N	359.364	4.560	50	20	FJGD	
O=S(=O)(NCC1=CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	851826676	UCIWUTCJHHVADE-UHFFFAOYSA-N	363.373	4.733	50	20	FJGD	
CN(C[C@H](CBr)C1CC1)C[C@H]1CCCO[C@@H]1c1ccccc1	859106848	QNBRUADXXNMOGY-CEXWTWQISA-N	366.343	4.507	50	20	FJGD	
Cc1csc(C(=O)NN=Cc2c(Cl)cccc2SC(C)C)c1	863155247	CYLNWUVDLHENOW-UHFFFAOYSA-N	352.912	4.974	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)c1C	875107836	AROUUCGACLDIRD-ZVCOJXFSSA-N	373.541	4.550	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1CCSc2ccccc21	915896508	RHRDGYXQGZYYER-CYBMUJFWSA-N	368.289	4.857	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cccc(Cl)c1Cl	916346269	QTPGQIWOQCNWLH-UHFFFAOYSA-N	371.264	4.765	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1c(C)[nH]c3ccccc13)O[C@H](C)C2	916549652	WYWGALPDNNITJB-ZLYHGVDXSA-N	372.424	4.598	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	171148459	YKOFKBFASQAZJN-FOWTUZBSSA-N	365.820	4.568	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)[C@@H](C)CC)ccc1OCC(F)(F)F	726427928	BFDSTQDWYHBYIA-QENILXLESA-N	355.356	4.549	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@@H]1C[C@@H]1c1cccc2ccccc12	734250055	NZXUNFKRQPEQGP-QZTJIDSGSA-N	359.454	4.696	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1OCC(C)C	735620377	YQWRYZUZENVYNK-LICLKQGHSA-N	361.445	4.979	50	20	FJGD	
CCC[C@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccccc1	743525768	JZGSNHSFIRCNPA-INIZCTEOSA-N	374.872	4.526	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	747003712	MLEAWPLMNKTCAC-ZROIWOOFSA-N	360.335	4.568	50	20	FJGD	
C=CCCC(=NNC(=O)c1ccc(Br)cc1Cl)C1CC1	747751190	ITSCUUWAFNJAET-UHFFFAOYSA-N	355.663	4.565	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1nc(C(F)(F)F)cs1	754256344	CXPNZTIHADIERX-WDEREUQCSA-N	369.412	4.595	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C#N)C(C)(C)C)c(C)n1C1CCCCC1	755374194	CKRIQTQXSFPHDP-JKALPCAWSA-N	366.509	4.572	50	20	FJGD	
C[C@@](O)(CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	762966702	UGTAOECXYGKDRX-CYBMUJFWSA-N	360.348	4.627	50	20	FJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn(C)c1	762977819	FPAKANPVDBFLOY-VIFPVBQESA-N	370.347	4.960	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1cc(F)cc(F)c1	772175128	FSFPVHRNRORSCY-RZNTYIFUSA-N	369.758	4.594	50	20	FJGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1cc2c(s1)CCC2	776760466	QBICOXQACDKYPG-UHFFFAOYSA-N	354.450	4.729	50	20	FJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2ccc3ccccc3n2)C1	777462607	ZVDWIJKXAUBASG-HKUYNNGSSA-N	369.509	4.834	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(-c2ccc(F)cc2)s1	777467151	WXZGLEPPEXAVDR-UHFFFAOYSA-N	363.417	4.859	50	20	FJGD	
N#CC1=CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1	779585496	DCNFNLUFVKMJJX-UHFFFAOYSA-N	374.875	4.848	50	20	FJGD	
Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)cc2cccnc12	783839346	HSNURECCYZLYCR-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2Cl)cc1	787168605	KQOJSGAVUCKDQE-LFIBNONCSA-N	353.805	4.781	50	20	FJGD	
N#C/C(=C/c1ccnc(Cl)c1Cl)C(=O)Nc1ccccc1Cl	791435453	UKYVIAMZLNKYAY-YFHOEESVSA-N	352.608	4.587	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnc2c(F)cccc2c1	794415735	YVGJSBOQZUYZIV-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)c1ccoc1	798231008	WDVRSTRCHJCUEO-MFOYZWKCSA-N	365.820	4.585	50	20	FJGD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC[C@H]1CCSS1	854511374	SMCHEDXOQZDKMW-ZDUSSCGKSA-N	354.497	4.864	50	20	FJGD	
C[C@H](Sc1cccc(Cl)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	105497177	QKGRXOQYLNWWQC-NSHDSACASA-N	355.850	4.662	50	20	FJGD	
CC(C)c1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccc(F)cc1	122555848	IODUSZFKRPMUMK-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(OCCCC#N)c2)c(C)c1	171148478	VSFJKFRTNZBANR-DEDYPNTBSA-N	373.456	4.840	50	20	FJGD	
CCN(CC1CC1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193233773	FRPKIIBFIFIERL-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1csc(-c2ccsc2)n1)c1ccccc1	731931112	XKYMTOYYXOCDGR-INIZCTEOSA-N	355.488	4.516	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC2(CC#N)CC2)c(C)n1C1CCCCC1	744276636	GCOOWBOLTTYPTP-CPNJWEJPSA-N	365.477	4.754	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2ccc(Cl)cc2)n1	748549326	VSIRQMZPCKSIQS-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CCN(CCC#N)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	750585455	ASLLLMURIHPXKF-GFCCVEGCSA-N	365.808	4.673	50	20	FJGD	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)/C(=C\C#N)c1ccc(F)cc1	750795156	NLBYSDBUXRPEHF-ZYIOACJDSA-N	350.437	4.790	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)c1	751367614	QWBAUJJBELKWDO-UHFFFAOYSA-N	351.837	4.831	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(CC1CCC1)CC(F)(F)F	752489964	JLZDRXOEBOWOEJ-ZDUSSCGKSA-N	355.491	4.892	50	20	FJGD	
COc1ccc2cccc(CC(=O)NNc3ccccc3C(F)(F)F)c2c1	753917179	GDACILUUFYJZMR-UHFFFAOYSA-N	374.362	4.553	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1	762002995	MGXMSHWRGWQZLW-GOSISDBHSA-N	372.468	4.781	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2sccc2Br)c1C	764889156	WTGUDUUWTHGBJJ-XYOKQWHBSA-N	361.264	4.673	50	20	FJGD	
CC(CCc1ccsc1)=NNC(=O)c1sc(-c2ccccc2)nc1C	764897303	XMJNUPHSABPKDZ-UHFFFAOYSA-N	369.515	4.919	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(Oc2cccc(F)c2)cc1	766492445	YDAJMSJDQOWDKJ-UNOMPAQXSA-N	359.422	4.697	50	20	FJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccc(F)c(F)c2F)C1	767084645	SPDTUFOJLIEKGS-UONOGXRCSA-N	372.431	4.703	50	20	FJGD	
Cc1nc(-c2ccc([C@@H](C)NC[C@@H](C)CBr)cc2)cs1	770664983	AVCVBLXZVPAHML-NWDGAFQWSA-N	353.329	4.800	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cc(C)ccc2OC(F)F)ccc1[N+](=O)[O-]	774563256	YKAIESIYIHYHJV-RIYZIHGNSA-N	360.316	4.577	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@@H](C)C[C@@H]3C)s2)cc1	783821195	KNMLYDZDZPHUCD-OLZOCXBDSA-N	371.506	4.548	50	20	FJGD	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	786892209	XRSOZCQZBZQFOH-YYTPVVGHSA-N	374.362	4.538	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cnc(-c2ccc(Cl)cc2)s1	789148472	PQCLLSKLANVOCX-DHDCSXOGSA-N	366.895	4.543	50	20	FJGD	
COc1cc(NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1Cl	790189760	SZKVNSMOKIZSMT-VIFPVBQESA-N	373.667	4.902	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1	791733077	PEPQVDYSUKIYQT-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)C(=O)c1ccc(OC(F)F)cc1	794712356	OQHVEMSYIFUQHS-TVZYSNLZSA-N	361.294	4.912	50	20	FJGD	
CCCN(N=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C	794997012	MVECYJPGGNPYAW-CQSZACIVSA-N	363.458	4.796	50	20	FJGD	
COC(=O)c1occc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	797157606	RPXABKUXKOANHX-MDWZMJQESA-N	370.817	4.907	50	20	FJGD	
CC(C)[C@@H](CO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	806402521	WFNSAGNOLJAFTK-SNVBAGLBSA-N	362.364	4.730	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)ccc1OC(F)F	809146178	MSNGVVJSSYJECK-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)c1cc(C(F)(F)F)ccn1	812246203	GGBYJRJRBAMQNC-NTEUORMPSA-N	368.318	4.747	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1	912593936	BEDSJVVFHSFTOV-UHFFFAOYSA-N	357.413	4.869	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)[C@H](C)CC)cc2)cc1	915914676	ULVCYWUDHWVFGV-MRXNPFEDSA-N	368.477	4.816	50	20	FJGD	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCCC[C@@H]1CCSS1	11385408	WYSXXFFJFWOMST-LSDHHAIUSA-N	367.536	4.579	50	20	FJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1ccc(F)cc1	61038477	OWDPZMHILDGORG-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc([N+](=O)[O-])s1	175628308	DFDPADBMDJEKMO-UHFFFAOYSA-N	361.448	4.607	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCn2cncc2C1	372029313	AQSLHDHDDSNGCE-SNVBAGLBSA-N	367.343	4.742	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc(Cl)c1O	730148907	PEYFLARNOHNUHQ-WMZJFQQLSA-N	360.797	4.867	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C/c1cn(C(C)(C)C)nc1-c1ccccc1Cl	731156458	FSARHGKXDHJEAB-GXDHUFHOSA-N	371.868	4.817	50	20	FJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccc(OC)c(Br)c1	731935120	STZOKBBINKXMHZ-LBPRGKRZSA-N	367.287	4.534	50	20	FJGD	
CCOc1ccc([C@H](NC(=O)NNc2ccccc2)c2ccccc2)cc1	734270335	PUBHKPPMVOFUEI-OAQYLSRUSA-N	361.445	4.501	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1ccco1)CC(F)(F)F	749385465	VWCKKSREUHPBRV-ZDUSSCGKSA-N	367.458	4.885	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	749885507	FCWCTBYBEFAUGW-OQYWKCLKSA-N	369.154	4.523	50	20	FJGD	
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)c1nnc2n1CCCCC2	756785527	BTRRGSJIWUQPBE-HKWRFOASSA-N	370.456	4.744	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)C(=O)C1CCCCC1	767715166	UKHAVTXWNXZWJZ-SFQUDFHCSA-N	351.425	4.685	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Br	767878540	ODYRVVDZUSVUAP-OQLLNIDSSA-N	355.235	4.612	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)C1CCC(C(F)(F)F)CC1	768062818	WPWKDHXYNJVRCC-UHFFFAOYSA-N	355.187	4.805	50	20	FJGD	
COc1ccc([C@H](NC[C@@H](C)CBr)c2ccc(F)cc2)cc1	770666420	KPNXEOPBTNZTFD-SCLBCKFNSA-N	366.274	4.544	50	20	FJGD	
CC(C)(C)C(=O)c1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	775659917	MEIYOJOSUNLKDL-UHFFFAOYSA-N	362.433	4.612	50	20	FJGD	
Cn1ccnc1-c1cccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)c1	780553222	WJRVODVBAODHQC-UHFFFAOYSA-N	363.465	4.533	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)C(=O)Nc1ccccc1	790100752	HUOKNQFRQBPGHT-QBFSEMIESA-N	350.324	4.770	50	20	FJGD	
COc1cc(NNC(=O)c2oc3ccc(Cl)cc3c2C)ccc1Cl	790181076	WWELCDKRLHGIAT-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
CC(C)[C@@H](C=NNC(=O)c1ccc(Br)s1)c1ccccc1	794485944	NOHJEHDESCBGCD-CYBMUJFWSA-N	365.296	4.666	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794686159	LJMSNNUSZGJPGK-ZSOIEALJSA-N	371.318	4.582	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cs2)cc1	796981051	FBJQAVUCCIVVPX-XNTDXEJSSA-N	363.398	4.791	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(Br)c1Cl	799757296	QCHNVMSWRRRJDE-UHFFFAOYSA-N	367.674	4.730	50	20	FJGD	
O=C(/C=C\c1cccc(CCl)c1)c1cc(Br)ncc1F	799891318	CNHWYSBSYQOISW-PLNGDYQASA-N	354.606	4.618	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c(-c2cnn(C)c2)c1	802706838	ZXBZGGWLCILWPK-ZDLGFXPLSA-N	358.401	4.676	50	20	FJGD	
C[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1CN	841191219	WEXQXOMAKJXEHX-GXFFZTMASA-N	373.391	4.935	50	20	FJGD	
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(OCCCCl)cc1	841894841	XFVLQLYGTMOGOS-OAQYLSRUSA-N	354.881	4.733	50	20	FJGD	
Cn1nc(C2CC2)nc1CNc1cccc(S(F)(F)(F)(F)F)c1	843294349	BJDHDZMDYNHDPG-UHFFFAOYSA-N	354.348	4.962	50	20	FJGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379138	LEYSPFDEODCWDU-UHFFFAOYSA-N	361.751	4.536	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN2CCC3(CC2)OCCO3)c1	891569835	XSIUFINGPZMKGW-UHFFFAOYSA-N	359.360	4.683	50	20	FJGD	
COCCn1cc(NCc2cccc(S(F)(F)(F)(F)F)c2)cn1	921836860	DYYKESRRSXPYMN-UHFFFAOYSA-N	357.348	4.799	50	20	FJGD	
O=C(NN=Cc1ccc(C2CCCCC2)cc1)Nc1ccc(C(=O)O)cc1	1776047031	RYDUJTJWIUZNAG-UHFFFAOYSA-N	365.433	4.588	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)n1	8207329	JBCOIDHZJBLNGM-LICLKQGHSA-N	369.453	4.763	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)c2ccccc2F)cccc1OCC	16883149	IXKVHOWGGPHSDE-DTQAZKPQSA-N	353.393	4.803	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccncc2)n1	63277602	KPKXDECVNHHYKF-AQTBWJFISA-N	370.456	4.569	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2nccs2)c(C)n1C1CCCCC1	75574764	MEQJRBINTNNDCB-ATVHPVEESA-N	368.506	4.637	50	20	FJGD	
Nc1c(Cl)cc(C(=O)NNc2c(Cl)cccc2Cl)cc1Cl	155744706	IMDWZMIJAOUHCK-UHFFFAOYSA-N	365.047	4.639	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)ccc1F	156159313	QHQXLLMZNLTMRY-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12	195289233	PYTCQCTWZFONQZ-WUXMJOGZSA-N	356.303	4.698	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cnn(-c3ccc(F)cc3)c2)cc1	728175897	JHDHSNNNCZCVMC-XDHOZWIPSA-N	359.404	4.754	50	20	FJGD	
CCCOc1c(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cccc1OCC	741468504	HLWLMJGDRCPOCI-FOWTUZBSSA-N	362.433	4.518	50	20	FJGD	
CCc1nc(C)c(C(C)=NNC(=O)Nc2ccc(C)cc2Cl)s1	741765517	FRSGYMJZFBNQQN-UHFFFAOYSA-N	350.875	4.521	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1-n1cncn1	742432165	UDHQEJIJKRZYKY-XDHOZWIPSA-N	370.456	4.663	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2csc(-c3ccccc3F)n2)c(C)c1	743764479	KXLHDQZOOKHXMW-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1cc2sc3ccccc3c2s1	743815975	DAKNHZZSZNPICV-UHFFFAOYSA-N	359.863	4.921	50	20	FJGD	
Cc1cccc(Nc2ccccc2C(=O)NNc2ccc(Cl)nc2)c1C	743819230	GUGLULLSZBGHHQ-UHFFFAOYSA-N	366.852	4.852	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@@H](Sc1ccccc1F)c1ccccc1	748101914	QIVKWUVYASEVMW-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
Cc1noc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	748635609	CIXHWYWFRRHPGY-WQRHYEAKSA-N	366.465	4.761	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc2ccccc2n1	777462573	XLPMOWFQKBTWEC-LBPRGKRZSA-N	357.866	4.512	50	20	FJGD	
CC[C@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782981366	DGYNPBIHKVAWRR-JTQLQIEISA-N	365.389	4.765	50	20	FJGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc2cccnc12	783806943	JFBNNAOQHKFUMY-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1Br)C(=O)c1c[nH]c2ccccc12	794870370	VIMHAWLPICFQEP-DHZHZOJOSA-N	369.193	4.859	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c(C2CCCCC2)n1	794883909	DVMQGYAZGKHBOB-CPNJWEJPSA-N	370.456	4.806	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc2ncccc2c1	794884676	KWCGSQUUPNBGMV-OVCLIPMQSA-N	363.760	4.586	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccccc2)c1C	811022090	DGZQBUPEMIIZGM-KPNLZQIISA-N	366.461	4.524	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1	811626955	RHALSYNSYFMZHK-MLPAPPSSSA-N	357.291	4.525	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)[C@@H]1OCCc2sccc21	813870205	SXJZFNXKJUVHGR-KUHUBIRLSA-N	373.522	4.509	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc([C@@H]2CCOC2)cc1	818731062	OAJSCHJAXSNXKV-NVXWUHKLSA-N	351.537	4.843	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1cc2ccccc2o1	834726111	NRVPYIBEUNZVPO-YWFITGJYSA-N	373.408	4.780	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cc(COC)cs1	849241442	GASLFRWNHKUKKD-LICLKQGHSA-N	354.475	4.565	50	20	FJGD	
O=C(NN=Cc1ccccc1C(F)(F)F)c1cc2c(s1)CCCCC2	916369815	POLQYIUNLNNGSF-UHFFFAOYSA-N	366.408	4.800	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	1337986345	BCYLSFJWNGBTGF-LDADJPATSA-N	357.365	4.743	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNCC2(CC(=O)O)CCC2)c1	1776269162	XZFREQFNZZLVQG-UHFFFAOYSA-N	363.574	4.805	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1csc2ccc(C(=O)O)cc12	1777477179	GHQDNKDBTQHJSB-SDQBBNPISA-N	353.424	4.759	50	20	FJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccco3)n2)cc1C	7210361	NVGQGANADGILCJ-OQLLNIDSSA-N	363.442	4.874	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(SC)c2)c1C	14428199	TWYYJGLQQGSKMD-GZTJUZNOSA-N	353.491	4.783	50	20	FJGD	
C[C@H](CC#N)N(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	120003848	OUOBCJSCWYQPMF-BXKDBHETSA-N	365.808	4.672	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OC	126709514	PPTAHFBMEMYHLZ-BOPFTXTBSA-N	359.429	4.601	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccc(C(F)F)c1	179818474	ZYZQPMLMPROFJZ-UHFFFAOYSA-N	361.270	4.671	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	182071712	QBBCXYUVBHNTQI-UHFFFAOYSA-N	371.462	4.695	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1csc(C2CC2)n1	195747011	ZFZPQOTYHBRYDP-UHFFFAOYSA-N	362.669	4.738	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cnc(-c2ccccn2)s1	727659375	ORVVGDFGXQTTQZ-UHFFFAOYSA-N	372.453	4.688	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2nc(-c3ccccc3)cs2)n1	727973853	AHNQHIWBBVMMER-MDWZMJQESA-N	367.455	4.507	50	20	FJGD	
CSC[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	736955433	HJYWEVXKMDDPJR-LDYMZIIASA-N	372.865	4.779	50	20	FJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)C(C)(C)C	740764269	QAIRFKCXBSEDIY-YBEGLDIGSA-N	355.869	4.724	50	20	FJGD	
C[C@H]1CC(=NNC(=O)c2cccc3ccccc23)CCN1Cc1ccccc1	741465293	FRDNENBWVWSXMU-SFHVURJKSA-N	371.484	4.610	50	20	FJGD	
COc1ccc(Br)c(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	747699207	QVNABBWSHPSUSK-MDWZMJQESA-N	368.234	4.707	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F)c1ccccc1	771838683	AFFDSABGJFMWDX-DGGAMASNSA-N	362.326	4.629	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCCC1	777843880	VJKPUMBPZSNYJK-UHFFFAOYSA-N	365.389	4.909	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)c1nc(-c2ccncc2)cs1	779360087	ZMVRMIYWYQGBPF-KPKJPENVSA-N	359.241	4.971	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H]2CCCCC2=O)c(C)n1C1CCCCC1	786432760	YJAGGLKMKDUZNG-USUABIMMSA-N	368.477	4.572	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C#N)c2)c1C	787107764	RNXCTISTJZYJPY-RQZCQDPDSA-N	366.852	4.586	50	20	FJGD	
COCCOc1cccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)c1	788332632	STHUICDLCPDCSW-GZTJUZNOSA-N	363.438	4.716	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C[C@H]3[C@H](C2)C3(F)F)cc1	844458237	NJIAUIQTTUGZRK-IRXDYDNUSA-N	353.529	4.905	50	20	FJGD	
C#CC[C@H](CCOC)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	860896613	OYWQQQMMOKAMLM-LLVKDONJSA-N	372.359	4.894	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1	912637729	ZAZNEWVKGNERNW-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
CCN(CC)c1nc2sc(C(=O)NNc3cc(C)cc(C)c3)cc2s1	919745603	DSUFSZCZCZRROX-UHFFFAOYSA-N	374.535	4.578	50	20	FJGD	
CCOc1cc(C=NNC(=O)c2ccccc2Cl)ccc1OCC(C)C	1115812916	GGAUXZGTHUFSRA-UHFFFAOYSA-N	374.868	4.537	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc2c(c1)oc1ccccc12	1329059202	JADGXNRNZQJSOC-UHFFFAOYSA-N	371.318	4.757	50	20	FJGD	
CO[C@]1(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCSC1	1332436308	XAWRMKBHORJYBL-GFCCVEGCSA-N	363.373	4.805	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(/C=C\C(=O)O)cc2)cc1	1776271627	LQYLECYYWGOMSD-DAUMOXEHSA-N	359.425	4.872	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	941187	FVMZTEBNVRDKGB-UKTHLTGXSA-N	360.244	4.605	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1	22345829	BSGGWSPAJXQNDG-MHWRWJLKSA-N	370.246	4.897	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1csc(-c2ccccn2)n1	98008603	RGPKJBSBXOQGQA-UVTDQMKNSA-N	370.437	4.785	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccc(OCCCC#N)c3)c[nH]c2c1	171149072	WVCWQIBVULLUGF-LDADJPATSA-N	369.424	4.949	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl	727263726	GTBIKVMPZHGKRT-BRFSQIRFSA-N	366.848	4.689	50	20	FJGD	
O=C(NN=Cc1c(O)ccc2ccccc12)c1c(Cl)cccc1Cl	727781029	ALSPGRXAMUBEBF-UHFFFAOYSA-N	359.212	4.616	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc1	746060765	YSTIZUAQAANFHT-IQFISFIMSA-N	373.412	4.565	50	20	FJGD	
CSCc1c(C(=O)NNc2cccc3c2CCCC3)oc2ccccc12	748585364	ISEBBGHSKCZSSE-UHFFFAOYSA-N	366.486	4.932	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3coc(-c4ccccc4)n3)nc(O)c2c1C	749887638	XWLBVBOLXGGJSD-RIYZIHGNSA-N	374.425	4.733	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1c(Cl)cccc1Cl	753314826	BJKXZLCRVFPBIX-SECBINFHSA-N	368.651	4.765	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C#N	766290799	SVODYGYOSUKVJM-OCKHKDLRSA-N	352.422	4.926	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(C(C)=O)c1	769657425	LBOROTFLYYLQCX-UHFFFAOYSA-N	352.459	4.839	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1cccc(C(F)(F)F)c1	780528247	SMHAXSPYBZHHJT-SDQBBNPISA-N	364.254	4.543	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(Oc2ccc(OC)cc2)cc1	792633432	HYEVWMUGUHIZCK-XSFVSMFZSA-N	371.458	4.567	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	798344748	LNLKZMZTQNCHBT-SDQBBNPISA-N	363.248	4.625	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	810200114	VCRCOJWCKBMTAF-GZTJUZNOSA-N	366.424	4.965	50	20	FJGD	
CCSc1cccc(F)c1NS(=O)(=O)c1ccc(CCCl)cc1	811838271	BKSGSZGYGMNXCL-UHFFFAOYSA-N	373.902	4.520	50	20	FJGD	
CC(=O)N[C@H](C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)C	828505089	CZGMIWXJDOSOCC-GFCCVEGCSA-N	374.375	4.833	50	20	FJGD	
C[C@H](N)[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841180047	WKVPGSDFSIUZLO-QWRGUYRKSA-N	373.391	4.935	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1nc2ccccc2n1C(F)F	917143650	NWIAEDYCMBHVFI-YBEGLDIGSA-N	373.366	4.953	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2OCC)c1C	917745111	PBVCMOKCSQYATG-UYRXBGFRSA-N	365.477	4.768	50	20	FJGD	
O=C(NNC(=O)c1sccc1-c1ccccc1)c1ccc2ccccc2c1	918108677	KUIKUQKEPJLIQM-UHFFFAOYSA-N	372.449	4.643	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)c1nc(-c2ccc(C#N)cc2)cs1	175325038	RPSJZHGFVSYLPI-LHHJGKSTSA-N	365.364	4.730	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccn2Cc2ccccc2C#N)cc1	187766554	UOEXIZHBHWPVOS-FYJGNVAPSA-N	351.409	4.506	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1OC	194530806	STAYNQDIPMKCLJ-RQZCQDPDSA-N	351.377	4.579	50	20	FJGD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)CCO1	246214270	XUGHAKJAOKIHOU-ULQDDVLXSA-N	359.601	4.801	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	254984564	CABKOGPROCQMMN-PTNGSMBKSA-N	372.371	4.541	50	20	FJGD	
C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCOC1	274016771	MIOPCRFREKDHOV-ZJUUUORDSA-N	360.348	4.891	50	20	FJGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1cccc2ncccc12	730146506	YZQIIDPVMFNLEM-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
CC(C)COc1ccc(C(C)(C)C(=O)NNc2cccc(Cl)c2)cc1	730771125	SUQHIYQVHRPBKP-UHFFFAOYSA-N	360.885	4.796	50	20	FJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)[C@H]1CC=CCC1	742005221	OVWGSFZXUJSKJQ-QMMMGPOBSA-N	364.070	4.555	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c(C)c1	743763764	SCRQEUBFYNEPLB-UHFFFAOYSA-N	364.470	4.990	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCC(F)(F)F)c(C)n1CCC(C)C	743778558	KFYMCSOFKABCER-GZTJUZNOSA-N	369.431	4.517	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Oc2cccnc2)cc1	752810493	AMKIPETXXAXMRS-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
O=C(/C=C\c1ccc(Cl)s1)NNc1cc(C(F)(F)F)ccc1F	754142217	BPZLBMRFOAGRGF-UTCJRWHESA-N	364.751	4.716	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cncc(-c2ccccc2)c1	758291468	JMGXPEZAFKGERD-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(F)c2cccnc12	759115377	AEGJMWTYBXXIKL-UVTDQMKNSA-N	365.795	4.881	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2sccc2c1	761000478	COPUWOIKIIZOPH-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
CN(C)c1ncc(CNc2cccc(S(F)(F)(F)(F)F)c2)cn1	762570031	VYQPXXIAVVAGNP-UHFFFAOYSA-N	354.348	4.812	50	20	FJGD	
C[C@H](CBr)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1	770668509	NXRGCNMOSXOABR-CXAGYDPISA-N	367.718	4.639	50	20	FJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)c1cccc2c1OCCO2	771515225	YWRKSORDETUWAA-ZRDIBKRKSA-N	365.772	4.647	50	20	FJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)c1ccc(Cl)cc1F	773163548	NMYOFDALBMWRCY-BJMVGYQFSA-N	360.175	4.570	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	776725101	CVDFFNYTVDOFGO-MKVDPYIPSA-N	358.182	4.573	50	20	FJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3ncccc3C)oc2c1	791216200	KLTGBSQQWYJAMJ-UHFFFAOYSA-N	373.412	4.569	50	20	FJGD	
O=C(CSC(F)F)Nc1ccccc1S[C@H](Cl)C(F)(F)F	839235908	NVZOTGCRVIMLFZ-VIFPVBQESA-N	365.776	4.800	50	20	FJGD	
NCC[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179780	SFEDWPAPQOGHPQ-LLVKDONJSA-N	373.391	4.937	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCC[C@@H]1CC1(Cl)Cl	846586413	BZJRCIBFOCTQKW-VXGBXAGGSA-N	356.384	4.791	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(OC3CC3)c2F)c(C)c1	849177193	FQQLGBKNGSPUAG-BOPFTXTBSA-N	364.420	4.838	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC([C@H]2CCCCO2)CC1	855950928	MMTXDTDZYDCCFT-DLBZAZTESA-N	357.585	4.508	50	20	FJGD	
CC(C)c1cnc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)[nH]1	863365412	FFGZRRQPLCHAHD-TUCQUAOGSA-N	370.503	4.536	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2csc(-c3ccccn3)n2)c(C)c1	915983974	KERUZYAERPCXEH-YBEGLDIGSA-N	374.469	4.676	50	20	FJGD	
COc1cc(C)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	917799014	HXGSIZBKBGWXJR-YBFXNURJSA-N	365.477	4.624	50	20	FJGD	
COC(=O)c1cccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	1319119544	UQIFZLWXHFUJFW-ZDLGFXPLSA-N	371.421	4.533	50	20	FJGD	
O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(CCCl)cc1	36900457	KPGPXBDYTRCLQT-UHFFFAOYSA-N	364.681	4.576	50	20	FJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1cccc(C(F)(F)F)c1	57794466	IVSJUCCTPQPRED-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c(C(C)C)nn(C)c3Cl)c[nH]c2c1	63413094	DVKNTJHYJHBYHG-MDWZMJQESA-N	366.852	4.777	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1	97106043	BLUDPEXBYRCTJZ-UHFFFAOYSA-N	350.418	4.541	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ncccc3Cl)sc2C)cc1	114885045	JFMBDSRWKARCQI-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c1OC	125217222	NBFNXKXQPDBHAN-IZZDOVSWSA-N	368.742	4.835	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)c1nc(-c2ccncc2)cs1	141733327	BEKHJUVKWLARQO-NTEUORMPSA-N	355.369	4.871	50	20	FJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	171350166	HTNNHWBFVFNQSQ-UXBLZVDNSA-N	352.608	4.587	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1[nH]c(C)c(C(C)=O)c1C	175628359	QKRQOXJTLMANQL-UHFFFAOYSA-N	369.490	4.784	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OC(F)F	211521223	FHGFJNRHJFIOSJ-LCYFTJDESA-N	362.763	4.796	50	20	FJGD	
CC(C)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cnn1-c1ccccc1	588589680	YSNJNHFJQFRBTC-SFQUDFHCSA-N	374.419	4.680	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2csc(-c3cccs3)n2)c1	728440214	UMRQNLWFWJTVOL-JYRVWZFOSA-N	352.440	4.670	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1OCc1ccccc1	732577365	GUJCVTKJHDOLED-PDGQHHTCSA-N	359.381	4.657	50	20	FJGD	
N#C/C(=C/c1ccco1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	732580049	RNCFBRMCYPWFSQ-FLIBITNWSA-N	355.806	4.602	50	20	FJGD	
CC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CCCC1	733077753	KNIGHQMOYLDLFT-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)c2cccs2)c1C	733943337	NTVTWRINFYUYSD-LDADJPATSA-N	369.534	4.577	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(OCC(F)(F)F)cc3)[nH]c12	735620426	ZUJASXDLAGSAGA-ZROIWOOFSA-N	357.335	4.877	50	20	FJGD	
CCC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C1CC1	741161518	YEXLENLWCAGOGN-UHFFFAOYSA-N	361.420	4.947	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)ns1	748500209	JZYUVMAZQUBFCH-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC(F)(F)F)c(C)n1CCC(C)C	766605627	OGVGFHRJWUAUMV-YRUBURHZSA-N	369.431	4.515	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	774315948	GMPXCNODRRQYAG-UHFFFAOYSA-N	365.399	4.932	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccc4ccccc4n3)ccc2c1	777464823	HJRIWWNHLBXILA-HNNXBMFYSA-N	371.440	4.643	50	20	FJGD	
O=C(NNc1ccccn1)c1ccccc1Nc1cccc(C(F)(F)F)c1	777469002	KPNFUEICZHSBCK-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1	777871159	IWBQKXIGRXDHBY-QGOAFFKASA-N	373.412	4.756	50	20	FJGD	
COc1ccc2nc(C)c(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2c1	780802076	DLKAPWMNMVGEHF-UHFFFAOYSA-N	363.461	4.606	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)cc1	788586851	CHMHSVQMBNNBQF-MRXNPFEDSA-N	362.429	4.592	50	20	FJGD	
CC1(CCNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	795198831	IKKAWMWLTSJQHQ-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
C[C@H](C(=O)NNc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1	798983192	YIBSHHOBDHUIOA-LBPRGKRZSA-N	359.351	4.500	50	20	FJGD	
C[C@H]1COCCN1c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811471003	ALYGXFMOHRNGTC-KRWDZBQOSA-N	374.912	4.532	50	20	FJGD	
CCOc1ccc(NNC(=O)c2sccc2-c2ccc(F)cc2)cc1	817886034	UHEPTZKGCBEQOK-UHFFFAOYSA-N	356.422	4.710	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O[C@@H](C)CC)cc2)cc1	919869647	ARLTYAHRHOVSSH-IYWFSZBXSA-N	364.445	4.808	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cccc(CC(=O)O)c2)CC1	1776779099	RNHSSHSDRGXDSN-DEDYPNTBSA-N	353.462	4.786	50	20	FJGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	63276134	SOXOKUOQTKFJLW-ZHZULCJRSA-N	358.441	4.560	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OC)c1	125510802	ZPFFHUWVMYPTIK-QENILXLESA-N	355.356	4.549	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)ccc1SC	195194499	AYHMTADJCFYOMC-OQLLNIDSSA-N	362.454	4.997	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cs2)cc1	211508765	IOKMAMMHKQUDBO-GHXNOFRVSA-N	361.264	4.619	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)Nc1ccccc1C(F)(F)F	588600701	GXCKREVKWNVHHV-WEVVVXLNSA-N	356.756	4.966	50	20	FJGD	
CC[C@H](C)[C@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	735114765	NVFSIUQJJJILPB-GUYCJALGSA-N	361.283	4.722	50	20	FJGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	741465608	QDRZGAYLLKHEEO-UHFFFAOYSA-N	367.792	4.555	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1	741468133	FQLUTSMMSFXPIL-XDJHFCHBSA-N	360.457	4.718	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(OCC(F)F)cc1	741853335	WWOTYHDCFHOOTN-XNTDXEJSSA-N	366.367	4.910	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1Br	742432453	WMKFWJKFJMKGHN-IZZDOVSWSA-N	350.599	4.794	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC)CC(F)(F)F)c1C	760771320	FWFWJQHMTLWFNL-BRVCPTFNSA-N	369.431	4.659	50	20	FJGD	
N#C/C=C/CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3	763300995	NDIDCYYVVQBQSR-AATRIKPKSA-N	371.531	4.624	50	20	FJGD	
CC[C@H](C)N(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)CC	767517067	VNZAEOHNWODPKI-FYQXUMGASA-N	373.541	4.645	50	20	FJGD	
CC(C)c1ccc(CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C2CC2)cc1	776603787	NZFLQUJHWKHIAO-DEDYPNTBSA-N	360.457	4.614	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	777465332	KPRCOKYGTUWAHL-WOJBJXKFSA-N	353.425	4.635	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(Br)ccc2F)cc1	780809330	QVRJAZPXZRSZNL-UHFFFAOYSA-N	365.246	4.643	50	20	FJGD	
Cc1cc(Cl)c(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1C	781417367	YHSQAFAVEKJEOM-UHFFFAOYSA-N	360.244	4.915	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)(F)F)cc2)c(C)c1	797046527	MFIHGEFBJYNBSN-GDNBJRDFSA-N	360.335	4.748	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)c1ccc2ncccc2c1	811628270	SHBBPXGGRXNUEG-UUASQNMZSA-N	368.314	4.749	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2ccc(OCCCCl)cc2)ccc1[N+](=O)[O-]	811693485	JJJHPLOKVIOVCJ-ATVHPVEESA-N	356.809	4.975	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2c2ccccc2)c1C	827238114	GTKNYCQQTNQUBH-VAZXNAHHSA-N	361.489	4.786	50	20	FJGD	
Cc1ncc([N+](=O)[O-])n1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	829100137	KOYQTANGGWOOHT-UHFFFAOYSA-N	361.518	4.670	50	20	FJGD	
CSCC[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	903988263	PWJLPQDTIGPZKA-LLVKDONJSA-N	365.389	4.640	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)NC3CC3)cc2)cc1	912777646	NRJLOGDTLXVLLU-RGEXLXHISA-N	372.468	4.666	50	20	FJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1ccccc1F	915995628	HOQNBECDTLAUAE-UHFFFAOYSA-N	373.497	4.704	50	20	FJGD	
N#C/C(=C/c1ccccc1Br)c1nc(-c2ccccc2)no1	916132313	YESWKCZDIDQRMC-UVTDQMKNSA-N	352.191	4.563	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	916998603	PFSWDCCDQOGOCF-UHFFFAOYSA-N	354.397	4.963	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3cc4ccccc4o3)cc2)cn1	1116875758	LNQHTAPDWVPPAA-VCHYOVAHSA-N	353.381	4.623	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(OCc2ccncc2)cc1	1317903479	JSWUOUIDYRIKQA-ZHZULCJRSA-N	354.409	4.759	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1nc(C(C)(C)C)cs1	1318883453	YYWSVGAJIQBRJH-SECBINFHSA-N	370.881	4.620	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1	1321646719	WCCLXWODKMEKGH-LTGZKZEYSA-N	373.500	4.957	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	1325940653	PLWGZEXDCIYLFE-WUXMJOGZSA-N	361.184	5.000	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1F	1341110618	GOSZUVPSLVWEAJ-UUILKARUSA-N	350.176	4.931	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21	1343662302	APWLSLARYDXBEI-GOSISDBHSA-N	369.513	4.600	50	20	FJGD	
COc1cccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	11559409	MRRVFYVJAVHXFN-UHFFFAOYSA-N	360.628	4.804	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C	105285594	SNGUDMYOPBVAGW-DUPVFGOHSA-N	371.868	4.511	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCC(F)(F)F	131061715	XRKWNSINKMGJIK-JYRVWZFOSA-N	355.356	4.549	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccccc1Br	153607608	OGRUNLCFHXSEBM-UHFFFAOYSA-N	365.296	4.707	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cnc2ccccc2n1	191356972	AEKHEAIMDMQXRK-SDNWHVSQSA-N	368.352	4.862	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc4nccn34)n2)cc1	255168797	XCPJIISPFGAXCZ-PTNGSMBKSA-N	358.426	4.531	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(COC(C)C)cc2)cc1	255362048	AAOICEXREKESDQ-UYRXBGFRSA-N	364.445	4.556	50	20	FJGD	
COc1ccc2sc(C(=O)NNc3nccc4sccc34)c(C)c2c1	743415638	BGNOBONYNFIKSD-UHFFFAOYSA-N	369.471	4.585	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(CCC(F)(F)F)c1	752526186	NHZPMIJGTQQZAZ-XNTDXEJSSA-N	362.326	4.866	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)Nc1ccc(SC(F)F)cc1	756272220	YPWMFHDLNLQVOP-MDWZMJQESA-N	373.359	4.558	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2sc3cc(C)ccc3c2Cl)c1	759319020	HDRAPWVEVCSAHW-UHFFFAOYSA-N	364.829	4.768	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc3sccc3c2)ccc1Br	761568323	OJTGAZAIPQVRFM-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(Cl)nc2ccccc12	763608779	AWBUJFYALMQZCD-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CCCCOc1ccccc1C=NNC(=O)c1c(Cl)cccc1Cl	767378570	RTKBREVTSTWBKA-UHFFFAOYSA-N	365.260	4.936	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1oc2ccccc2c1COC(C)C	771701240	NSAZWHKIJCLYEX-UHFFFAOYSA-N	356.397	4.562	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)cs1	777870009	AESSVSLUEZMNCW-RIYZIHGNSA-N	351.362	4.922	50	20	FJGD	
CCCN(N=Cc1cccc(OCC)c1OC(F)F)C(=O)OC(C)(C)C	794997497	TVXABVQDWDNJJO-UHFFFAOYSA-N	372.412	4.668	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cn(C)nc3C(F)F)n2)cc1	812241726	LQQDREKRBTUOOF-GHXNOFRVSA-N	372.400	4.554	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1	812244331	AKPNMHOVLGGNLW-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
COc1ccc2nc(C)c(C(=O)NNc3c(C)cccc3C(C)C)cc2c1	812765049	UATTYYLXUZHVOE-UHFFFAOYSA-N	363.461	4.741	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CC[C@@H](C)C3)cc2)cc1	814705922	QKAZTDMEBYUHKY-MRXNPFEDSA-N	366.461	4.570	50	20	FJGD	
CCCN1CC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	822612075	FEYCGNDUIUVRDI-LBPRGKRZSA-N	373.391	4.950	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	839322468	SSKLGLRWZVDQOS-AXTRIDKLSA-N	355.328	4.898	50	20	FJGD	
COc1cc(F)cc(NNC(=O)CCCc2ccc(Cl)c(Cl)c2)c1	857474184	VLGJTWGJHNXQAD-UHFFFAOYSA-N	371.239	4.607	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1	857831035	QMCFHSJXQOAOKY-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
CC(CCc1ccco1)=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	917028330	OPONOTSTNZWSFQ-UHFFFAOYSA-N	373.412	4.826	50	20	FJGD	
CC(C)CO[C@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	917630707	DAMHGWNFTFLMTP-QMTHXVAHSA-N	369.836	4.906	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1OCC	918713661	MDPIBSKKISCHDH-MOSHPQCFSA-N	359.425	4.504	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C(=O)O)c2)cc1	1776697739	PRYVZGYQPFZLCB-ATTDUZETSA-N	366.392	4.583	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)c1C	7164422	FEJQONHFMHEPFR-QGOAFFKASA-N	368.440	4.718	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C\c2ccccc2[N+](=O)[O-])c(C)c1	33474487	ZJNWOKHWLLONGC-VOTISDMWSA-N	361.401	4.622	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1csc(-c2ccc(Cl)s2)n1	113432499	ZNSZUNFHOMTVNN-UHFFFAOYSA-N	371.821	4.560	50	20	FJGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cnc12	125339210	DQTQDIKRMQAKSJ-QPEQYQDCSA-N	360.804	4.567	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc1	155153105	MBFSBMXFDYEMDH-UHFFFAOYSA-N	365.795	4.775	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccccc1OCC#N	175626952	VSMPHWOOCONARM-UHFFFAOYSA-N	365.458	4.539	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC	180571003	NGZYXWBONORQFA-LICLKQGHSA-N	352.390	4.513	50	20	FJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1C	255522585	JPBUGPFNEIHZQJ-ZROIWOOFSA-N	362.260	4.977	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C1(c2cccc(F)c2)CCCC1	301217808	HKOITICAWRIMSF-UHFFFAOYSA-N	366.358	4.800	50	20	FJGD	
CC[C@H](CC(=O)NNC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1	738555724	HWKHLNVKSQNHCW-QGZVFWFLSA-N	369.534	4.513	50	20	FJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2cccc(C(F)(F)F)n2)cc1	740141960	YZRNKKSHDCRXEJ-ZDUSSCGKSA-N	365.399	4.861	50	20	FJGD	
CC(C)(C)Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	751059724	FWNKHNCCLBEUIH-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2sc(C)nc2C)c1C	751299081	GCZLCFWJQRZLBB-LICLKQGHSA-N	356.495	4.524	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)C1CCCCC1	767715467	WCXLPQAGEQVRQS-VCHYOVAHSA-N	353.853	4.641	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cscc2Cl)n1	771837346	HUYDIWLHBTUAAA-RUDMXATFSA-N	351.884	4.701	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146395	XGVXUGCTMSJSBH-QDEBKDIKSA-N	355.237	4.913	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1	783713857	BGTSXPKHGXRUQL-KPKJPENVSA-N	369.833	4.590	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)NCc3cccc(C)c3)s2)cc1	786056778	RPXBKTAQTRHDIH-ODLFYWEKSA-N	373.481	4.650	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(F)c(Cl)cc1F	791732412	LMMWEOCVKVCVLA-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797405965	MPTPXWXFJJRPPF-NTEUORMPSA-N	364.474	4.903	50	20	FJGD	
CC(C)(COCc1ccccc1)NC(=O)CCCC[C@@H]1CCSS1	799052118	DKDPEQMJGMONQP-QGZVFWFLSA-N	367.580	4.812	50	20	FJGD	
CC/C=C\CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	832058790	DPBZYBDMSUGMFQ-ARJAWSKDSA-N	351.362	4.589	50	20	FJGD	
Cc1cccc(Cl)c1NNC(=O)CCCCC(=O)c1ccc(F)cc1	836936729	PXYAITGFXFAMEQ-UHFFFAOYSA-N	362.832	4.674	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCC(OC(=O)C[C@@H]2CCOC2)CC1	838872401	PJZYAXDWZRMBCZ-CGZBRXJRSA-N	356.579	4.537	50	20	FJGD	
C[C@H](N)[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189361	GQQOBDAOENJQKV-VHSXEESVSA-N	359.364	4.545	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)c1	915292156	RMLNPYXBWSWUAW-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	921262076	NSDRPNBVYJYQLW-YBEGLDIGSA-N	354.837	4.981	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	5554646	GURYJQZCXYVPAK-VBKFSLOCSA-N	373.368	4.709	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	27121917	FWEJGXRYAIBDHK-YBFXNURJSA-N	366.424	4.511	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	125171054	YHBSWPLUVLGOCS-GDNBJRDFSA-N	362.820	4.584	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2c1	179127729	PSGJMBKLQIEFPD-GZTJUZNOSA-N	360.413	4.912	50	20	FJGD	
Cc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)nc1	188028725	IGHAJFUOXGHCLX-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2C)c1C	214219435	XJXUWRRVJNKFKO-WQRHYEAKSA-N	353.441	4.898	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	254484967	WGNFQCROLHPUAC-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](CO)CC1	296864869	PIKXMDJDKIHIFD-LLVKDONJSA-N	374.375	4.970	50	20	FJGD	
O=C(NNc1c(F)cccc1F)C1(c2ccc(Cl)cc2)CCCC1	735697801	IAIDNIAFFRASTB-UHFFFAOYSA-N	350.796	4.573	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CCC(F)(F)F)c1C	748184890	XHFJMFLEYSOVCS-SFQUDFHCSA-N	369.431	4.613	50	20	FJGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	749186529	OPWIHJAMBMIBMV-UONOGXRCSA-N	357.866	4.505	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccccc3C(F)(F)F)c2)cc1	757528209	BWHXNKGTRTVEFR-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
O=C(NNc1ccc(F)cc1Br)c1cccc2ccsc12	768299147	CGPQPMFCWNFLMN-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
CN(CCC1CC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782988409	SNMMPLOCSMJWOT-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
CCNc1ccc(Cl)cc1C(=O)NNc1cccc(C(F)(F)F)c1	792218544	ZQPOFHFLDIGJQQ-UHFFFAOYSA-N	357.763	4.548	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1	794884658	KHYGWLZFULAYFV-MOSHPQCFSA-N	367.408	4.707	50	20	FJGD	
CSc1cc(/C(C#N)=C/C(C)=C\c2ccccc2OC(F)F)ncn1	811691453	OVCQVHVAMRBZQM-FHGRNIPQSA-N	359.401	4.810	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1	817904823	SFZPYXZKHMSARD-UHFFFAOYSA-N	365.458	4.549	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	1320736059	DFEHTDXEFQODNX-LCYFTJDESA-N	370.257	4.943	50	20	FJGD	
N#CC(C#N)=CNc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1	7066834	XTZUSYIDMGIQPT-UHFFFAOYSA-N	371.347	4.720	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CCCC(C)C)c1C	105284887	DFUFCIFOYPPCAQ-QYXYIQQCSA-N	373.541	4.550	50	20	FJGD	
N#C/C(=C/c1nc(-c2ccccc2)c[nH]1)c1nc(-c2ccncc2)cs1	171909843	QJELBNUSPGRERV-YBEGLDIGSA-N	355.426	4.659	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccccc2)c1	207910816	XQUFEOIRQFYJBM-UYRXBGFRSA-N	365.429	4.524	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)OCCc2ccc3ccccc3c2)c1	733862486	YTXVMOJYKSBUJW-STZFKDTASA-N	357.409	4.541	50	20	FJGD	
Cc1cccc2c(CCNC(=O)CCCC[C@H]3CCSS3)c[nH]c12	741704158	CHSZJNVGJJRCGA-INIZCTEOSA-N	362.564	4.849	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1C[C@H]1c1cccc2ccccc12	746702212	QMWICUFEKNTXOY-HOTGVXAUSA-N	356.347	4.504	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1OC(F)F	753344061	SSHGAWXUUAKTGM-NTMALXAHSA-N	370.758	4.627	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc2c(c1)COC2	754058286	SNXHROADNGSXBD-UHFFFAOYSA-N	366.486	4.596	50	20	FJGD	
CCOc1ccc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	761072834	TUFRIYRQARNLSJ-CYVLTUHYSA-N	368.483	4.699	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2nc3ccc(F)cc3s2)cc1	761395193	ZYMPCLOQKUYVIC-UKTHLTGXSA-N	351.406	4.543	50	20	FJGD	
Cc1nc2ccc(C(=O)NNc3cc(Cl)cc(Cl)c3)cc2s1	762340857	UOCFYOPDBWBVGI-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
C[C@@H](Br)c1nc2cc(-c3cccc(Cl)c3)sc2c(=O)[nH]1	767360308	RFEYONIVUARRNR-SSDOTTSWSA-N	369.671	4.761	50	20	FJGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc2ccccc2n1	777463136	DBRFIGNGHQLUHQ-MDJJKAFGSA-N	361.445	4.569	50	20	FJGD	
Cc1ccn(-c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)n1	791439490	KXCWIDIOIICAQD-KRWDZBQOSA-N	361.536	4.833	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1[nH]ccc1-c1c(Cl)cccc1Cl	799539782	AHLGCNZCSDIELB-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1C(=O)c1cccs1	799754652	NOLLGKSRODNHPI-UHFFFAOYSA-N	364.470	4.607	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1nc2ccccc2cc1Cl	810666249	MYUOLTDDZGZGGS-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(Cl)cc(Cl)c3[N+](=O)[O-])nc12	811691653	PGLSVLMUYZMKGG-WMZJFQQLSA-N	374.187	4.546	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H](C)c2cccc(Br)c2)c(C)c1	812523916	DHPNWBJSRPNBAP-CQSZACIVSA-N	361.283	4.621	50	20	FJGD	
CCCC1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	1319338992	QRGJEYAUWCGOPC-UHFFFAOYSA-N	355.462	4.513	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(-c2cccs2)s1	1320026514	QEUKHLLFQAMQJU-UHFFFAOYSA-N	357.485	4.843	50	20	FJGD	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1	8320983	YKIQBXMTBZJOBR-OVCLIPMQSA-N	366.269	4.949	50	20	FJGD	
O=C(NNc1ccnc2ccccc12)c1cccnc1Sc1ccccc1	106925812	XOJQMYOGDHUKJI-UHFFFAOYSA-N	372.453	4.538	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)ccc1F	153769734	RSGRAGXYAQIGOY-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CO[C@@H](C)CCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	180897862	RXFXNYKZGHSTCT-ZANVPECISA-N	355.809	4.660	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2C1	301218827	UIMRRWMGPJLYGH-SNVBAGLBSA-N	354.397	4.649	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCO[C@@H](c2ccccc2)C1	729846754	DQYQDDATHUOUMY-QZTJIDSGSA-N	365.564	4.691	50	20	FJGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)c1cccc2ccccc12	741465789	VWKDNJITPINEAV-UHFFFAOYSA-N	359.816	4.805	50	20	FJGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144315	KCYBAKIDBBETOI-NYYWCZLTSA-N	350.296	4.568	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCC(C)(C)C#N)c(C)n1CC(C)C	782070180	LIIDXPNJZWAUHS-ODLFYWEKSA-N	355.482	4.541	50	20	FJGD	
CC[C@H](CC#N)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	787089125	BMUORFDGUSQNDN-ITICKHJUSA-N	353.466	4.753	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc3ccccc3c2)cc1	787154386	JIQNVDGIKZTYHB-QAIWHXNASA-N	356.425	4.633	50	20	FJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)/C(C#N)=C/c3ccc(O)cc3)c2)o1	794095816	VXFOKJZSFGZHSH-WOJGMQOQSA-N	358.397	4.815	50	20	FJGD	
CCCN(N=Cc1cc(Cl)c(OC)c(OCC)c1)C(=O)OC(C)(C)C	794997583	ZGYMPSSXGPQSCR-UHFFFAOYSA-N	370.877	4.728	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cccc(C2CCC2)c1	798981317	GUQRTEHNGNDHOH-UHFFFAOYSA-N	350.340	4.610	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1	837056023	RAPYEBRGBGMQPJ-UHFFFAOYSA-N	360.461	4.630	50	20	FJGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCC(F)(F)C1	846378802	NJJRDXXVHQQCMV-MRVPVSSYSA-N	356.722	4.627	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)C(=O)c1ccc(F)cc1	915987893	MEUZQZMAAFJVGH-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1oc(C2CC2)nc1C(F)F	1123668425	BHZUHQWVRKJIJB-UHFFFAOYSA-N	362.163	4.553	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(CN2CCCC2)c1	1317860077	NPHZIONCHIFRMX-GOSISDBHSA-N	364.580	4.935	50	20	FJGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	1321700064	DKWAMINVBQQIBA-WQLSENKSSA-N	356.230	4.553	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c[nH]c3ccc(C(=O)O)cc23)cc1	1776127108	IAMOLGCZJWWXDF-YVLHZVERSA-N	358.397	4.608	50	20	FJGD	
O=C(NN=Cc1csc(C2CC2)n1)Nc1ccc(-c2ccccc2)cc1	741765686	JXNVNEAWKCWVOP-UHFFFAOYSA-N	362.458	4.843	50	20	FJGD	
Cc1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	752985068	UXQDSLSYBUEMTH-UHFFFAOYSA-N	356.320	4.697	50	20	FJGD	
O=C(COc1cccnc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	753622303	JERRHQQXKMXNOZ-UHFFFAOYSA-N	354.300	4.757	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cnc4ccccc4n3)c(F)c2)cc1	765990572	CBZBFOXBBVWFBJ-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl	766492757	XRAVJCQLUKANMX-NVNXTCNLSA-N	352.242	4.640	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccccc2OCc2ccccc2)ncn1	773173737	UEKKKEMUHFXJJM-WOJGMQOQSA-N	359.454	4.842	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccccc2)on1	775640385	BATWXBYMIZAUPE-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
CCN1CCC(Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1	777622201	TWKHJSWYVPNQMD-AWEZNQCLSA-N	352.853	4.802	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2ccccc2)o1)C(=O)c1ccc2c(c1)OCO2	779704522	RDOVCZGIOVMJSX-GDNBJRDFSA-N	359.337	4.590	50	20	FJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C)c2cccc3ccccc23)cc(C#N)n1C	782630090	YMAYQSLKZBHVFJ-ZVCOJXFSSA-N	369.424	4.570	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1	798982719	NZWATZUGRWOFBY-JTQLQIEISA-N	374.309	4.554	50	20	FJGD	
ClCCCOc1ccc(CNCc2cc(-c3ccccc3)on2)cc1	811477621	WYWIBKLIBKFKPH-UHFFFAOYSA-N	356.853	4.639	50	20	FJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(C(F)(F)F)ccn1	812246401	KOVRWPJZZXUFIK-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1cnn(C2CCCC2)c1-c1ccccc1	817323235	UXVWAOJBGOLIFU-UHFFFAOYSA-N	372.472	4.738	50	20	FJGD	
Cc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)c(Cl)c1Cl	840545484	VTHSFGVMVDQDJO-UHFFFAOYSA-N	373.671	4.626	50	20	FJGD	
C[C@H]1[C@@H](CO)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841688777	APYRWVMBNUWXOR-WDEREUQCSA-N	374.375	4.969	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCc2cncn2C1	844139488	PAMHSBWEHBNPPP-SNVBAGLBSA-N	367.343	4.742	50	20	FJGD	
C[C@@]1(CNC(=O)N(c2ccccc2)c2ccccc2)C[C@H]1Br	856754735	MQYHQDMCIJLLIS-AEFFLSMTSA-N	359.267	4.708	50	20	FJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)c1c[nH]c2ccccc12	915851860	XOHIFCGDIGGZKM-YFHOEESVSA-N	357.232	4.782	50	20	FJGD	
CSc1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1	915864006	ZABRENQSRGZGGG-LCYFTJDESA-N	357.504	4.708	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCc3cc(C)ccc32)c1C	919869769	DTPXUQBMANFVLN-WVWKGNOCSA-N	361.489	4.534	50	20	FJGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(Cl)c(F)c3)c(Cl)c2c1	1116347527	OJOVARWHCUYPRP-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3cnccn3)o2)c(C)n1C1CCCCC1	1322308387	UJAHAUKXCXWZBE-GZTJUZNOSA-N	374.448	4.514	50	20	FJGD	
Cc1ccc2[nH]c(C(=O)NNc3c(F)cccc3Cl)c(Cl)c2c1	1342843648	QAKQCANMYUOBMP-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
CCN(N=Cc1ccc(-c2ccc(C(=O)O)cc2)s1)C(=O)OC(C)(C)C	1776109902	DWONQTUXAKUOAY-UHFFFAOYSA-N	374.462	4.704	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OC(C)C	20885575	ZMTVZOQDNZKIMX-WOJGMQOQSA-N	364.445	4.645	50	20	FJGD	
Cn1c(/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)nc2ccccc21	22747521	ZQWMVCKFBDQPRC-GXDHUFHOSA-N	360.417	4.900	50	20	FJGD	
Cc1ccc2cc(/C=C(C#N)/C(O)=N/c3nccs3)c(Cl)nc2c1	28496446	LMLMBVBWSJHXIJ-MDWZMJQESA-N	354.822	4.848	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc4c3OCO4)n2)cc1	63278983	NXTJNYHBSXIGKZ-DHDCSXOGSA-N	362.410	4.612	50	20	FJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)NNc1ccccc1Cl	92760855	MKUDKKSSFRIHIR-GFCCVEGCSA-N	360.870	4.740	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	102975296	KCDZODVVMDEPJC-KAMYIIQDSA-N	356.403	4.574	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Cl)c2cccnc12	103277313	YIXKPGMPIJUODA-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1[nH]c2ccc(Cl)cc2c1Cl	128806599	RMZIEGOAALDYNP-UHFFFAOYSA-N	374.149	4.649	50	20	FJGD	
Cc1sc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1-c1ccc(F)cc1	133052037	MSSQFVBYCHTSML-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)co2)cc1	176854809	KRMJEIFZVZCFOK-WOJGMQOQSA-N	357.413	4.813	50	20	FJGD	
O=C(NCCOCC(F)F)Nc1cccc(S(F)(F)(F)(F)F)c1	189780604	LVFRVQXCHWMJLQ-UHFFFAOYSA-N	370.290	4.747	50	20	FJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(-c2ccccc2)cc1	252452478	KWWKOKYHKJHVBR-UHFFFAOYSA-N	353.425	4.528	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2nc(Cl)cs2)c(C)n1CC(F)(F)F	270408170	HGIYCHDEVMGHRR-WMZJFQQLSA-N	373.787	4.567	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](CO)CC1	296864875	PIKXMDJDKIHIFD-NSHDSACASA-N	374.375	4.970	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccccc1CCc1ccccc1	301238004	FLCPFOXMVLOPRE-UHFFFAOYSA-N	350.849	4.882	50	20	FJGD	
C[C@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1	729516086	XJPHMTDSSJOZMN-GFCCVEGCSA-N	357.816	4.664	50	20	FJGD	
CCSCc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	729516318	YVEMVALMMXGXGF-UHFFFAOYSA-N	371.893	4.898	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)cc1	731488527	IVVLBXFDGTZKFI-JYRVWZFOSA-N	362.763	4.796	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)c2cccnc2)c(C)n1CCC(C)C	733415328	RMVZVPYRAWYEKP-UZQMFHLOSA-N	365.477	4.757	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2cccs2)c1C	735018777	XQQHUEWJNQPDOG-QGOAFFKASA-N	369.534	4.925	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c1	748353324	OQISPIZHGXITQE-UHFFFAOYSA-N	373.500	4.692	50	20	FJGD	
Cc1cccc2ncc(/C=C(/C#N)c3nc(-c4ccc(C#N)cc4)cs3)n12	748998800	SQDGUUNJEMCXQD-MFOYZWKCSA-N	367.437	4.702	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(Cl)c(F)c2)cnn1C1CCCC1	752635477	DYFKWCZWHXDMEV-UHFFFAOYSA-N	364.852	4.500	50	20	FJGD	
N#C/C(=C/c1ccc(Br)c(Cl)c1)C(=O)Nc1ccccc1	754829899	ZNRVAQFUBZRTKA-WQLSENKSSA-N	361.626	4.648	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2nc3ccc(F)cc3s2)c(C)c1	761391246	HMXKBQBBDSXDIK-ZSOIEALJSA-N	365.433	4.906	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Br)c(Cl)c2F)c1	768093303	JPPMVKJLYRBKEG-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)c1cc(F)cc(F)c1	772176055	LBTKATYBPVTWLO-JYOAFUTRSA-N	355.237	4.913	50	20	FJGD	
CCN(c1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1)C(C)C	777476536	KWXRAIVXFWWTGL-UHFFFAOYSA-N	362.477	4.535	50	20	FJGD	
CC(C)(NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CC1	777973308	FARBOABIRSWRIF-UHFFFAOYSA-N	365.389	4.811	50	20	FJGD	
Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](Br)C(C)(C)C)o1	781090945	PXDAMJFDOYLNPA-DZGCQCFKSA-N	356.304	4.841	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	789928700	OTTUQOSGKKXYHF-XGHPXPSOSA-N	371.868	4.511	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cscc2Br)c1C	794685441	GSTFCJASBVANNI-SDQBBNPISA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1F	811628162	PKDQCWFVQANYBF-XCVCLJGOSA-N	369.701	4.993	50	20	FJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1cc(C(F)(F)F)ccn1	812246400	KOVRWPJZZXUFIK-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1OC	812249141	WXOBPPGDVRYUSA-ZROIWOOFSA-N	362.351	4.962	50	20	FJGD	
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(S(F)(F)(F)(F)F)cc1	830226164	JXWGWZXHOCVAQM-UONOGXRCSA-N	371.371	4.889	50	20	FJGD	
Cc1cccc(COc2cccc(C(=O)NNc3cc(C)cc(C)c3)c2)c1	832300512	YEMALTSDKMEBOY-UHFFFAOYSA-N	360.457	4.948	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)C(=O)C(C)(C)F)c1	834446867	DOTFFAUXSDHFLV-XNTDXEJSSA-N	369.440	4.538	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H]2NCC[C@H]2C1	841179502	OOQYYZJQCMCJHV-GXFFZTMASA-N	371.375	4.560	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCC(OCC)CC2)cc1	853270559	BCPQTTZBWIQOJO-UHFFFAOYSA-N	360.498	4.711	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3coc(C)n3)cc2)cc1	918013809	XTRHYPSOGVJPDJ-PDGQHHTCSA-N	373.412	4.594	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CC[C@](C)(C(=O)O)C2)c1	1776500603	KQEZJCMHJMODMD-UZLBHIALSA-N	363.574	4.804	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2ccccc21	6516979	ZPFIUFNQKGPLNZ-NTCAYCPXSA-N	370.368	4.806	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1OC	7164684	WQPIGHDSKBFIBH-FOWTUZBSSA-N	364.445	4.547	50	20	FJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cccnc3)c2C)cc1C	7209113	SKWQKSBHOUWGTB-UDWIEESQSA-N	355.441	4.896	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)cc1	8078250	VPBIYKFXPCXGEM-WYMLVPIESA-N	362.360	4.640	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)o1	33932103	AOUOPURYOVHXNO-OWBHPGMISA-N	369.380	4.674	50	20	FJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ccccc3)cc2)n1	70716254	OONGMISRXCPSDK-UHFFFAOYSA-N	355.488	4.501	50	20	FJGD	
O=C(NNc1ccccc1F)c1cc(C2CC2)nc2ccc(Cl)cc12	153283557	LDLRTHKGYMHCJG-UHFFFAOYSA-N	355.800	4.662	50	20	FJGD	
C[C@H](O)[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184422841	MTVHZNRUSCIBIO-VHSXEESVSA-N	360.348	4.579	50	20	FJGD	
C[C@@H]1OCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	192255806	MVZANUGLLPKJON-ZJUUUORDSA-N	360.348	4.985	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	192259898	OMTUVBKBIKZHPP-SNVBAGLBSA-N	360.348	4.987	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1cccc2ccccc12	214070215	BTCYIEZUUMMCRW-CPNJWEJPSA-N	352.393	4.704	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1csc(COc2ccc(Cl)cc2)n1	726429776	VXJPRMDHPZTXLT-FMNNIJNLSA-N	360.866	4.898	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]1c1cccc2ccccc12	740128971	YQLHFGQLYPJURQ-HOTGVXAUSA-N	371.362	4.500	50	20	FJGD	
C[C@H]1CCC[C@@H](C)CN1CCP(=O)(c1ccccc1)c1ccccc1	741796346	YUJRXMBVXYCDRS-UXHICEINSA-N	355.462	4.511	50	20	FJGD	
Cc1nnc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	752991187	RFJBDRNJRYWHDW-UHFFFAOYSA-N	374.360	4.826	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	764106720	CUNLWICHXLVDBD-LFIBNONCSA-N	353.381	4.515	50	20	FJGD	
N#C/C(=C\c1cncc(Br)c1)c1nc2cc(F)ccc2s1	767352687	ZBRAXFTWADRYFI-XCVCLJGOSA-N	360.211	4.657	50	20	FJGD	
C[C@H](CBr)COC(=O)c1csc(-c2cccc(Cl)c2)n1	770331007	RIAJHCKOYYRLRB-SECBINFHSA-N	374.687	4.651	50	20	FJGD	
CC[C@@H](C(=O)NNc1c(C)cccc1F)c1cccc(C(F)(F)F)c1	771707341	QCYJSVGTXJYYDU-CQSZACIVSA-N	354.347	4.790	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cc(C(=O)O)cs3)n2)cc1	782200383	LSHNGYLXOCZXEI-MLPAPPSSSA-N	352.440	4.942	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[C@@H]1CCCOC1	789147183	GORLMSSWGXIKLB-GEBKJHSDSA-N	351.833	4.910	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ncc(C(C)(C)C)s2)c(C)c1	790603037	XXIGZWHWTCZEMD-OQLLNIDSSA-N	353.491	4.912	50	20	FJGD	
C=C(CBr)CN[C@H](C)c1ccc(-c2csc(C)n2)cc1	791491175	XNWLNQZKSLKDDF-GFCCVEGCSA-N	351.313	4.720	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	801569558	YABNEGOHMJUEJG-YYIAUSFCSA-N	364.327	4.733	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1OC	806554648	WVMURCNFEODSLZ-LFIBNONCSA-N	360.413	4.592	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1coc(-c2ccccc2)n1	813083222	KREMDNVQCZQHNC-UHFFFAOYSA-N	364.449	4.600	50	20	FJGD	
CCC1CN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	836256666	SVDCGSPONLAJOG-LBPRGKRZSA-N	352.809	4.780	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1nc(-c2cccs2)no1	916436759	HMEWRDDJRXEBRA-LLVKDONJSA-N	370.521	4.555	50	20	FJGD	
CC(C)C[C@H](CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776318005	CSDUAUUWEGLNSK-QGZVFWFLSA-N	365.590	4.907	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(F)ccc2sc(C(=O)O)cc12	1777477111	GIFRRGQUIBUMGT-UXBLZVDNSA-N	371.414	4.898	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)OC3CCCCC3)cs2)cc1	14178902	SVTMEFWDVFZPRP-RVDMUPIBSA-N	368.458	4.602	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1)c1ccccc1	66405789	PNIGGUVKMUOYSK-WFSQQTBHSA-N	365.483	4.656	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNc2ccc(F)c(F)c2F)c1C	110955058	LBISMLYSCVGGEV-UHFFFAOYSA-N	373.378	4.577	50	20	FJGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)sc2cccc(F)c12	132740370	QVTYBDGOFZCFEJ-UHFFFAOYSA-N	370.236	4.808	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	160724124	BLJLWWKDFDAFIC-WOJBJXKFSA-N	367.493	4.531	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1occc1CSc1ccccc1	160905790	YZEUQUJYKCXKSX-UHFFFAOYSA-N	356.422	4.776	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(-c3nc(C)co3)c2)cc1	177223788	TVHBYEZUWUUEQM-WOJGMQOQSA-N	373.412	4.594	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	179607678	ROFZJTBLQVPGRI-UXBLZVDNSA-N	366.223	4.779	50	20	FJGD	
CC(C)C[C@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184406899	WSPCASSJQDDNBG-LLVKDONJSA-N	362.364	4.873	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1Cl	194154286	AUACLCSHQNFEGY-MLPAPPSSSA-N	355.850	4.627	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(COC(C)C)c2)cc1	194911371	FZBGPFOZHHPMFF-XDHOZWIPSA-N	364.445	4.556	50	20	FJGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c1	732574982	JSCPYBZLYDUEKA-XZOQPEGZSA-N	372.468	4.821	50	20	FJGD	
CS[C@H]1CC[C@H](NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	745894556	QXYNGPMAXYBGFX-IUCAKERBSA-N	368.717	4.557	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(c2cccc(C(F)(F)F)c2)CC1	746698390	FOTYBVLMVGSXJM-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Br)ccc1Cl	767717177	IKPQEDSYOFKISM-IZZDOVSWSA-N	350.599	4.794	50	20	FJGD	
CCCn1c(C)c(C(=O)NNc2c(C)cccc2F)c2cc(OC)ccc21	771713601	KMRUCXFIXBDVNN-UHFFFAOYSA-N	369.440	4.573	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccc(F)cc1	771840421	KPIRLTPJUVGQSG-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
CC(C)(C)c1nc2cc(NC(=O)NNc3c(F)cccc3F)ccc2o1	775615993	XSXHATPEPFQMED-UHFFFAOYSA-N	360.364	4.552	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1nc2ccsc2s1	775630569	CLQWGJSKZJQYDJ-UHFFFAOYSA-N	358.370	4.525	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])s2)cc1	782178730	IBCWZWWXNBHVLX-XTCQQWIJSA-N	355.419	4.715	50	20	FJGD	
C[C@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1C	782978979	GPWNJLLJCYSDNX-UWVGGRQHSA-N	365.389	4.621	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1[nH]c2ccccc2c1Cl	791734705	PYLYNQTUVWLSFR-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	792775660	LVBKQTKVXMKFAO-KOLCDFICSA-N	365.688	4.685	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C2SCCS2)cc1	799756079	XMRWXBIJNAUSLU-UHFFFAOYSA-N	358.532	4.793	50	20	FJGD	
CC(=O)NC[C@@H]1CCCN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	891402231	QCNFWTWBJCGGDY-AWEZNQCLSA-N	372.403	4.692	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1CCSc2ccccc21	915896509	RHRDGYXQGZYYER-ZDUSSCGKSA-N	368.289	4.857	50	20	FJGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)Nc1ccc(C(=O)O)cc1	917516327	SPHCNUWIJZVCCQ-MHWRWJLKSA-N	374.421	4.659	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(-c3cnn(C)c3)cc2)c1C	1322454767	FFQURWRGWYTHRM-UDWIEESQSA-N	372.472	4.705	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(SC)cc1	16411241	XCRVICKUHHQDAN-NTEUORMPSA-N	372.877	4.925	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc1OC	23739931	FHWMZBKTWPPLIV-LDADJPATSA-N	365.429	4.673	50	20	FJGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	65609430	JKFAGZNYKYUBNJ-ZSOIEALJSA-N	361.788	4.514	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc(Cl)c2)cc1Oc1ccncc1	115326878	SKCYLJYTYPCXSP-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
CC[C@H](CC#N)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	157022471	ALMCCCATGUIFSX-BXKDBHETSA-N	365.808	4.720	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(F)c1	162376878	CBPSZMXLEWBUOO-RIYZIHGNSA-N	360.335	4.590	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)c1ccc(Cl)cc1F	179608275	ZBGHEDKAVQGWEZ-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
CC[C@H](C)N(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181673409	HXFJXMXLPGWFRH-VIFPVBQESA-N	353.378	4.763	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)c1sccc1C	186860570	DDGJMMNIBNLSDG-LDADJPATSA-N	360.438	4.917	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccccc2)c1C	255928031	DGZQBUPEMIIZGM-QVQQZCKUSA-N	366.461	4.524	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)co2)cc1	588598219	LFATUKASTBLIPW-NVNXTCNLSA-N	350.324	4.718	50	20	FJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cc(OC)ccc1Br	728431658	XJOGLIKBXIMUMA-LBPRGKRZSA-N	367.287	4.534	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	728785329	AONXQNTUNQKHPK-BOPFTXTBSA-N	366.424	4.965	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)C(C)(C)c3ccccc3)c(Cl)nc12	731152742	RUHPUHGRQZYBHT-UHFFFAOYSA-N	365.864	4.625	50	20	FJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NNc1ccccc1	734274401	JAYFSROVYLQKFL-CYBMUJFWSA-N	370.453	4.645	50	20	FJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2sc3ccccc3c2s1	748000304	LDWOEDMRIULCMV-UHFFFAOYSA-N	369.427	4.781	50	20	FJGD	
Cc1ccc(Cl)cc1C(=O)NNc1ccc(Br)cc1Cl	753657099	WSURHLWZNYDPQC-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CC(C)C[C@H](O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762973160	CWWHSSREIFZFGE-NSHDSACASA-N	362.364	4.873	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1noc(C2CCCCC2)n1	773109644	KRBNKKKRBUXNOI-CQSZACIVSA-N	370.540	4.875	50	20	FJGD	
COc1ccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	780536653	SCPNMQZOGKZJRW-CQSZACIVSA-N	362.804	4.922	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1	780803485	GTZMEBPOTVYNFU-UHFFFAOYSA-N	374.488	4.804	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(C2SCCS2)c1	781070504	MNWDPFIQQQKQHK-LBPRGKRZSA-N	374.369	4.913	50	20	FJGD	
Cc1cc(Oc2ccccc2)ccc1NS(=O)(=O)CCCCCl	788059510	WBLOWZBDOWUPTJ-UHFFFAOYSA-N	353.871	4.548	50	20	FJGD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cccc(CCl)c1	799890762	XSWATFFPXHKUMO-NTEUORMPSA-N	357.240	4.733	50	20	FJGD	
C/C(C=NNC(=O)c1cc2ccccc2o1)=C\c1ccccc1OC(F)F	811643282	ACNDNLDVIDXENS-YHSMPAENSA-N	370.355	4.853	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1C	915990405	PKUGFYBJPRIDCI-GDNBJRDFSA-N	365.433	4.788	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	920033228	LVMNROYNAWSBRQ-NSHDSACASA-N	356.775	4.996	50	20	FJGD	
N#CC1=CCN(Cc2nc(-c3cccc(Cl)c3Cl)cs2)CC1	1193003197	PMTNHAUHPPYELI-UHFFFAOYSA-N	350.274	4.773	50	20	FJGD	
C=CCCC[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776207220	AKRZUDJZQCLJJG-SFHVURJKSA-N	363.574	4.970	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	28495958	QWIILWSOLMWGTD-QGOAFFKASA-N	364.445	4.592	50	20	FJGD	
Cc1cccnc1[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)C	115406626	ITQGNZPIHOWRPH-NVXWUHKLSA-N	352.569	4.917	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)ccc1OC	179609869	XIECZRDGCADTIE-MDWZMJQESA-N	359.784	4.676	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OCC#N	213535018	MDRSHOLQCXECME-BOPFTXTBSA-N	373.437	4.785	50	20	FJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccccc1	734366896	CQACAOCGJVALHS-QBFSEMIESA-N	350.324	4.770	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1)c1ccc2ccccc2c1	753327078	HMYZOTMXMCOTIE-ZDUSSCGKSA-N	369.262	4.849	50	20	FJGD	
CC(C)n1ncc(C(=O)NNc2c(F)cccc2Cl)c1-c1ccccc1	754311446	OAWFXAMXEGGIPQ-UHFFFAOYSA-N	372.831	4.680	50	20	FJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccccc1Br	756017269	HGYYXLABXIYHTB-ZHACJKMWSA-N	365.658	4.649	50	20	FJGD	
C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762665313	JOWQLBGFQZAYKN-UWVGGRQHSA-N	372.359	4.539	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)C3CCCCC3)cs2)c1	767712739	FWPDIQYNNCIYRK-MHWRWJLKSA-N	352.459	4.875	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cnc(-c2ccco2)s1)c1ccccc1	789147598	JILBPAFELOKXIK-JBXOJTMHSA-N	363.442	4.578	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/C1=Cc2cc(Br)ccc2OC1	794955409	YGVMXUONIBCHPU-RIYZIHGNSA-N	360.251	4.680	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]2C[C@H]21	796032404	JWAPGWNITXZLAF-JOYOIKCWSA-N	363.373	4.517	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21	804347698	ADLBBYZMJMFZMO-WCXIOVBPSA-N	364.327	4.591	50	20	FJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1csc(-c2ccc(Cl)cc2)c1	815850588	SKMMWMLSQOIOOO-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2Oc2ccccc2C#N)cc1	817900164	XBWZMYUZSJYABS-UHFFFAOYSA-N	373.412	4.506	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N=c1ccccn1Cc1ccccc1	849185580	FGLQBLAAENRHAX-SFHVURJKSA-N	372.559	4.678	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3)oc2C)cc1	899886599	XNMAPOWEPKTCEF-XDHOZWIPSA-N	358.397	4.609	50	20	FJGD	
O=C(NN=Cc1ccc(CSC(F)F)o1)c1ccc2ccccc2c1	917547163	MCWFTQJLFMHGAZ-UHFFFAOYSA-N	360.385	4.653	50	20	FJGD	
COc1ccccc1CN(C(=O)CCCC[C@@H]1CCSS1)C1CC1	918339200	MADSTLUHGAPWOO-QGZVFWFLSA-N	365.564	4.900	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccnc1N1CCCCC1	918686644	WABWZZXZLLXZAG-OAHLLOKOSA-N	365.568	4.725	50	20	FJGD	
CC(C)(C)OC(=O)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	918708356	XYSBLFDWBHVZKO-UHFFFAOYSA-N	371.384	4.688	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2OC(C)C)cc1	918976335	DQSYLPZJAHOOPK-UYRXBGFRSA-N	365.429	4.523	50	20	FJGD	
COc1ccc(Br)c(/C=C(\C#N)C(=O)c2ccccc2C)c1	1253411686	MVHQXMUDCRLKEC-NTEUORMPSA-N	356.219	4.556	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)s1)C(=O)NCc1ccccc1	46568502	TZGZFJZDCPPLJD-FOWTUZBSSA-N	362.429	4.778	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1OC(F)F	97990627	SQGLESJVTWTHFQ-KAMYIIQDSA-N	369.371	4.638	50	20	FJGD	
COc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1-c1ccccc1	172087302	BHIQUHTXGWXPBP-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1	179615851	NLSFWXDZHJJSTQ-XNTDXEJSSA-N	373.811	4.684	50	20	FJGD	
CCNC(=O)CCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183995712	GECRAFPQEKADBX-UHFFFAOYSA-N	360.348	4.589	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)c1C	727655462	UJYWDKIXAQIXEK-CPNJWEJPSA-N	355.441	4.896	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1(Sc2ccccc2)CCCC1	731984377	FVFUTIAEUPPKDB-UHFFFAOYSA-N	373.430	4.614	50	20	FJGD	
CC[C@H]1CCCC(=NNC(=O)c2ccc(Br)cc2Cl)C1	734978784	BOGUOHAZSKNIMT-JTQLQIEISA-N	357.679	4.789	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1occc1Br	735305641	WTWBYDHJIOSZJN-JXMROGBWSA-N	365.614	4.550	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)ccc1OC	741474832	ZVSCEBZWURIMFM-KWZJRMENSA-N	362.433	4.516	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl	741475292	XQVSVMARFGHJFU-GVIGZQTCSA-N	359.832	4.886	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(Oc4cnccn4)cc3)[nH]c12	743056162	QOMGXQGUZUZXHR-WJDWOHSUSA-N	353.385	4.518	50	20	FJGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c1	776259615	MIAQSVCJGJPCRT-YBEGLDIGSA-N	357.356	4.865	50	20	FJGD	
N#C/C(=C\c1cccc(Br)c1OC(F)F)C(=O)C1CCCC1	781555928	SHRUMYWFGDZECX-XYOKQWHBSA-N	370.193	4.717	50	20	FJGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1cccc(C(F)(F)F)c1	782370875	XDPVOMSBDLMLQE-QINSGFPZSA-N	367.330	4.681	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	782522703	FNAIFXMTKRMRCH-UDKWZTAFSA-N	358.363	4.643	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](C(F)(F)F)C3)cc2C1	783510127	VMNKCIHHWJMGCC-CMPLNLGQSA-N	358.429	4.711	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3occc3c2)cc1Cl	794686404	OMHDWIIGOZZENY-ZROIWOOFSA-N	352.777	4.640	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)cc1C	809145595	BBZUVTZCNDXYKA-NVNXTCNLSA-N	356.219	4.561	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc(Cl)c1O	809145738	DUMRKKVAXYUCCK-LZYBPNLTSA-N	355.821	4.851	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ncccc2C)c1C	843074388	MDVYEZSELIJFQE-DEDYPNTBSA-N	370.456	4.652	50	20	FJGD	
CC(C)(CO)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccs1	855110059	LMIIRFWCKRPLJZ-CZUORRHYSA-N	373.609	4.638	50	20	FJGD	
CSCC[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	903988390	PWJLPQDTIGPZKA-NSHDSACASA-N	365.389	4.640	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(C)c([N+](=O)[O-])c1	915843997	DDIFIVIOQPAJNE-WQRHYEAKSA-N	363.417	4.574	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccs2)C(C)C)c1C	920000453	FQZFNDBWFOABFD-XDHOZWIPSA-N	369.534	4.921	50	20	FJGD	
CCCn1c(C)cc(/C=C(C#N)\C(O)=N\c2ccc([N+](=O)[O-])cc2F)c1C	60191227	GFSMFRWDOPNREW-DHDCSXOGSA-N	370.384	4.757	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1)C1CCCCC1	112224547	LPJFPIYMCIPXAZ-VBKFSLOCSA-N	351.475	4.508	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(c2ccncc2)CC1	192289902	DSOVYHHQVONAAP-KRWDZBQOSA-N	350.553	4.502	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(N4CCCCC4)o3)c[nH]c2c1	194336577	DRCBSXPKFYKUDX-FOWTUZBSSA-N	359.429	4.850	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	206956193	LKFMYLOVZXQFSN-SDQBBNPISA-N	374.195	4.610	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccccc1	731317851	FIKWBCBVLBSLPH-XKZIYDEJSA-N	364.404	4.927	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)c1	742345817	BXWJCMZQPRNNNX-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
Cc1cc(F)ccc1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	750897624	ZDCPLZZFUWRYQL-AUWJEWJLSA-N	370.232	4.779	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCSc2ccccc21	752809718	AFZUITCVEJQPKK-LBPRGKRZSA-N	353.274	4.716	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cnc1Cl	760209982	GKBHGIQFQQQTMD-IZZDOVSWSA-N	366.635	4.896	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)ncn4C)n2)cc1	761201410	TYEVDENMHQAUPP-CXUHLZMHSA-N	372.453	4.770	50	20	FJGD	
CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640739	ROXIOYJHVIJUMK-SNVBAGLBSA-N	374.375	4.785	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(C2CC2)nc2ccc(F)cc12	770204072	ZMLJROOYJSYBDL-UHFFFAOYSA-N	373.790	4.801	50	20	FJGD	
C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)CCCCCl	780749052	OBTMHSTWAQDEFG-OAHLLOKOSA-N	371.955	4.660	50	20	FJGD	
Cc1cncc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	782932588	BGJMOPKQKOKACW-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(-c4cccc(F)c4F)o3)nc12	790220893	XWXOLTKXLQHEES-XFXZXTDPSA-N	362.339	4.869	50	20	FJGD	
CC(C)=CCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	792307653	OSUPZPJPFRAOQQ-UHFFFAOYSA-N	372.359	4.755	50	20	FJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)c1ccc2ncccc2c1	794883735	CTFWTRHWQXZNOR-UDWIEESQSA-N	354.409	4.813	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)s1)C(=O)[C@H]1CCCOC1	794884531	PYNLLVQJRKAHIV-QTNMRXCUSA-N	357.862	4.971	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cccc(C(=O)Nc3ccccc3)c2)c(C)c1	802829390	QYIRODHGQPNAFA-UHFFFAOYSA-N	373.456	4.621	50	20	FJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(C3CCCC3)cc2)cc1	812242587	XROYEXDNZANAGE-XSFVSMFZSA-N	373.456	4.848	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1O	812246571	OKYUAHDJUOUEOS-WZUFQYTHSA-N	368.742	4.922	50	20	FJGD	
C[C@H]1C[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1	841191464	ZOGZFNVNZHDOMG-ONGXEEELSA-N	359.364	4.606	50	20	FJGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	915283103	HQWCRWYLOSZPGK-WCEBZYJUSA-N	373.541	4.504	50	20	FJGD	
CCC(C)=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	915908870	VOQFKKCLUJMGHR-UHFFFAOYSA-N	371.440	4.516	50	20	FJGD	
COc1ccc2ccccc2c1/C=C(/C#N)c1nc(-c2ccccc2)no1	916132317	YHHIYNVCTUOZIG-LGMDPLHJSA-N	353.381	4.963	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc3c2OCCO3)cc1	917516624	BPXISXTZOYQPHB-LUJRCDHRSA-N	362.429	4.517	50	20	FJGD	
CCc1nc([C@@H](C)NCc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	921946305	LRSBKZASTZBHLM-SECBINFHSA-N	356.364	4.875	50	20	FJGD	
N#C/C(=C\c1ccccc1Br)C(=O)c1c[nH]c2ccccc12	23218002	LRVPVSHZEPAVFP-UKTHLTGXSA-N	351.203	4.720	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc(C)c1O	107067000	LNLSXZXBYZPRGB-GHXNOFRVSA-N	362.248	4.623	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1cccc(C(F)(F)F)c1	110961082	FMDAFLRFTWANKE-CYBMUJFWSA-N	364.458	4.863	50	20	FJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)oc2ccccc12	128870278	TXNJXWPNZZTIJK-UHFFFAOYSA-N	352.287	4.656	50	20	FJGD	
COc1cccc(OC)c1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	182251243	RGJASXFYIKKUNO-MHWRWJLKSA-N	373.437	4.763	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(COC(C)C)cc2)cc1	194160923	AAOICEXREKESDQ-CPNJWEJPSA-N	364.445	4.556	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)Nc1ccccc1F	209381874	SQJOYZCNNMVUDB-QBFSEMIESA-N	350.324	4.770	50	20	FJGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1cccc2ccccc12	327288092	LUHKMYHUBMKKOA-OAHLLOKOSA-N	373.905	4.661	50	20	FJGD	
O=C(NNc1ccccc1)c1cccc(OCc2ccc(Cl)cc2)c1	732265791	HKVHQGKMCLVNDV-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cnn(-c2ccccc2)c1	747007546	XQHXLWIDEDPOTA-MOSHPQCFSA-N	370.456	4.543	50	20	FJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1ccc(Cl)cc1Cl	748017828	WOEDRSUNVHIFBP-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1C	750896866	VDCNEYZTSQMFMT-RIYZIHGNSA-N	358.800	4.650	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1csc(C2CCCC2)n1	766753491	YFWNJRJBMXKLNL-LBPRGKRZSA-N	360.317	4.654	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1	767083913	GVBSZEZSMYVUJB-QAPCUYQASA-N	350.478	4.733	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1scnc1-c1ccccc1	767942649	HRAQQDMXJNHAQI-GFCCVEGCSA-N	353.285	4.558	50	20	FJGD	
CC[C@H](O)CN(Cc1ccccc1)C(=O)CCCC[C@H]1CCSS1	772566465	YJHZYOWXXHPOCX-ROUUACIJSA-N	367.580	4.500	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc3cnccc3c2)n1	779797982	HSFJDCIKLGQTRY-CXUHLZMHSA-N	362.458	4.534	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](c1ccccc1)c1ccccn1	813030369	KIMYQHBFWCXZMT-JOCHJYFZSA-N	374.488	4.929	50	20	FJGD	
COc1ccc2ccccc2c1/C=C(\C#N)c1nc(-c2ccccc2)no1	916132316	YHHIYNVCTUOZIG-GHRIWEEISA-N	353.381	4.963	50	20	FJGD	
CC(C)CCOc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1	1115838529	LSQZJHAQAYPEEB-LGMDPLHJSA-N	358.445	4.701	50	20	FJGD	
CCCNC(=O)/C(C#N)=C/c1nc(-c2cc(Cl)ccc2Cl)cs1	125293140	AJHLSVGSXHEJOQ-UXBLZVDNSA-N	366.273	4.550	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2cn(C)nc2-c2cc3ccccc3o2)sc1C	125411786	NZDWRAKJRDEQRA-NVNXTCNLSA-N	360.442	4.971	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3nc4ccccc4cc3C)c2)c1	181311730	LKRPGDXFCZXQPE-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	191945440	IPSYUTHZCPDFPR-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
C[C@H](O)[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192255526	YHKWUKFSMKVTDO-VHSXEESVSA-N	360.348	4.579	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1csc(COc2ccccc2)n1	193691850	PVUTZFDWAVXEHT-NTEUORMPSA-N	366.467	4.882	50	20	FJGD	
COc1ccc(CCCCCC(=O)NNc2nccc3sccc23)cc1	734250401	UJZZYAOZNHCMSU-UHFFFAOYSA-N	369.490	4.551	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(-c3ccccc3)cs2)cc1	734304378	IBSXQKGGLXOEQP-YBFXNURJSA-N	358.466	4.947	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)C(c1ccccc1)c1ccccc1	746699497	CATREXSTBVYNIG-UHFFFAOYSA-N	354.812	4.754	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3cc(C)ccc3C)c(F)c2)cc1	748403070	ZPCQGSQXBWRQAV-UHFFFAOYSA-N	364.420	4.875	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1C(F)(F)F	748740862	PLSTZLWQANZDQM-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1ccc(C)c(OCCCCC(=O)NNc2cccc3cnccc23)c1	748762985	MNZXLIAZYAMJLE-UHFFFAOYSA-N	363.461	4.544	50	20	FJGD	
CCOc1cc(CN(C)/C(=C/C#N)c2ccccc2)ccc1OC(F)F	750606498	GHHBMHPTGFKJIE-GZTJUZNOSA-N	358.388	4.683	50	20	FJGD	
CC[C@H](C(=O)NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1	752795223	BYSIMXFYFHAIGD-ZDUSSCGKSA-N	358.310	4.621	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)NNc2cc(Cl)ccc2Cl)C2CC2)s1	752997159	MHISITDAILJNTG-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
O=C(NN=Cc1sc(Cl)nc1Cl)c1ccc(Cl)cc1Cl	755581760	RMVHYJYITHDZLE-UHFFFAOYSA-N	369.060	4.521	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1F	755699774	MAGJDQXZTDQOJZ-UVTDQMKNSA-N	370.387	4.795	50	20	FJGD	
CCCn1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nn1	762516780	BJOATIAQGKMGLF-UHFFFAOYSA-N	356.320	4.598	50	20	FJGD	
COc1ccccc1C(C)(C)C(=O)NNc1c(Cl)cc(F)cc1Cl	768008482	GELVHLGSABBSCK-UHFFFAOYSA-N	371.239	4.562	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1cccc2c1OCCO2	771513385	JJLJJSWSXNYMIF-DTQAZKPQSA-N	357.365	4.508	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1cc(Cl)cc(Cl)c1	791735139	VRHAROMSAZKGHO-UHFFFAOYSA-N	358.294	4.813	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)C(=O)c1c[nH]c2cc(F)ccc12	794700610	QTVOAMCPOARMIN-LIPWGUAESA-N	352.315	4.931	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)Nc1ccc(Cl)cc1Cl	794931028	IMHOCYZHRWRRJC-YVMONPNESA-N	369.154	4.523	50	20	FJGD	
CSc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1[N+](=O)[O-]	812770571	ULDVIPHWJLHIRE-UHFFFAOYSA-N	359.451	4.505	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3)oc2C)cc1	899886598	XNMAPOWEPKTCEF-UNOMPAQXSA-N	358.397	4.609	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C(=O)NC1CC1	914867512	WZTRIJDUIFYBOD-YRNVUSSQSA-N	363.269	4.907	50	20	FJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(C)c1	915989199	CCSBXXDGXIWVKT-XNTDXEJSSA-N	369.262	4.920	50	20	FJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc3ccccc3c2)cc(C#N)n1C	920154569	PTEBQINIGZRLRE-XYHOIZSOSA-N	369.424	4.570	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)c1ccccc1C	1320690985	LJPCOMKZTGBNJK-ZHZULCJRSA-N	354.409	4.856	50	20	FJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1	33402625	HYMIOFSMTJQCSH-VKAVYKQESA-N	352.409	4.940	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1	128435995	KMAJAZWRZCLZCN-QPEQYQDCSA-N	368.805	4.831	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccccn2)c1	183390263	IGEMOJGXGMOYJR-FOWTUZBSSA-N	359.360	4.559	50	20	FJGD	
CC1(C)[C@H](O)C[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192255385	ZIKQMQUYGLYTQP-GHMZBOCLSA-N	360.348	4.625	50	20	FJGD	
Cc1cn2c(/C=C(/C#N)C(=O)Nc3cccc4ccccc34)c(C)nc2s1	206029949	RNCPPRIEXRNNKB-YBEGLDIGSA-N	372.453	4.712	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC(F)F	213095565	SXAUFJYEZPBRFQ-ZROIWOOFSA-N	361.319	4.616	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C/c1cnc(C)s1	255326565	SZKFSSSUNKPFGU-VOTSOKGWSA-N	357.504	4.801	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1c(-c2ccccc2)nc2ccccn12	744858925	HYVXGDKBOBHFAF-LGMDPLHJSA-N	353.381	4.693	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(Br)c(C)c2)c1	746393914	MKHLXGFTTZYMJZ-DHDCSXOGSA-N	356.219	4.556	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(Oc2ccccc2Cl)nc1	748301241	BGKBASVUCUJJQT-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)nc3)n2)cc1	748996862	BKQGNGYKRBVDMT-ZSOIEALJSA-N	353.834	4.931	50	20	FJGD	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H](Br)C(C)(C)C)C1	768192132	LDCPOTUBKPXEBY-UGFHNGPFSA-N	356.279	4.545	50	20	FJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1cccc2c1OCCO2	771514907	WGCVWBXZVWDCNF-XFXZXTDPSA-N	360.196	4.554	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2c(c1)-c1ccccc1C2	777464362	KQWQGBBXLLEKLH-UHFFFAOYSA-N	351.409	4.563	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1	782451202	MQPZKFPVEYKCAE-LUYJPIOASA-N	368.433	4.582	50	20	FJGD	
CC(/C=C(/C#N)c1nc(-c2ccc(C)cc2)no1)=C\c1cccc([N+](=O)[O-])c1	787167544	DCESHNWNCUASPR-APPSXPISSA-N	372.384	4.964	50	20	FJGD	
COc1cc(NNC(=O)c2cccc(-c3csc(C)n3)c2)ccc1Cl	790175623	KGBIHKUAXVHZQB-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)ccc1OC	794884858	NFXXMRUTJYRASI-XDHOZWIPSA-N	372.424	4.822	50	20	FJGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	808713530	IROOVVSFPFWWDZ-ZANVPECISA-N	374.375	4.833	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ncsc2C(C)C)c1C	809393822	GYMDYERWTFXYAT-SXGWCWSVSA-N	356.495	4.641	50	20	FJGD	
COC[C@@H](NCc1ccc(OCCCCl)cc1)c1cccc(Cl)c1	811507602	HZDKHARBKGUCSD-LJQANCHMSA-N	368.304	4.825	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)c1ncc(C(F)(F)F)cc1Cl	812241823	NHMOWUPJXLJCLJ-WMZJFQQLSA-N	356.706	4.966	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245414	RLSAIJAZKVRLSB-SFQUDFHCSA-N	357.369	4.730	50	20	FJGD	
C[C@@H](Cc1cnccn1)NCc1cccc(S(F)(F)(F)(F)F)c1	840893767	QJOYEQBODDGYRZ-NSHDSACASA-N	353.360	4.855	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2nc(O)n(C(C)C)c2c1	854579474	QJTSJXPRRHCUOZ-UHFFFAOYSA-N	366.465	4.512	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	856465069	VKVUCFQHMGMXHW-SUHUHFCYSA-N	371.371	4.577	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cn1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	914531151	VKIAOVNCUFEYHM-IDWSFWJTSA-N	373.890	4.738	50	20	FJGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2s1	915972063	HAQRQRJGIWBNNY-UHFFFAOYSA-N	359.454	4.532	50	20	FJGD	
COc1ccc2ccccc2c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	916308851	VLLYYXIJHWWJIQ-UHFFFAOYSA-N	362.473	4.515	50	20	FJGD	
Cc1ccccc1OCCCN(C)C(=O)CCCC[C@@H]1CCSS1	918367784	LTECUTNCGLTXGX-QGZVFWFLSA-N	367.580	4.936	50	20	FJGD	
CCCCCOc1ccc(/C=C(/C#N)c2nc(C(=O)OCC)cs2)cc1	920386640	DDTNAVLFQPZLOI-VBKFSLOCSA-N	370.474	4.953	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1OCC	11297566	VNCULZCRBKHISS-GZTJUZNOSA-N	365.816	4.541	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)c1cc(Cl)cc(Cl)c1	176955196	ALXXUOKCSWVXRF-CHHVJCJISA-N	372.255	4.778	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1ccccc1C(F)(F)F	198301448	FHVWKHXFILRCNM-GDNBJRDFSA-N	370.330	4.570	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1OC	207895276	ASIKEIZFHCNHSR-WJDWOHSUSA-N	358.397	4.531	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)cc1	211653783	VPBIYKFXPCXGEM-OWBHPGMISA-N	362.360	4.640	50	20	FJGD	
CC(C)n1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1	732714231	UNTCVUAFDDGSTQ-PDGQHHTCSA-N	372.428	4.802	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3[nH]ccc3c2)c1C	733128558	NNBZKGXGEAEYRV-UNOMPAQXSA-N	360.461	4.932	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)Nc1ccc(-c2ccccc2)cc1	743805764	PNCOZYRTGPAAKZ-UHFFFAOYSA-N	372.350	4.916	50	20	FJGD	
O=C(CCCc1ccc(Br)s1)NNc1ccccc1Cl	746033876	NIEZAWMMBXAYSZ-UHFFFAOYSA-N	373.703	4.630	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F	750906223	QMDZFXXXRPKXNV-ZFASXLDDSA-N	366.327	4.960	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)Nc1ccc(Cl)cc1	759115570	DLPYAWNHNDWLLE-RAXLEYEMSA-N	351.768	4.573	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Br)c(C(F)(F)F)c2)c1	768934015	KOEVIGBZEDRDLB-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(CCC(F)(F)F)c1	775666286	CSQMSENZYJYATM-UHFFFAOYSA-N	359.298	4.608	50	20	FJGD	
CC(C)(C)OCc1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	775667814	VYHQOBGPKRYKFO-UHFFFAOYSA-N	364.449	4.699	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc12	787461842	QMCKZKFEUXWSCT-LBPRGKRZSA-N	361.367	4.824	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@@H](C)c1c[nH]c2ccccc12	787497713	DFIGLXLIBYZAEK-CQSZACIVSA-N	358.445	4.661	50	20	FJGD	
COC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	787656586	BPJFWLVNNCTNNO-HZPDHXFCSA-N	373.971	4.858	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(-c2ccccc2Cl)o1	788193125	NVZQOROUEKOYEP-UHFFFAOYSA-N	360.772	4.505	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cc1	788361736	CKWOIHCNRVFALT-XGHPXPSOSA-N	358.422	4.982	50	20	FJGD	
CCCN(N=Cc1ccc(OC(F)F)c(OCC)c1)C(=O)OC(C)(C)C	794997501	UAPZJZRPFCVBAL-UHFFFAOYSA-N	372.412	4.668	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1	799391578	VSZFQENOUPZAHT-UHFFFAOYSA-N	364.449	4.978	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc2nc(C(F)F)sc2c1	806696789	FQGQIWQMONCVMK-UHFFFAOYSA-N	366.368	4.830	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1OC	810217481	FIWGHEAKRCHCSS-YBEGLDIGSA-N	355.821	4.927	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812244848	JIMKKUWGRYFJTR-PTNGSMBKSA-N	373.416	4.537	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc(OC)c1O	812247998	BICCIKBXQVLNDB-RIYZIHGNSA-N	360.335	4.607	50	20	FJGD	
CCn1nc(C)c(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	171046046	KOFZLENYMFWDFZ-RQZCQDPDSA-N	359.458	4.579	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(-c3ncco3)c2)cc1	178415948	HRSYVTMBUVHUNC-SFQUDFHCSA-N	373.412	4.594	50	20	FJGD	
O=C(C[C@@H]1CCCOC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	193474523	JFGJKWXERUUFGK-IINYFYTJSA-N	367.820	4.661	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c1	255158285	QXDQJQKVEGJXRC-GDNBJRDFSA-N	368.795	4.952	50	20	FJGD	
Cc1ccc(C)c(SCC(=O)NNc2ccccc2C(F)(F)F)c1	302853634	YQNQJWYBMWGKBI-UHFFFAOYSA-N	354.397	4.558	50	20	FJGD	
O=C(NNc1ccccc1)c1cc(-c2ccccc2)nc2cc(F)ccc12	303472716	OBJQDUASKSNROX-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc(Cl)s1	588425922	WFBRJJLFZSLXJQ-JXMROGBWSA-N	357.797	4.721	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(Cl)c1	727254144	PHNNQTZFINIBMS-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3cccs3)n2)cc1	728437942	LIYPXPGYIDVXAN-UVTDQMKNSA-N	365.483	4.980	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cnc2ccc(Cl)cn12	737444012	MOWSDRRQRKXZID-JYRVWZFOSA-N	360.804	4.567	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3C[C@@H](C)C[C@@H](C)C3)s2)cc1	747750775	DXDDAZAOPPTCKT-BETUJISGSA-N	371.506	4.548	50	20	FJGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)Nc1ccccc1Oc1ccccc1	748438802	GIDDSZVNNGIRPE-LFIBNONCSA-N	371.421	4.958	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1c(Cl)cccc1Cl	748994327	MJMCGRCSSYHOLS-POHAHGRESA-N	352.608	4.587	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1nc(C(F)(F)F)cs1	754256330	CXPNZTIHADIERX-GHMZBOCLSA-N	369.412	4.595	50	20	FJGD	
CCc1c(C(=O)NNc2cc(Cl)ccc2Cl)cnn1CCC(C)C	756874903	GETBMOICIDASET-UHFFFAOYSA-N	369.296	4.555	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1cccc(C(F)(F)F)c1	780528253	SMHAXSPYBZHHJT-WUXMJOGZSA-N	364.254	4.543	50	20	FJGD	
COc1cccc(NNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)n1	780772832	IIZOZHHNTPTDCT-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC(F)(F)F)C(C)C)c1C	782946020	OEQGQYSGMBDFKB-NDCSFFLDSA-N	369.431	4.515	50	20	FJGD	
CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H](O)c1ccccc1	790399916	HUSMWHOHKDPOPZ-YTQUADARSA-N	367.580	4.575	50	20	FJGD	
CSSCCNC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1	790895362	NPFYKQAGQGJLHC-VIFPVBQESA-N	353.340	4.707	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1Oc1ccncc1	801175989	NEUHSCLNCMQATJ-UHFFFAOYSA-N	359.429	4.510	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3cccc(C#N)c3)o2)c1C	1117231853	OUTMFIBOKULZQP-ODLFYWEKSA-N	357.417	4.501	50	20	FJGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c1	1322546508	MAUSULPDRZMXQG-LCYFTJDESA-N	360.196	4.570	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)[C@H](C)CC)o2)cc1	726429636	MMCVLDLELZFDHS-RFRKOGIWSA-N	351.402	4.645	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc([C@H]2C[C@@H]2C)o1	732765127	JHJLENXQZMFMHK-LRDDRELGSA-N	365.458	4.599	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1cccc(Nc2ccccc2)c1	735686244	OAKSSQLCIKZKPT-UHFFFAOYSA-N	360.442	4.797	50	20	FJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc(C#N)o3)c2C)cc1C	742350386	ZGXMARKNQZFJRC-WOJGMQOQSA-N	369.424	4.966	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CCSc2ccccc21	743296003	FJOLRSKFUJJRSA-AWEZNQCLSA-N	369.877	4.611	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCCc2ccc(Br)s2)c1	746125161	BVEZYDQHJRCCPC-UHFFFAOYSA-N	367.312	4.593	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)cc1C	748673554	LCRDSQARBBWWRM-UHFFFAOYSA-N	354.475	4.954	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F	752143126	AJNOXPQNAMKYDW-JTQLQIEISA-N	374.309	4.500	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(COC2CCCC2)cc1	752437687	MKUXOPHDWKOREO-QGOAFFKASA-N	364.420	4.831	50	20	FJGD	
O=C(CCCn1ccnc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762518883	SJMAMXXXQVUEOA-UHFFFAOYSA-N	355.332	4.959	50	20	FJGD	
CCn1ncc2ccc(NC(=O)NNc3c(Cl)cccc3Cl)cc21	775576949	HWEFDCYUGWAFLI-UHFFFAOYSA-N	364.236	4.512	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1COC(C)(C)C	777477898	YMJBHMWDBVSQRZ-UHFFFAOYSA-N	363.461	4.615	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	779751481	IPMOHVMVFFDBGU-LFIBNONCSA-N	354.837	4.901	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	780372590	ABHPTSBSUKVFOB-CXUHLZMHSA-N	373.378	4.735	50	20	FJGD	
C[C@H]1COc2ccccc2CN1C(=O)CCCC[C@@H]1CCSS1	782737657	ZDZMJNLBFQPNOG-GOEBONIOSA-N	351.537	4.510	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C)CCC(F)(F)CC2)c1C	784139090	VHHZFGCRAKHZDV-SFQUDFHCSA-N	363.452	4.506	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1c[nH]cc1-c1ccccc1F	787462461	YDXSQOXSAMIIQB-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl	790187054	MSKXDLNNPXEZGJ-UHFFFAOYSA-N	352.821	4.773	50	20	FJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(C)cc1Cl	794907705	LTGUTHDFRTVVBJ-UHFFFAOYSA-N	360.244	4.915	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Cc1sc(C)nc1-c1cccs1	799756591	FOMMOWASUUFMBY-UHFFFAOYSA-N	371.531	4.737	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1c(-c2cccc(Cl)c2)noc1C	799757873	NEFXQADVELIRFM-UHFFFAOYSA-N	369.852	4.931	50	20	FJGD	
Cc1cc(F)cc2c1CN(C(=O)CCCC[C@H]1CCSS1)CC2	800367388	GKCINECVHDSLGM-INIZCTEOSA-N	353.528	4.733	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)c(C(F)(F)F)cc1F	804469980	JKHVLIWYLJTHSX-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cscc1C(F)(F)F	811636920	NXSLUABZGUTSOP-UHFFFAOYSA-N	362.376	4.613	50	20	FJGD	
CCCc1c(C(=O)NNc2c(C)cccc2C(C)C)[nH]c(C)c1C(C)=O	812769570	NCWZEAJLQHVRDM-UHFFFAOYSA-N	355.482	4.667	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CC[C@H]1C1CC1	814760327	JNGUKYSPLMRLJG-ZDUSSCGKSA-N	359.882	4.557	50	20	FJGD	
CCOc1ccc(NNC(=O)CCCc2cccc(C(F)(F)F)c2)cc1	817885642	HUJQBWDNUBBHID-UHFFFAOYSA-N	366.383	4.570	50	20	FJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)OC(C)(C)C	915994325	KTCZUCCUYMHVFJ-UHFFFAOYSA-N	351.516	4.660	50	20	FJGD	
CN(N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)OC(C)(C)C	920381471	STZRCJZRTUEYND-UHFFFAOYSA-N	361.423	4.524	50	20	FJGD	
O=C(NCC[C@@H](O)C1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	930844566	DJZWLQRTNJYBOR-GFCCVEGCSA-N	360.348	4.627	50	20	FJGD	
CC(C)n1ncc2c(C(=O)O)cc(/C=C\c3cccc(CCl)c3)nc21	1776396224	VWNPSQVHCIMKQZ-SREVYHEPSA-N	355.825	4.620	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1cc2ccccc2o1	176387562	QAVIMMUDOKBWTR-NTEUORMPSA-N	357.344	4.752	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12	195620328	CWZWOIRECVSJTR-XNTDXEJSSA-N	372.815	4.797	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	255498697	AXCBCXKMQHPLPZ-ZSOIEALJSA-N	361.228	4.685	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)o1	255776627	SATRBSPCEIFDIG-UVTDQMKNSA-N	350.399	4.644	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCCO3)c1C	727655211	REUYCHDZFHUNEC-SXGWCWSVSA-N	367.832	4.908	50	20	FJGD	
O=C(NNc1c(F)cccc1F)N[C@H](Cc1ccccc1)c1cccs1	735758071	KBLQDAHJXRQUHK-MRXNPFEDSA-N	373.428	4.636	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	742346792	PKNFNOBWGNQXKK-MKMNVTDBSA-N	361.228	4.685	50	20	FJGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1cccc(C(F)(F)F)c1	743299711	JHIPSSFNWWUYDR-LBPRGKRZSA-N	354.347	4.557	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1occc1-c1ccccc1	748730687	BQHAGWFWNYEPIU-UHFFFAOYSA-N	371.234	4.774	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1sc2ccccc2c1Cl	751173758	GTDCAWLIZLVTOT-UHFFFAOYSA-N	363.778	4.691	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3cc(C)ccc3F)s2)c(C)c1	760137482	VQCJOSBYJKXALI-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
N#C/C(=C/c1cc(O)ccc1Br)c1ccc2ccccc2n1	769774367	UIMYEXRCTZGXIA-ZROIWOOFSA-N	351.203	4.767	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)c1nc(-c2ccc(C#N)cc2)cs1	772798635	WHDHOQPQRCOKDR-IUXPMGMMSA-N	356.385	4.757	50	20	FJGD	
C=C1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777941584	ZQHDBNOGQFWKMR-UHFFFAOYSA-N	363.373	4.685	50	20	FJGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNc3ccc(C(C)(C)C)cc3)c12	780806248	FCDNRCBYUZZZSS-UHFFFAOYSA-N	366.465	4.709	50	20	FJGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNc1ccccc1OC(F)(F)F	782089295	XPJISUYXPHOKPZ-UHFFFAOYSA-N	364.327	4.524	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)Nc1ccc(F)c(Cl)c1	789128821	BTNGEKOIJJJHAC-POHAHGRESA-N	373.796	4.741	50	20	FJGD	
Fc1ccc2c(c1)OCCC[C@H]2NCc1ccc(OCCCCl)cc1	811485826	COGRXTDMIMIZSY-LJQANCHMSA-N	363.860	4.837	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1C[C@H](c2ccc(F)cc2)C1	814347363	MJMOOEBVWRKPRL-XIRDDKMYSA-N	353.528	4.902	50	20	FJGD	
CCC1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)COC1	836511147	BLAOOXIWBSFQDZ-UHFFFAOYSA-N	360.348	4.892	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccccc2F)c1C	914480721	IHYNJWZAZLRTNH-NFBGKYEXSA-N	367.468	4.781	50	20	FJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC(F)F	915983971	KBKSRXSINGMXKN-UHZMKECTSA-N	368.811	4.543	50	20	FJGD	
Cc1csc(SCc2ccccc2C(=O)NN(C)c2ccccc2)n1	920862090	NQRQYNCLSYXPSK-UHFFFAOYSA-N	369.515	4.525	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3nc4cc(F)ccc4s3)cc2)cn1	1321228153	FABBLVXXKWFPBP-NVNXTCNLSA-N	360.417	4.900	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)c1C	14825705	LDGMZZNKVLIAQB-LFIBNONCSA-N	364.474	4.670	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)ccc1OC(F)F	48417613	ZPEFWLMUHYFKIL-RIYZIHGNSA-N	369.323	4.833	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(C2SCCS2)cc1	120762638	ZBLOWSWVQWNTOG-UHFFFAOYSA-N	350.896	4.576	50	20	FJGD	
CSc1ccc(C)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	128955084	FOTAWACIOQCRPA-UHFFFAOYSA-N	358.360	4.632	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3ccc(C(F)(F)F)cc3)c(C)c2c1	153689329	GUQMTWYOGKKGTN-UHFFFAOYSA-N	364.323	4.526	50	20	FJGD	
Cc1cc(C)nc(NNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)n1	170666085	QVYXSPLQHRLMDH-UHFFFAOYSA-N	372.881	4.541	50	20	FJGD	
C[C@H]1[C@H](C)CCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193432097	UISJRWWJRHWKII-ZJUUUORDSA-N	372.359	4.539	50	20	FJGD	
N#C/C(=C\c1cccc2c1OCCO2)c1nc(-c2ccc(C#N)cc2)cs1	194578620	GBINMCLLZDBTFK-LICLKQGHSA-N	371.421	4.517	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1sc2ccccc2c1Cl	727759177	SHBLAYHFPQNCAZ-UHFFFAOYSA-N	356.756	4.729	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(C)s2)c1C	728006233	XVPHSSFFERTXRH-XDHOZWIPSA-N	369.534	4.841	50	20	FJGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1cccc(OC(F)F)c1	728434298	GZIAEIMSUNGTPU-UHFFFAOYSA-N	360.404	4.762	50	20	FJGD	
COc1cc(Cl)ccc1CNC(=O)CCCC[C@@H]1CCSS1	730792769	JHFDNLJWKSKDSW-CQSZACIVSA-N	359.944	4.679	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCOC(C)C)c(C)n1C1CCCCC1	733411502	GODDHFNEUPSSCG-XSFVSMFZSA-N	372.509	4.875	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2cn(C)nc2-c2cc3ccccc3o2)sc1C	741474116	NZDWRAKJRDEQRA-OVCLIPMQSA-N	360.442	4.971	50	20	FJGD	
Cc1ccc(OC[C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1	742434142	ZLPRWUSHJCMTEW-NVXWUHKLSA-N	353.553	4.593	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c(C)c2)c(C)c1	746393371	KJOIDDGTSSUAAZ-YBEGLDIGSA-N	369.262	4.920	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1SCCc2ccccc21	749483459	VTKFRJHPSMALEX-RDJZCZTQSA-N	367.605	4.847	50	20	FJGD	
C[C@H]1C[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1C	752981422	SDXARKUCWFQVCU-JQWIXIFHSA-N	373.391	4.948	50	20	FJGD	
C#C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CCCO1	752982017	WAJCXKQORJENQI-QWHCGFSZSA-N	370.343	4.646	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3cc(C)ccc3F)sc2C)cc1	760136971	JTXBIBVVUIAPIL-UHFFFAOYSA-N	370.449	4.937	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccnc3cc(Cl)ccc23)o1	761491268	SQKQFMUTNMUDRL-WBMJQRKESA-N	369.852	4.681	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(Oc2ccccn2)c1	775649120	GQQQTIWBLSZOGO-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
COc1cc(NNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)ccc1Cl	790189727	SAELONNOQDKWQP-UHFFFAOYSA-N	357.841	4.710	50	20	FJGD	
CSSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1	790880232	SROZCNJAVBURTD-AWEZNQCLSA-N	372.968	4.801	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H](CCO)C2)cc1	792867295	OOSFLUCNCXWLBU-GOSISDBHSA-N	363.618	4.803	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1	794875393	USABTZGHKOEBKU-VBKFSLOCSA-N	351.402	4.645	50	20	FJGD	
COC[C@@H](C)Nc1ccccc1NC(=O)CCCC[C@H]1CCSS1	798051104	YZJSCYOUGGETRQ-CABCVRRESA-N	368.568	4.786	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNc3cccc(F)n3)sc2c1	804773253	SKPHOIMMAARLPH-UHFFFAOYSA-N	363.845	4.969	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(F)cc1Br	812766248	LFJOQULDCOMAQC-UHFFFAOYSA-N	365.246	4.777	50	20	FJGD	
CC(C)(C)c1ccncc1CNC(=O)CCCC[C@H]1CCSS1	839828230	SOFVBXGPVLONCA-HNNXBMFYSA-N	352.569	4.709	50	20	FJGD	
CCCC[C@@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841180241	YVFXSANLYRTRCY-NSHDSACASA-N	361.380	4.983	50	20	FJGD	
CCC[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	913187604	ILBDCKPWYXJNGL-INIZCTEOSA-N	353.853	4.915	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(CN2CCCC2)c1	1317860078	NPHZIONCHIFRMX-SFHVURJKSA-N	364.580	4.935	50	20	FJGD	
C[C@H]1CC[C@@](NCc2cccc(O[Si](C)(C)C(C)(C)C)c2)(C(=O)O)C1	1776630165	OYKIUBKSSOPYDK-YWZLYKJASA-N	363.574	4.804	50	20	FJGD	
N#C/C(=C\c1c(OC(F)F)ccc2ccccc12)C(=O)NC1CCCCC1	7157696	PTOULIUGDFBULV-NTCAYCPXSA-N	370.399	4.797	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)o1	114991091	XRZLRAAVXDBVDH-QINSGFPZSA-N	362.408	4.776	50	20	FJGD	
CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	183572015	NIVGAZXTUZASQG-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
COCCC1(CNC(=O)CCCC[C@H]2CCSS2)CCCCC1	185401106	CESUHUMZZLRWQB-INIZCTEOSA-N	359.601	4.804	50	20	FJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cccnc3)c2C)cc1C	212055937	SKWQKSBHOUWGTB-NDENLUEZSA-N	355.441	4.896	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(Cl)ccc1Cl	588421359	RQJMMSJFSXWDJH-YVMONPNESA-N	368.201	4.509	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCCSc1ccccc1	726198444	LKUFWKPDAOOETD-INIZCTEOSA-N	355.594	4.999	50	20	FJGD	
O=C(CCCOc1ccccc1Cl)NNc1cccc(C(F)(F)F)c1	728716755	LEEDXTNFOILEMY-UHFFFAOYSA-N	372.774	4.661	50	20	FJGD	
C[C@H](C(=O)NNc1cc(F)c(F)cc1F)c1c(Cl)cccc1Cl	734551538	CXWAMFINKWEUBI-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
Cc1ccc(NC(=O)NNc2nc3cc(C(F)(F)F)ccc3s2)cc1	743813999	OAFSZCLPWXFSFT-UHFFFAOYSA-N	366.368	4.772	50	20	FJGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1ccc(Cl)cc1Cl	748018556	FAPJXGRJYPPDTE-FPLPWBNLSA-N	364.257	4.760	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1	748018723	ISQFEDWXISVNGL-BDAKNGLRSA-N	355.187	4.805	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnc(C2CC2)s1	748672963	RSEFOXCBWAWICZ-UHFFFAOYSA-N	357.504	4.971	50	20	FJGD	
COc1cccc([C@@H](C)CC(=O)NNc2ccnc3cc(Cl)ccc23)c1	753328513	CDQRZHNASODTCU-ZDUSSCGKSA-N	369.852	4.534	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3cc(C)ccc3F)c(F)c2)cc1	760133814	KHQALFDULVBKCV-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
Cn1c(/C(C#N)=C\c2cccc(C(=O)OC(C)(C)C)c2)nc2ccccc21	777871119	YDENAMZVUWYYLP-LGMDPLHJSA-N	359.429	4.593	50	20	FJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1ccccc1OC(F)F	780006350	ZQVWXDWPTUZESE-MHWRWJLKSA-N	350.324	4.626	50	20	FJGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	782088033	PGBZLAMGOGSRGF-UHFFFAOYSA-N	364.327	4.524	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)c1ccccc1OC(F)F	782197218	QBCFNYXWXKTHEK-XFFZJAGNSA-N	351.711	4.870	50	20	FJGD	
Cc1cc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)c2ccccc2n1	783791852	IXESYVJVEABQIY-UHFFFAOYSA-N	363.848	4.860	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)c1nc2cc(F)ccc2s1	787170543	XDXNDXIJOUUMJZ-POHAHGRESA-N	358.781	4.851	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	791734919	SKOUFACZBSKZIT-IUCAKERBSA-N	355.187	4.805	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3cccc(Cl)n3)c2c1	817004639	KLMMKPMBZYSJRF-UHFFFAOYSA-N	366.852	4.534	50	20	FJGD	
C[C@H](CCCc1cccnc1)NC(=O)CCCC[C@@H]1CCSS1	837758075	HLFFYZYHTWESAC-NVXWUHKLSA-N	352.569	4.623	50	20	FJGD	
CN(CC(C)(C)CN)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179840	TUJQKPUENQXSIU-UHFFFAOYSA-N	361.380	4.793	50	20	FJGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNc2ccc(OC(F)F)cc2)c1	857474200	VZZPLDFWZWATQX-AWEZNQCLSA-N	362.420	4.733	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc3ccccc3c2)c1C	915850730	UBROVYCLMSTHQM-UNOMPAQXSA-N	372.424	4.751	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H]2CCSc3ccc(F)cc32)c(C)c1	916222330	ZHBPOQNNUNOECX-INIZCTEOSA-N	359.470	4.614	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(F)c(Br)c1	7157914	XEZISXAVEXRCPH-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1ccc(Cl)cc1F	90988232	GVFQNEUEULQSMR-JLHYYAGUSA-N	358.800	4.852	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)c1ccc(Cl)cc1F	179606505	BGPNZSABYYDWJK-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	188446570	OYGOQQJMXVPRMN-CAVPUYEOSA-N	371.440	4.534	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(Br)cc3F)[nH]c12	735618753	FIUJWTCBBJBZTR-KPKJPENVSA-N	356.198	4.837	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c(SC)cc1OC	741165528	NLCAYTNIJHGLFQ-SXGWCWSVSA-N	367.470	4.832	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)[C@H](Sc1ccccc1)c1ccccc1	743815606	GFYQLTVFKOVUMU-GOSISDBHSA-N	369.877	4.712	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1cc2ccccc2o1	749823124	IQWAIWOEORBTHT-UHFFFAOYSA-N	363.200	4.512	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccnc(Oc2ccccc2)c1	752809417	BETJEMGBRIQTCY-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1C	752977289	OWJKCNPRDFBVMJ-GHMZBOCLSA-N	373.391	4.900	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1nccn1-c1ccccc1	764374972	ADISWQUPJQIRJD-INIZCTEOSA-N	362.520	4.630	50	20	FJGD	
Cc1cc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)ns1	766389648	SKOARAAWBLKHCO-GFCCVEGCSA-N	366.817	4.923	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1OC	772178436	FSMXRWVDDKTGDA-NGWPFTMJSA-N	353.393	4.801	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773158664	DKCAVFQMLWPSEN-XBXARRHUSA-N	360.719	4.744	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c1Cl	774558812	NYXHAJJBAJPZBR-GDNBJRDFSA-N	358.829	4.926	50	20	FJGD	
Cc1cc2nc(-c3ccccc3)cc(C(=O)NNc3ccccn3)c2cc1C	777472255	CNYTZGFMIXWNST-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
CC(C)(C#N)CC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	782180459	XTGUPBRYQNMACT-GFCCVEGCSA-N	350.793	4.784	50	20	FJGD	
N#C/C(=C\c1cc(C(=O)O)cs1)c1nc(-c2ccc(C#N)cc2)cs1	782199594	HVVYHPCEUUZUFC-WLRTZDKTSA-N	363.423	4.506	50	20	FJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(C(C)C)cc2)cc(C#N)n1C	783454251	BAAPJLDUSWYOFZ-OVEPSTSESA-N	361.445	4.540	50	20	FJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1	794869860	OFASLYMHQXLASV-KPKJPENVSA-N	350.727	4.962	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1	817915295	HPGIJMSZZPOXNM-UHFFFAOYSA-N	358.747	4.514	50	20	FJGD	
CCCCOc1ccc(C=NNC(=O)c2ccccc2Cl)cc1OCC	1115813264	YRDGTVWPTWLDCN-UHFFFAOYSA-N	374.868	4.682	50	20	FJGD	
O=C(NN=C1CCC[C@@H](C2CCCCC2)C1)Nc1ccc(C(=O)O)cc1	1776046715	DCVCKGMZQNWLLQ-MRXNPFEDSA-N	357.454	4.633	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(F)(F)F)cc2)cc1	6947512	RWUJCOWYLGOUOU-KAMYIIQDSA-N	360.335	4.650	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1ccc(SC(F)F)cc1	112570212	YWAHPFYQYTWUFZ-FLIBITNWSA-N	366.339	4.825	50	20	FJGD	
N#C/C(=C\c1nccn1CC(F)(F)F)c1nc2cc(Cl)ccc2s1	171115063	XUNGLYYGXVECRE-WEVVVXLNSA-N	368.771	4.773	50	20	FJGD	
O=S(=O)(Nc1cccnc1)c1ccc(S(F)(F)(F)(F)F)cc1	181317172	NEKDVRPQYYFMRM-UHFFFAOYSA-N	360.329	4.540	50	20	FJGD	
CC1(C)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1O	279632652	UVLJOHNXGRSKTG-LLVKDONJSA-N	360.348	4.579	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1csc(COc2ccc(Cl)cc2)n1	726429787	VXJPRMDHPZTXLT-OEMOTLHWSA-N	360.866	4.898	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)C(=O)Nc1ccc(F)cc1	731488913	VGKHHGUWZQAFDN-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
CC[C@H]1CCCC(=NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C1	734978178	WMJURYXHNAZUSP-INIZCTEOSA-N	360.498	4.806	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccc(Oc2ccccc2)c1	740091745	SRPSDGSHYIXZKG-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1OC	743764027	HYRJYMKXNWQDGG-UHFFFAOYSA-N	356.466	4.556	50	20	FJGD	
CCC[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccccn1	752960851	YUTMPMXBXSVKGI-CQSZACIVSA-N	353.253	4.556	50	20	FJGD	
COC[C@@H]1CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981452	YOBRFMSZQTXRRO-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)NCc1cccc(Cl)c1	761385346	LRXIMWSTUXIIRL-XFFZJAGNSA-N	370.783	4.644	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c2ccccn12	773173505	XCMSESDQCJZYBS-ZROIWOOFSA-N	351.356	4.526	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cccc(-c3cccnc3)c2)ccc1[N+](=O)[O-]	774562438	VLTOVMHODNLPPX-ODLFYWEKSA-N	357.369	4.730	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2F)c1C	794952219	HASBBEQQPIBLRE-NTEUORMPSA-N	357.404	4.680	50	20	FJGD	
O=C(NN=Cc1cscc1C(F)(F)F)c1ccc(Cl)cc1Cl	811635305	SKRXRYYCUWBVDM-UHFFFAOYSA-N	367.179	4.838	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2N(C)c2ccccc2)cc1	817889278	CQEYSPMWYAFQKW-UHFFFAOYSA-N	361.445	4.610	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@]12CCNC2	904419180	PKWAKDZESKMSJA-CQSZACIVSA-N	371.375	4.704	50	20	FJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C)cc2)CCC1	1787701017	FLDCIQKPDHWNKO-MRXNPFEDSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccc(F)cc1	8202649	UFXZLJWAWROKNZ-RVDMUPIBSA-N	362.316	4.784	50	20	FJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3cccc(Cl)c3)c12	47075338	BAOOJROTGPADKC-UHFFFAOYSA-N	370.840	4.634	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC	50234349	ZNCWXCUVKRXKMQ-YBEGLDIGSA-N	360.413	4.503	50	20	FJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2cccc(C(F)(F)F)c2)s1	151474718	OXTNNQGCILEHTK-BQYQJAHWSA-N	369.412	4.616	50	20	FJGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNc1cccc(F)c1	178929184	DDTAHXUHNSEKLP-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	255895076	SRKDVOODOIVFDR-NVNXTCNLSA-N	350.805	4.758	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc(Cl)c1OC	727655215	RFGFFNREHLXAKO-OVCLIPMQSA-N	355.821	4.764	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(Cl)ccc3OC(F)F)nc12	741471382	YIAFXHXMZOPBRG-WDZFZDKYSA-N	360.751	4.585	50	20	FJGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1c[nH]c2ccccc12	744596164	GQNYLCBYNCLHPO-UHFFFAOYSA-N	353.834	4.800	50	20	FJGD	
Cn1cc(C(=O)NN=Cc2sc3ccccc3c2Cl)c2ccccc21	744780309	IEKOSKDIJSQMNZ-UHFFFAOYSA-N	367.861	4.810	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)OCc1ccccc1	748666613	CINHXSILMOBYMP-OAHLLOKOSA-N	368.502	4.928	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OC	749453401	SMXVHWBABOQVQD-ZKMNFCBKSA-N	361.445	4.823	50	20	FJGD	
CCN(C[C@@H](C)C#N)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	751336660	KHTJZBVVPSPWMH-DEFALTHMSA-N	366.509	4.525	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc(-c2ccoc2)c1	760767160	MHUAFHKCSQYSPJ-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1Br	767886921	OOWCWJWIGDHRMG-DHDCSXOGSA-N	366.218	4.872	50	20	FJGD	
CCC[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccccn1	768072874	QYMWFIHGCMGVFB-AWEZNQCLSA-N	371.243	4.695	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1nc(C2CCCCC2)cs1	768756796	PJWOZZFFQGGWKA-YBEGLDIGSA-N	368.458	4.547	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(-c3ccccc3Cl)c2)cc1	780805985	NMCRJVWMLHVJGO-UHFFFAOYSA-N	368.868	4.580	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ncsc1-c1ccccc1	783674995	SVYTUKDSMRHYRQ-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(COc2ccccc2)cc1	787494955	RGEHKARCKMTKEL-RGEXLXHISA-N	370.408	4.517	50	20	FJGD	
N#C/C(=C\c1cscc1Br)C(=O)c1cc(F)cc(F)c1	794689956	FFVNXAZPDJIIFJ-XLUWADSXSA-N	354.175	4.579	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc(-c2ccc(F)cc2)nc1C	799760442	HLMFWELKFGCSCP-UHFFFAOYSA-N	369.465	4.885	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)ccc1OC	812246255	HKQNNBZAUATYQZ-ZSOIEALJSA-N	362.351	4.710	50	20	FJGD	
CC1(C)C[C@]1(C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	850690762	GPPXGBUQAXJPBK-AWEZNQCLSA-N	372.359	4.587	50	20	FJGD	
C[C@H](C[S@@](C)=O)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	893554733	AGMNOQUSYIXFQT-CFMSYZGJSA-N	351.406	4.543	50	20	FJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cccnc3)c2C)cc1	915856091	SOFBQNKCYNQDMY-MOSHPQCFSA-N	355.441	4.841	50	20	FJGD	
Cc1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	916285044	NRUQDDCULXNJDO-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)c1ccccc1	920062908	FQVLJRHWHOTAEJ-KAMYIIQDSA-N	368.223	4.969	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2Cl)c(C)s1	104122511	NAUKLRHYJGIEOD-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)c1nc(-c2ccc(C#N)cc2)cs1	180711958	ZQEBOVQXVVEWNT-NTUHNPAUSA-N	364.411	4.716	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)noc2C2CC2)c1C	182831912	RWQICUSFWJTDGJ-WOJGMQOQSA-N	366.465	4.625	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)C1(c2cccc(C(F)(F)F)c2)CC1	727369573	SQMNOXAOHQYWBI-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)co2)cc1	749886257	JGKLGHMAPUZBAH-WQRHYEAKSA-N	357.413	4.813	50	20	FJGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1	755283274	RTOLGOZQXZCAEL-LLVKDONJSA-N	365.260	4.582	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	756784181	REFIVZDXGFJASX-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)c1ccc(F)c(Cl)c1	761478412	GFIDBPIFRXSFRQ-YHYXMXQVSA-N	355.583	4.971	50	20	FJGD	
C/C(=C/C(=O)NNc1c(F)cccc1Cl)c1ccccc1OC(F)F	770196686	DAEONFVLPLMTPP-KTKRTIGZSA-N	370.758	4.627	50	20	FJGD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	770879085	AQUYBFKTSMQILV-QBIMZIAESA-N	371.543	4.732	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(-c3c(F)cccc3F)o2)ncn1	773176825	PHLJPCLEOBJDBP-YRNVUSSQSA-N	355.369	4.801	50	20	FJGD	
CC(C)(C#N)CNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	781808088	NFMKZAATYHMBOM-NSHDSACASA-N	365.808	4.577	50	20	FJGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)cn2c1	789127453	KKWYICPSLSWEQF-GHXNOFRVSA-N	356.212	4.739	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	794870289	SJVVEPLCYKNKDD-GHRIWEEISA-N	366.424	4.760	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCN[C@H]1c2ccccc2CC12CCOCC2	810079139	IVJUDASBXRRDRI-IBGZPJMESA-N	361.602	4.692	50	20	FJGD	
CC(C)(CO)[C@H](NCc1ccc(OCCCCl)cc1)c1ccccc1	811496492	ABYUBRBGCYPHSX-HXUWFJFHSA-N	361.913	4.544	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1NCc1cccnc1	812768231	LBXHCYUGLOAEFZ-UHFFFAOYSA-N	374.488	4.882	50	20	FJGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1	838343803	ZRVDEQIXXCFCJG-DTWKUNHWSA-N	355.187	4.805	50	20	FJGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1ccc(OCCC(C)C)cc1	916285355	GYWIUIFGEAKLCP-UHFFFAOYSA-N	368.477	4.556	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	917515801	ASWVQQURKYHLDL-QPEQYQDCSA-N	361.228	4.938	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(Cl)cccc2Cl)n1	920386841	FSYCWFCOGGARAC-RMKNXTFCSA-N	353.230	4.691	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c1C	1115863412	ZCMSQLCSRFKPPR-HKWRFOASSA-N	359.473	4.681	50	20	FJGD	
COc1ccc(-c2cc(NC(=O)NNc3ccccc3)ccc2OC)cc1	1324765232	WCYXEPUYZDCCAX-UHFFFAOYSA-N	363.417	4.519	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1OC(F)F	7157041	QNORZJQEPYJPSF-RVDMUPIBSA-N	372.371	4.541	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)s1	7212171	KQOXMNUMQWDZRH-NTUHNPAUSA-N	352.381	4.827	50	20	FJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C#N)c2ccccn2)cs1	54895486	VTGDCPPAIFBFOX-WJDWOHSUSA-N	360.442	4.595	50	20	FJGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(C#N)cc2)cs1	63279027	VBRKHWIRTROMOE-SXGWCWSVSA-N	358.382	4.654	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1	102598510	YKOFKBFASQAZJN-VBKFSLOCSA-N	365.820	4.568	50	20	FJGD	
CC[C@H](C)C(C)=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	254743106	MYRPUVCZTZMPMK-INIZCTEOSA-N	360.461	4.691	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1nccc2sccc12	734248314	PUOWRERSVVQNBW-JTQLQIEISA-N	363.895	4.574	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1	734271665	DGYRIBBYMFFMKE-FQEVSTJZSA-N	367.399	4.575	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1	741468200	DEDGKQZYFRJASO-SQFNAUOLSA-N	370.456	4.847	50	20	FJGD	
C[C@@H]1CN(C)c2ccccc2N(C(=O)CCCC[C@H]2CCSS2)C1	742093122	YZRVEQBICOPSQS-CVEARBPZSA-N	364.580	4.820	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C)c(OC)c1	748673147	YZAIPGIABPLDAO-UHFFFAOYSA-N	354.475	4.954	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1	755403927	JNMTWSRQTLBBFL-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1)c1ccccc1	755405414	ZIOSCDQRDJWKFR-CDCQXCROSA-N	362.326	4.629	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)CCC#N	765992801	GNNMYPFWOHVGTB-OAHLLOKOSA-N	374.419	4.696	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(-c2nccs2)c1	767036453	UVXPHJXMVWAHRO-LBPRGKRZSA-N	353.285	4.558	50	20	FJGD	
C[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)c2c(O)cccc21	768663541	HWINEFYSYZLMSQ-KGLIPLIRSA-N	351.537	4.947	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cscc2Cl)n1	771837349	HUYDIWLHBTUAAA-WTKPLQERSA-N	351.884	4.701	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(-c2ccc[nH]2)cc1	775711166	CUKMIAHIJSAHTN-UHFFFAOYSA-N	362.220	4.532	50	20	FJGD	
Cc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1OC(F)F	777872549	WMAYQMDAVGEFGU-XNTDXEJSSA-N	353.328	4.711	50	20	FJGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)C1CCCC1	779771639	BVQDIHKSIOUTAE-UHFFFAOYSA-N	369.328	4.590	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccccc1F	787456761	AKSSKMLUWCNEGN-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)C2CC2)s1	790389340	KVBYKNFTFUMVKA-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2ccccc2)c(OC2CCCC2)c1	790807420	YSMYOXBCZMKANB-UHFFFAOYSA-N	354.450	4.554	50	20	FJGD	
CC1(C)CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC[C@@H]1O	792879763	JHQYVFWXFUBQHD-IBGZPJMESA-N	363.618	4.801	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2cc(Cl)ccn12)C(=O)c1ccc(F)cc1	794695997	BXTJWMZJGCLYEF-YRNVUSSQSA-N	360.175	4.570	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)c1ccc(Br)s1	799758116	XTPHOVRVGQHFLU-LLVKDONJSA-N	367.312	4.628	50	20	FJGD	
CCc1occc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016091	GJNLPEMKLFVIOX-UHFFFAOYSA-N	366.261	4.637	50	20	FJGD	
O=C(NCCC1=CCNCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178899	IOEQHWDRFNGAMS-UHFFFAOYSA-N	371.375	4.775	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2cccs2)c1C	914743037	UAJVEAFNNQGAJQ-CCNLRRDASA-N	369.534	4.621	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12	921258773	BIKZWXXSKVKVOC-ZROIWOOFSA-N	370.330	4.899	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(SC(F)(F)F)cc1	1339381612	FVTZFQVUKAEMFM-XFXZXTDPSA-N	364.348	4.550	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnc(Cl)c(Cl)c1	124239728	DGWVLMCVAJLTGP-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(COc2ccc(C)cc2)n1	171019350	IBCCGSQQNPGHOX-MHWRWJLKSA-N	354.475	4.943	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1noc2ccccc12	175630910	JXGCRCIBHZBOIK-UHFFFAOYSA-N	365.458	4.707	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1C	194521320	YVWUSIGZHPQLTD-NTEUORMPSA-N	360.335	4.568	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1)c1ccccc1	214386671	IQHMXYYDTLJXIR-IWTIEGKHSA-N	362.326	4.629	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	727100471	RLSNIGIJVZUEEC-UHFFFAOYSA-N	356.775	4.780	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3cccc(Cl)c3)c(F)c2)cc1	730208324	IJFOIEUVBVKBGW-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1	734263781	PMIIPHSTJHPMOC-LJQANCHMSA-N	351.837	4.756	50	20	FJGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1cccc2cccnc12	747355994	JFDDQOLXHLNVHG-UHFFFAOYSA-N	365.845	4.867	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Oc2ccccc2)cc1	748650642	QEPUWGLHAVAWRD-UHFFFAOYSA-N	370.355	4.837	50	20	FJGD	
C#C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCCO1	752982021	WAJCXKQORJENQI-STQMWFEESA-N	370.343	4.646	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)cc1Cl	753315629	JRCYTTUPLGVYPS-OALUTQOASA-N	361.832	4.612	50	20	FJGD	
O=C(NN=C/C=C\c1ccc(F)cc1F)c1c(Cl)cccc1Cl	758108569	OOORULNAPQQECD-UJMGHZEASA-N	355.171	4.701	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccccc2CCC(F)(F)F)c(C)c1	759658958	WUFCSVPMUBPPSX-UHFFFAOYSA-N	350.384	4.864	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1)c1ccccc1	761384164	FQFCOPNAHVEVCW-SCOADAFUSA-N	365.433	4.610	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(F)(F)F)s2)c(C)c1	761392751	PAYOXNBBTLACBR-WQLSENKSSA-N	350.365	4.929	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1	767405837	VGSGUQIUSSKXGI-YUMQZZPRSA-N	373.177	4.944	50	20	FJGD	
O=C(NOC1CCCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	775293142	CWKQDQJFXHUQCW-GFCCVEGCSA-N	368.808	4.902	50	20	FJGD	
CC[C@H]1C[C@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	781549256	CLKKJWJJQCLVFV-KOLCDFICSA-N	365.688	4.685	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N(C)C(C)C)nc2)c1C	790098640	DCGSRSNCWXNUIB-UNOMPAQXSA-N	364.493	4.544	50	20	FJGD	
Cc1cccnc1NNC(=O)c1sc2cccc(Cl)c2c1Cl	791216265	NNGSIMUCKUYZSX-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
O=C(NN=C/C=C/c1ccc(F)c(F)c1)c1c(Cl)cccc1Cl	794905653	XTALVWXURXZRHG-SBPMFGKCSA-N	355.171	4.701	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	794932614	XFKCPEBNPXJZOF-CXUHLZMHSA-N	358.397	4.581	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)c1nc2cc(F)ccc2s1	794943081	VZCMBSUNNKSYCI-AWNIVKPZSA-N	352.390	4.815	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cccc(Nc2ccccc2)c1	857513789	KETBVUONHGCAMU-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	874834072	OVEWXPNRBKMISB-KGLIPLIRSA-N	370.387	4.653	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccccc2OC2CCCC2)n1	920388537	ZBNSZHUSHQOTJF-RVDMUPIBSA-N	368.458	4.705	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(Cc2ccco2)c1C	7157922	IEXJCXFRVKUXGY-UDWIEESQSA-N	373.456	4.909	50	20	FJGD	
COc1ccccc1/C=C(/C(=O)NNc1ccc(F)cc1)c1ccccc1	78745586	KQWSUZAZAROYPX-HMMYKYKNSA-N	362.404	4.518	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccccc2C(F)(F)F)c1C1CC1	89660227	WUDFRRUHQSHAOW-NSHDSACASA-N	366.387	4.507	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccccc1SCc1cccs1	155024702	DVQYSIAIUNBQIH-UHFFFAOYSA-N	358.463	4.936	50	20	FJGD	
O=C(CC[C@@H]1CCOC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	176628435	FTSSZKYJOWJBOZ-YGRLFVJLSA-N	367.820	4.661	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cl)cc1F	179608001	XINPXVNZXGMGKD-LZYBPNLTSA-N	365.795	4.514	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2cccc3cnccc23)C1	179771710	RKEFSGLIXKIOBM-IEBWSBKVSA-N	369.509	4.834	50	20	FJGD	
O=C(NCCN1CCCCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	184407228	WMLUQSCHDQGYAV-UHFFFAOYSA-N	373.391	4.951	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	187765489	SQBAIRRKPCWMQC-WOJGMQOQSA-N	357.438	4.568	50	20	FJGD	
CCN1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	274138233	ZGCBOINNPLADPG-UHFFFAOYSA-N	373.391	4.950	50	20	FJGD	
CN(CC(C)(C)CO)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	296902223	RZSWRORBJPZLSJ-UHFFFAOYSA-N	362.364	4.826	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(C(C)=O)cc2C)c1C	728242951	ASIPUMVRPMOPCX-UDWIEESQSA-N	364.445	4.539	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1csc(-c2ccc(Cl)s2)n1	749273723	UYBIYKCTMKTMLH-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
CC1(C)CCC(=NNC(=O)c2ccc(NN=C3CCC(C)(C)C3)cc2)C1	783789189	ODLFXYDRJYMXCE-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
N#C/C(=C\c1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc2ccccc2s1	788326472	DOTTYJMCYLYYOO-GZTJUZNOSA-N	372.449	4.583	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1Cl	789126347	DBIVNKQAMGGYRC-OQLLNIDSSA-N	367.861	4.745	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)C(=O)c1c[nH]c2cc(F)ccc12	794700605	QTVOAMCPOARMIN-IQTQREKJSA-N	352.315	4.931	50	20	FJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)c1ccoc1	806556965	ILNCRLXUVYWCIZ-RQZCQDPDSA-N	365.820	4.585	50	20	FJGD	
Cc1cc(NC(=O)NNc2ccc(F)cc2)ccc1NC(=O)OC(C)(C)C	825979566	DECNLIOCPQBALK-UHFFFAOYSA-N	374.416	4.630	50	20	FJGD	
CC[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	850660369	HCQPWEXDOJFPBG-GFCCVEGCSA-N	372.359	4.587	50	20	FJGD	
C[C@]1(CNC(=O)Nc2cc(C(F)F)ccc2Cl)C[C@@H]1Br	856848787	KTKBYFRHYFHFJK-GXFFZTMASA-N	367.621	4.573	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1	915295141	JQMGPEMLFXGWKS-GFCCVEGCSA-N	353.249	4.521	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1	919979518	WHWXTDISGXEOIP-UHFFFAOYSA-N	357.816	4.644	50	20	FJGD	
COCC1(NCc2cccc(S(F)(F)(F)(F)F)c2)CCOCC1	922144895	JJFVOONOYCGWRI-UHFFFAOYSA-N	361.376	4.629	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccc(Cl)cc3F)cc2)cn1	1116875180	BLJSEISWTMGXAX-NVNXTCNLSA-N	365.795	4.669	50	20	FJGD	
Fc1ccccc1OCc1nnc(CCCC[C@@H]2CCSS2)o1	1118129555	UDEQRWYBLQLCOA-GFCCVEGCSA-N	354.472	4.654	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)ccc1OC	7212336	UUXMFUUIEUUVKJ-GZTJUZNOSA-N	361.401	4.517	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	128874968	PPWILHIDHQSDFK-RKDXNWHRSA-N	372.284	4.656	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(-c2ccccc2)n1	179607813	VIECJHLPVZWMAP-NTEUORMPSA-N	365.795	4.669	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(C#N)cc2)c(Sc2ccccc2)c1	183708677	CMGOLIVSQPJVCI-UHFFFAOYSA-N	359.454	4.775	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1Nc1ccccc1	588516297	MYINLJMLVICBPD-VKAVYKQESA-N	355.397	4.681	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2cccnc2)c(C)n1CCC(C)C	733415325	RMVZVPYRAWYEKP-AGKWGAAGSA-N	365.477	4.757	50	20	FJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)c1ccncc1	735441377	ZDTOWUXRRZFACG-ZHZULCJRSA-N	364.493	4.506	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccc(Oc2ccccc2)c1	740135744	ASYSLACCLMIAKQ-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(Oc2ccc(F)c(F)c2)cc1	748059086	HFIKKGCSGKCEDR-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)n1	760212111	UMIZWJMOEQFLPA-GHXNOFRVSA-N	372.519	4.710	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cnc1Cl	760212258	VZMLAYZYFIRWQT-XGICHPGQSA-N	356.212	4.968	50	20	FJGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	765992709	FXHQUBHXZCWSFM-HNNXBMFYSA-N	372.472	4.839	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(Cl)nc2)c1	772916087	DAXCZSLKHCGQRK-UHFFFAOYSA-N	367.836	4.558	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C#N	773143218	BFIVTKNTOVONKM-VGOFMYFVSA-N	374.293	4.515	50	20	FJGD	
C[C@@H]1C[C@@H](Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCN1C	777621141	GOKHGFYRPHYCJU-UHIISALHSA-N	352.853	4.801	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc3ccccc3c2)cc1	787154391	JIQNVDGIKZTYHB-ZFMLPXDISA-N	356.425	4.633	50	20	FJGD	
Cc1c(Cl)cccc1C(=O)NNc1ccc(Br)cc1Cl	787463813	GBRSOTHMEUXMJZ-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(Cl)nc2ccccc12	791726652	FDHLHEZBAFQMTO-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CCO/C=C(/C#N)C(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1	792552940	RJDPQPMJFSPMJM-AKMXKPQHSA-N	366.383	4.593	50	20	FJGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1	794870346	UQDJUIJHGSHUQD-SAPNQHFASA-N	372.428	4.802	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)CC)ccc1OCC(F)(F)F	794878606	ODNXFKTUKIQGRL-NTEUORMPSA-N	369.383	4.939	50	20	FJGD	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)C2CCOCC2)cc1OC	794957558	FRMFMDVPPVGBMD-XMHGGMMESA-N	371.477	4.557	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cn(C(C)C)nc2C)cc1	798344378	DREKLJLSGQJAFW-GZQZNAIASA-N	350.466	4.832	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1[nH]ccc1-c1c(Cl)cccc1Cl	799706074	VHYALUWLGHIXDQ-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	812239768	DLVFSXVEYZYRQJ-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@@H]1C(C)(C)C#N	814754412	SELCAHDZVPXDAH-HNNXBMFYSA-N	366.490	4.554	50	20	FJGD	
Cc1sccc1/C=C(/C#N)c1nc(O)c2c3c(sc2n1)CCCC3	834405284	RGLDBRVBWKFPPT-WQLSENKSSA-N	353.472	4.710	50	20	FJGD	
C[C@]1(CNC(=O)N(c2ccccc2)c2ccccc2)C[C@@H]1Br	856754736	MQYHQDMCIJLLIS-FUHWJXTLSA-N	359.267	4.708	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)c1ccc2c(c1)OCO2	1318981917	RWAXELHHFVXLRJ-MHWRWJLKSA-N	359.406	4.934	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2c(F)cc(F)cc2C1	122570348	VBFIBOAIGYEERR-CQSZACIVSA-N	357.491	4.564	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)c1	125402884	WMNBBPHDCGMNBW-UYRXBGFRSA-N	353.425	4.962	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)c1	158621406	ZKSZYAMVZMAQOV-UHFFFAOYSA-N	373.884	4.698	50	20	FJGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2nc3ccccc3cc2C)s1	181295843	HUDZFCLRCURKNL-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
CCCCC(C)=NNC(=O)c1ccc(COc2ccc(OCC)cc2)cc1	254403436	LWDSFMLKOBKLTE-UHFFFAOYSA-N	368.477	4.960	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnn(C(C)C)c3)n2)cc1	255011861	VMTLFWHFLDBGME-PXNMLYILSA-N	350.447	4.660	50	20	FJGD	
C#Cc1ccc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)nc1	728805926	KTOZMGRUVXKXOJ-OAHLLOKOSA-N	370.783	4.535	50	20	FJGD	
CC(C)c1ccc(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1	730568348	JAXDXIFOBSHWLP-UHFFFAOYSA-N	363.486	4.626	50	20	FJGD	
C=C(Cl)CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	736955344	GCIKEBNSVFHFLB-SNVBAGLBSA-N	359.200	4.780	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1cccc2cnccc12)c1cccc(Cl)c1	748759187	KNLRLLMHBXOPTD-IBGZPJMESA-N	353.853	4.771	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1ccc(F)c(F)c1F	752143673	JKJUPMNCBIUHAK-UHFFFAOYSA-N	370.783	4.658	50	20	FJGD	
O=C(Cc1coc2cc(F)ccc12)NNc1cc(Cl)ccc1Cl	752811647	QQXIJWOCJPSVGN-UHFFFAOYSA-N	353.180	4.565	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C/c1nc(-c2cc(Cl)ccc2Cl)cs1	753897053	MLWIQNCTMNDYED-BJMVGYQFSA-N	367.257	4.975	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)c1ccncn1	758912195	LRCKNYBUAHIHQT-UKTHLTGXSA-N	352.191	4.563	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C#N)CC(C)C)c(C)n1C1CCCCC1	768139666	GIVNYAVHBJNTEO-RQRMZWKBSA-N	366.509	4.572	50	20	FJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)c1ccc(Cl)cc1F	773163555	NMYOFDALBMWRCY-YHYXMXQVSA-N	360.175	4.570	50	20	FJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)c1nc(C(C)C)cs1	797399676	YYKWNPJVDBQBBX-GXDHUFHOSA-N	350.447	4.525	50	20	FJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCOC1	806422081	LCMUNVLTXTVYGB-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cnc2c(F)ccc(F)c2c1	815854334	YGGMYOCKQMMGOH-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@@H]1N	841190455	PBNPOWMNWKDCAS-SKDRFNHKSA-N	359.364	4.545	50	20	FJGD	
CCC1CCC(=NNC(=O)c2sc(-c3ccc(OC)cc3)cc2N)CC1	18881674	NOJDNUMWLOQZDH-UHFFFAOYSA-N	371.506	4.692	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(N2CCCCC2)nc1	25442640	OBHOFTFKRHYSNY-MRXNPFEDSA-N	365.568	4.725	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	132482901	SYXAVLIDBKTNPS-ZROIWOOFSA-N	361.228	4.685	50	20	FJGD	
CN(c1cccnc1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181320143	WRBFSTSKVMYYBN-UHFFFAOYSA-N	374.356	4.564	50	20	FJGD	
CC(C)c1nnc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cn12	189087199	HFWQENGCDUWFKY-CQSZACIVSA-N	364.540	4.505	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cn1	191276926	ZAVYERPYHNMVEI-LICLKQGHSA-N	361.474	4.509	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1OC	255127734	ZLDPJINTFPXCTE-LCYFTJDESA-N	355.344	4.513	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cn(-c4ccccc4)nn3)n2)cc1	728701000	ZWLTXFMARSYHCF-GZTJUZNOSA-N	369.453	4.763	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Oc2cccnc2)cc1	728717041	MRHXCXGYMOMIQD-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	729151659	ZLVJVJCNAUHLMU-BOPFTXTBSA-N	356.425	4.980	50	20	FJGD	
Cc1cc(NNC(=O)CCc2ccc(Cl)s2)ccc1Br	734251237	IFVQGIOUBFBAPT-UHFFFAOYSA-N	373.703	4.548	50	20	FJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccc(F)cc1	734366515	VPPQYTFHPYXROU-BENRWUELSA-N	368.314	4.910	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1	741468320	FCALNUDXTJJXPS-WDGDVPDHSA-N	361.367	4.803	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c[nH]nc3-c3ccccc3F)c[nH]c2c1	755698445	FMDYXLJLQFEDPD-NTEUORMPSA-N	370.387	4.795	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2cc(Cl)cs2)n1	779798652	MKPNLIHQMVCOJG-WTKPLQERSA-N	351.884	4.701	50	20	FJGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)c1ccc(Cl)cc1Cl	781584931	DBWPVVWTLLTACC-UHFFFAOYSA-N	351.208	4.796	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1C#N	799497638	XLMKEZQPRHTPFG-NSIKDUERSA-N	374.293	4.515	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nn(-c2ccccc2)c2c1CCC2	812767493	YBVYKCRBNVBKIP-UHFFFAOYSA-N	374.488	4.550	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)n2)c(C)n1[C@H](C)c1ccccc1	817006114	WHPNBWRKXMPVCR-CQSZACIVSA-N	368.868	4.520	50	20	FJGD	
O=C(Cc1cccc2cccnc12)NN(c1ccccc1)c1ccccc1	817024774	YSTIJMMWCYISAJ-UHFFFAOYSA-N	353.425	4.647	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncco3)cc2C)cc1	820261961	RZTBZBLYSPKOOG-QGOAFFKASA-N	373.412	4.594	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1csc(C2CCCCC2)n1	839682542	FRMMXQPLIHENMN-UHFFFAOYSA-N	358.492	4.557	50	20	FJGD	
C=CCOc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	913898207	XBLVRMNIZOKNOC-UHFFFAOYSA-N	371.651	4.969	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1)C(=O)c1c[nH]c2cc(F)ccc12	915990104	IVMOGPZRZBPMAL-KPKJPENVSA-N	369.193	4.859	50	20	FJGD	
Cc1nc([C@H](C)NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)no1	1321919902	CJTMNIAUVVAZLO-AWEZNQCLSA-N	361.562	4.751	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1322455274	IKIYOLSGSSSGHB-WOJGMQOQSA-N	366.424	4.667	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(NC(C)=O)cc2)cc1	7167503	VBHWGELWVXBTLS-DQPIFXJKSA-N	361.445	4.704	50	20	FJGD	
C[C@@H]1CCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181706896	WKGRFLKANCRBLD-SECBINFHSA-N	351.362	4.517	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](Oc2cccc(F)c2)C1	185200791	NQDMNGFYSGNZOZ-DLBZAZTESA-N	369.527	4.520	50	20	FJGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(Cl)cc1	321283626	ITZUHZWQELHXKW-KRWDZBQOSA-N	372.317	4.551	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(Oc3cccnc3)c(C)c2)c1	732713896	ICNVVFBSOHDVAJ-XDHOZWIPSA-N	370.408	4.981	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1)C1CCCCC1	732716234	LPJFPIYMCIPXAZ-FOWTUZBSSA-N	351.475	4.508	50	20	FJGD	
CC[C@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1	732917881	QUVNFLBGPFBEKY-KRWDZBQOSA-N	354.450	4.940	50	20	FJGD	
C[C@H](CC(=O)NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1	738542182	FTGKZQGCBADZAI-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1F	739426511	MUEDYZUFXLAORA-ATVHPVEESA-N	351.425	4.526	50	20	FJGD	
CC[C@H](C)C[C@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743672855	FYMJVSAFCPVBRJ-HOTGVXAUSA-N	368.481	4.514	50	20	FJGD	
O=C(NN=Cc1c(Cl)cccc1Oc1ccccc1)c1ccc(O)cc1	769566032	BYPRRWSRNOAJHZ-UHFFFAOYSA-N	366.804	4.602	50	20	FJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)c1ccc(F)c(C(F)(F)F)c1	773161427	SAPVOOIJBHJBFX-IZZDOVSWSA-N	354.690	4.683	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	786039746	GZVFEBXTQYUHIA-GDNBJRDFSA-N	351.880	4.758	50	20	FJGD	
Cc1cccc(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1	789947270	AXLVNATYFTYTCH-UHFFFAOYSA-N	362.395	4.969	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]2C[C@H]21	796032402	JWAPGWNITXZLAF-BXKDBHETSA-N	363.373	4.517	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	798344846	NEYHXFRBJDCAEX-AWNIVKPZSA-N	365.330	4.720	50	20	FJGD	
Cc1ccc(Cl)c2sc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)nc12	804922971	MCHGNFJXHSJXOB-WQLSENKSSA-N	369.833	4.509	50	20	FJGD	
Cc1cccc(C2(C(=O)NNc3ccc(OC(F)F)cc3)CCCCC2)c1	857474286	ZHIJRZQFNWHJCY-UHFFFAOYSA-N	374.431	4.942	50	20	FJGD	
CN(N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)OC(C)(C)C	920378406	VLGZIUGKNWIBJY-UHFFFAOYSA-N	361.423	4.524	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1OC(F)F	11297594	HJBCUACGSXVSFM-NTUHNPAUSA-N	363.747	4.740	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1C	23217399	RODOEBHHTRMWEV-CPNJWEJPSA-N	370.456	4.652	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccccc2SCc2c(C)noc2C)c1	78240031	XXJARTQKERJWFZ-UHFFFAOYSA-N	367.474	4.649	50	20	FJGD	
CCN(c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1)C(C)C	109761340	XXSMRNHTNOLZQG-UHFFFAOYSA-N	365.399	4.697	50	20	FJGD	
CCc1nc(NC(=O)NN(Cc2ccccc2)c2ccccc2)sc1C	743223642	QEWOULITOAMDLO-UHFFFAOYSA-N	366.490	4.757	50	20	FJGD	
Cc1cc(C=NNC(=O)c2cccc3ccccc23)c(OC(F)F)cc1C	743441323	GNJCMALYEIQAQK-UHFFFAOYSA-N	368.383	4.822	50	20	FJGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@H](C)C1	747744445	NPVPMEJXILZTKZ-IYBDPMFKSA-N	372.472	4.839	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C(C)(C)C)on1	748670287	RCZOEZJLSVTTTR-UHFFFAOYSA-N	357.479	4.922	50	20	FJGD	
N#Cc1ccc(NNC(=O)C2(c3cccs3)CCCCC2)cc1Cl	753314030	WFZUGISHFUHEMP-UHFFFAOYSA-N	359.882	4.618	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)c1ccc(Cl)cc1F	761482004	ZVFBUNDKLKPRFY-WEVVVXLNSA-N	355.583	4.971	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3c(F)cccc3Cl)c2)c1	770202534	RDJPRMSWBSWGEO-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
CCC1(CC)NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771859900	KJRTXBICPYKUEI-UHFFFAOYSA-N	358.332	4.959	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)c1ccc(Cl)cc1F	773162444	MANYARPOWOKEHE-JYRVWZFOSA-N	352.752	4.924	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	811685956	INOLWURJLJJWNI-NYYWCZLTSA-N	360.175	4.550	50	20	FJGD	
Cc1cccc(NNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c1	812458467	IGJNRGGICVEDAL-GFCCVEGCSA-N	365.246	4.534	50	20	FJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@@H](CO)c1ccc(Cl)cc1	836797600	VEWWJTZWPNWQBR-HOTGVXAUSA-N	373.971	4.546	50	20	FJGD	
Cc1cc(C(=O)NNc2nc3ccc(Cl)cc3s2)c(C)n1C(C)C	856234002	JJQZHJORAKMHKB-UHFFFAOYSA-N	362.886	4.706	50	20	FJGD	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5ccccc5)(C4)C2)C3)cc1	868147822	WATRLPSZJAMJRZ-UOYQGRGCSA-N	360.501	4.976	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1ccc(F)cc1F	876971900	NMXZGVWNASIUFM-UHFFFAOYSA-N	352.340	4.550	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@H](C)C2CC2)c1C	914841418	PFJZSMZAZJMOSP-VJOZSWGJSA-N	353.510	4.602	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)cc2)cc1	6209583	XALGVGGQSBMQBR-CAPFRKAQSA-N	359.473	4.785	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)C(C#N)=C1Nc2ccccc2N1	104827270	NZQTZFKZEJTQOP-NSHDSACASA-N	355.850	4.662	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	125185247	MYBQWVUTMFUAQB-ODLFYWEKSA-N	370.456	4.856	50	20	FJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1sccc1-c1ccccc1	128145923	QNLYLTDGRUQTQK-UHFFFAOYSA-N	372.453	4.629	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccccc1Cl	162381183	FWGKKPZPMPGRHH-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
C[C@@H](O)[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184422861	MTVHZNRUSCIBIO-NXEZZACHSA-N	360.348	4.579	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CCc3ccccc32)c1C	206097257	RPICCFICMBHSRR-VOSMRYOYSA-N	361.489	4.568	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(Br)cs1	209995481	HMFNHKBVZKUKOC-SDQBBNPISA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1nc2cc(F)ccc2s1	730148675	JMACNPHWBBLBEN-NVNXTCNLSA-N	358.401	4.957	50	20	FJGD	
N#C/C(=C\c1ccccc1-c1ccccc1)C(=O)N(CC(F)(F)F)C1CC1	732714851	GKBNJWAXBAIVKZ-SFQUDFHCSA-N	370.374	4.814	50	20	FJGD	
N#C/C(C(=O)CSc1ccc(F)cc1F)=C1\Nc2ccccc2S1	746199526	DSQUTUZLIPTIFI-BOPFTXTBSA-N	360.410	4.579	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1sc2cc(F)ccc2c1Cl	746700475	XVNRLZXLFKECOT-UHFFFAOYSA-N	374.746	4.868	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1	749200529	JLNUKBXRQXKMKO-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2c1	763276405	IPHPFEMIYKDDLX-RAXLEYEMSA-N	352.777	4.640	50	20	FJGD	
Cn1c(C(=O)NNc2c(Cl)cccc2Cl)c(Cl)c2ccccc21	763625376	XFIYDWLCEJSKAV-UHFFFAOYSA-N	368.651	4.895	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	764892307	VPBFNJNVIDLFOQ-SFQUDFHCSA-N	358.353	4.953	50	20	FJGD	
CC(C)C1(O)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	765346773	USHDPZIVILTXRL-UHFFFAOYSA-N	360.348	4.579	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cccc(F)c2)cc1)C(=O)Nc1nccs1	766288085	AVEHKORNCRBGIU-GXDHUFHOSA-N	365.389	4.620	50	20	FJGD	
CC(C)(C)Oc1cccc(CNC(=O)CCCC[C@H]2CCSS2)n1	767380399	QXGRNPQQJLIYFT-HNNXBMFYSA-N	368.568	4.589	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccco2)s1	768235095	CFTGQFCGLHDGPP-UHFFFAOYSA-N	368.336	4.664	50	20	FJGD	
CC(C)(C(=O)NNc1nccc2sccc12)c1ccc2ccccc2c1	769098365	WOLOLCKEIFUQKZ-UHFFFAOYSA-N	361.470	4.870	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(Br)c1)C(=O)Nc1ccccc1	775630106	JSLPEEYAIXLNKL-XYOKQWHBSA-N	361.626	4.648	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(SC)ccc2C)cc1	775972783	PIRHWLTVLQLBSJ-WJDWOHSUSA-N	352.459	4.661	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cc2c(ccc3ccccc32)[nH]1	777463597	ZTMCXEUULZQRGY-UHFFFAOYSA-N	352.397	4.626	50	20	FJGD	
CSCc1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)cc1	779425777	WENALZJVCHOJBM-UHFFFAOYSA-N	371.384	4.597	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(F)cc2)cc1)c1ccccc1	788493079	VWLRBDUHCZOQKG-OAHLLOKOSA-N	350.393	4.723	50	20	FJGD	
CSSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	790878985	NGTHBRFLENXZJD-AWEZNQCLSA-N	372.968	4.801	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)[C@@H]3CCCOC3)ccc21	794885260	WAKCIJDHWUREMR-ZCWPUFOUSA-N	358.441	4.717	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)cc2Cl)c1C	798178621	OJZBHAONESWQNT-MHWRWJLKSA-N	354.837	4.743	50	20	FJGD	
CCCCCC[C@@](C)(CCC)C(=O)NNc1ccc2c(=O)[nH]ccc2c1	803437118	IPBVDUNTQZAYBU-OAQYLSRUSA-N	357.498	4.748	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC[C@H]2C(C)(C)C#N)cc1	814735570	DNIHCMOTRYEAET-GOSISDBHSA-N	355.482	4.547	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3cccc(Cl)n3)cs2)cc1	817006764	XZELMYJRWKKFIX-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
CNC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C	821498561	KHYYZAGVIUWEQK-UHFFFAOYSA-N	373.367	4.722	50	20	FJGD	
CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	874834074	OVEWXPNRBKMISB-UONOGXRCSA-N	370.387	4.653	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)Cc2ccc(Cl)s2)cc1	902865137	HOURRBWGWZKFDP-PTNGSMBKSA-N	374.893	4.756	50	20	FJGD	
Cc1nc([C@@H](C)NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	1117338140	KOZVRFPUNCXGBA-SSDOTTSWSA-N	372.319	4.918	50	20	FJGD	
N#C/C(=C\c1c(F)ccc2sc(C(=O)O)cc12)c1ccc([N+](=O)[O-])cc1	1776131407	QAXAXQUCGYVUBX-YRNVUSSQSA-N	368.345	4.711	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)c1ccccc1	7743148	XUXYHODSCTXPPH-MDWZMJQESA-N	365.282	4.679	50	20	FJGD	
O=C1/C(=C\c2cnn(CCCl)c2)CCc2cc(SC(F)F)ccc21	171541889	YEYUUSUFNGAOEY-QPEQYQDCSA-N	368.836	4.649	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1)c1ccccc1	209744766	YOHXNKVXSMTNMZ-QQFZQELXSA-N	365.483	4.656	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccccc2F)cc(Cl)c1OC	212681063	XSKYOGACYFXDHR-JYRVWZFOSA-N	359.784	4.676	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)C1(c2ccc(Cl)cc2)CCCC1	734552578	XPUFLNRDYAAMNC-UHFFFAOYSA-N	368.786	4.712	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCC(F)(F)F)c(C)n1CCC(C)C	743778556	KFYMCSOFKABCER-BOPFTXTBSA-N	369.431	4.517	50	20	FJGD	
CS[C@@H]1CC[C@@H](NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	745894557	QXYNGPMAXYBGFX-RKDXNWHRSA-N	368.717	4.557	50	20	FJGD	
Cc1csc([C@@H](NC(=O)NNc2cc(Cl)ccc2Cl)C2CC2)n1	753006621	YLTQBGQKEOWRGC-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1cc(Cl)ccc1Cl	770083872	YZMXYSZWLSPHQT-UHFFFAOYSA-N	368.220	4.584	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H](c1ccccc1)N(C)C	771506341	FXBBFEOAARQTGE-IEZWGBDMSA-N	366.596	4.508	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)cc1)C(=O)c1cc(F)cc(F)c1	772179384	OIBINHCVQWPHLV-ACAGNQJTSA-N	367.273	4.696	50	20	FJGD	
Cc1cncc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	777669059	DUVDSIIRZCWAFN-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccccc1OC(F)(F)F	779218317	XYHQXNBUKAHGBF-ZHACJKMWSA-N	370.758	4.785	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1cccc(C(F)(F)F)c1	780373543	GYBJGYOLICQTCR-CXUHLZMHSA-N	367.330	4.681	50	20	FJGD	
COc1ccc(CC(C)(C)NC(=O)CCCC[C@H]2CCSS2)cc1	783750529	SPWJVSDKFKZCNF-KRWDZBQOSA-N	367.580	4.847	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc2cc(OC)ccc2o1)c1ccccc1	787145780	TXLCSBBHHKVGBN-NXNYUAIASA-N	360.413	4.616	50	20	FJGD	
CO[C@@H]1CCOc2c(NC(=O)CCCC[C@H]3CCSS3)cccc21	790600924	OXRCZBXSSVYOGO-XJKSGUPXSA-N	367.536	4.809	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)s1	802828994	KHHAOQOZUVCDBP-UHFFFAOYSA-N	354.275	4.543	50	20	FJGD	
C/C(N)=C(/C#N)c1nc(-c2cc(C)n(-c3ccc(C)c(F)c3)c2C)cs1	806553411	OLRKGCBNOXHBFR-GHRIWEEISA-N	366.465	4.878	50	20	FJGD	
CC[C@@H](C)NC(=O)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811501574	OJDXBLIDAXVJRL-MRXNPFEDSA-N	374.912	4.835	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1C(F)(F)F	812018422	SPPUCMAECYJNEQ-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)oc2ccc(F)cc12	812019859	SNKWRCCCULLZEF-UHFFFAOYSA-N	369.783	4.839	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	812239718	BWLWTSFGERHVPU-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(CN2CCCCC2)cc1	812770005	XYNNGHFVBFDTLS-UHFFFAOYSA-N	365.521	4.861	50	20	FJGD	
NCC[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190467	PFHXHJSXDBGYOR-LLVKDONJSA-N	373.391	4.937	50	20	FJGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(OC)cc1	849187462	SAYJEPVFTDJZSY-IRXDYDNUSA-N	353.553	4.977	50	20	FJGD	
CC[C@@H](C)CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	850591059	JCPXLXNHQFKHIY-SNVBAGLBSA-N	374.375	4.835	50	20	FJGD	
O=C(/C=C\c1ccccc1F)NNc1c(Cl)cc(Cl)cc1Cl	911603350	XIEXEOOQYHGKBL-WAYWQWQTSA-N	359.615	4.942	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(C(=O)O)c2)cc1	1776271616	IJXBZGYTVHXLTA-XNTDXEJSSA-N	351.377	4.611	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)c(C)c1	7163658	MTHOLCXIIXRVES-UDWIEESQSA-N	373.456	4.909	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	16440510	ZUVUVEWUKISDIE-XCVCLJGOSA-N	353.155	4.817	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccccn2)ccc1OCc1ccc(F)cc1	35127223	DDODCGIQXYJNGU-PDGQHHTCSA-N	360.388	4.872	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccccn2)c(C)c1	36834881	QGHFRABCCMFKJB-CPNJWEJPSA-N	364.445	4.528	50	20	FJGD	
CN(CCC1CC1)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193607149	VFORMNSVLSCUHN-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NNc1ccccc1C(F)(F)F	301218458	PDDQNTJASXBUPT-UHFFFAOYSA-N	360.788	4.594	50	20	FJGD	
CC(C)[C@@H](NC(=O)NNc1ccccc1)c1cccc(C(F)(F)F)c1	734276568	OTKZLVQNVVWXRR-MRXNPFEDSA-N	351.372	4.729	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccccc3OCc3ccccn3)[nH]c12	735619118	ICEWKVZMSMUQRA-QGOAFFKASA-N	366.424	4.910	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)cc1	746887312	RNJNMQCOFKHNDH-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccccc1OCc1ccccc1Cl	748056790	YPHJUQBLKMFBGV-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
COc1cc(NNC(=O)CCSc2ccccc2Cl)ccc1Cl	790170072	HOYSKIPSONRFAJ-UHFFFAOYSA-N	371.289	4.628	50	20	FJGD	
O=C(NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1F	853314686	SLFWAVHMIIMQCO-VHSXEESVSA-N	350.743	4.563	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc2ncccc2c1	916140234	HCCBTNLCWSAGQX-ZHZULCJRSA-N	355.441	4.905	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)cc1OC	916348384	XWHOBPNYSYFDAD-SJORKVTESA-N	372.509	4.950	50	20	FJGD	
O=C(CCc1nc2ccccc2s1)NNc1c(Cl)cccc1Cl	1319368933	MNOIUOVRZOLUDL-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
CCOc1ccc(NNC(=O)c2nc(-c3ccccc3)oc2C(C)C)cc1	1326466762	OKLHWTIJYWQVEB-UHFFFAOYSA-N	365.433	4.621	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC	18918249	DMYJBMJEMZANGL-SFQUDFHCSA-N	353.393	4.803	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccccc1-c1ncc(-c2ccccc2)o1	153020519	KKROLBDPGNXJEP-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
Cn1c(/C(C#N)=C/c2c(F)cccc2Br)nc2ccccc21	195166919	HWWANUUYFOFZMD-PKNBQFBNSA-N	356.198	4.539	50	20	FJGD	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1	213615465	YKIQBXMTBZJOBR-NVNXTCNLSA-N	366.269	4.949	50	20	FJGD	
CC(C)CN1CC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	278020709	JSOJVDFNCNPFNJ-UHFFFAOYSA-N	358.332	4.769	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccccc2)n1	280907185	GFJNVUKWTNXFMC-RVDMUPIBSA-N	367.474	4.740	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c2c(c1)C[C@@H](C)O2	730149387	WITPQQAMZQANCK-JBARUQGQSA-N	366.417	4.832	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(Cl)c4c(c3)OCCCO4)[nH]c12	735618728	FHCOOVHHPINAND-RIYZIHGNSA-N	365.820	4.750	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1coc2ccccc12	746556781	AWLWKGZQAUCNCB-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1cc(C)ccc1C	748382567	SMMRYQOACQMXSB-UHFFFAOYSA-N	364.367	4.644	50	20	FJGD	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)CCCC[C@H]1CCSS1	755477311	ZGXUKVHXYYLUHC-ROUUACIJSA-N	367.580	4.591	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC(C(F)(F)F)CC2)cc1	766006475	FBDUFNVEBKSZQL-UHFFFAOYSA-N	370.415	4.950	50	20	FJGD	
C[C@H](C(=O)NNc1c(F)cccc1Cl)c1ccccc1C(F)(F)F	770197759	UPRZHBLHLSMQLS-VIFPVBQESA-N	360.738	4.745	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(Cl)cc(C(F)(F)F)c1	777793374	WQXUOJHOHXOYNT-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
Cc1ccc2cc(C=NNC(=O)c3c(Cl)cccc3Cl)ccc2n1	783514107	YTBMUUXGGVZEHG-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(Cl)s1	783687996	SORRGPPWUVZQBK-UITAMQMPSA-N	353.186	4.753	50	20	FJGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@@H](C)C1	783788788	XUXXPCSFARKTAS-HOTGVXAUSA-N	372.472	4.839	50	20	FJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)Nc1ccccc1Br	790100707	SHYNQUFBTSFFFJ-YFHOEESVSA-N	367.655	4.710	50	20	FJGD	
COc1cc(NNC(=O)c2sc(C)nc2-c2ccccc2)ccc1Cl	790178433	VSYTVBIVUNAMID-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1	790600847	HVWXFQJOAZVICP-UXBLZVDNSA-N	363.845	4.779	50	20	FJGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cc(Cl)cc(Cl)c1	791713290	FWGZRTQODMTYRO-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]2C[C@H]21	796032426	KJLRBBWDTXCGCE-JOYOIKCWSA-N	363.373	4.517	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c(-c2ccnn2C)c1	801648690	YZPTYVJAJRXPRQ-PDGQHHTCSA-N	367.408	4.932	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc(Cl)c1O	810217877	MCURSFRHDFAMAH-MLPAPPSSSA-N	362.212	4.888	50	20	FJGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1cc2ccccc2o1	834726099	NRVPYIBEUNZVPO-JKALPCAWSA-N	373.408	4.780	50	20	FJGD	
COC(=O)[C@@H](C)c1cccc(NCc2ccc(OCCCCl)cc2)c1	840958355	QSSMNWKVAHXPIZ-HNNXBMFYSA-N	361.869	4.583	50	20	FJGD	
C[C@@]1(C(=O)O)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841838438	BYTOYSYRWZARQQ-CYBMUJFWSA-N	374.331	4.673	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccc(C#N)cc3)o2)c1C	1324102576	XMADTMVBKIRXDY-YBFXNURJSA-N	357.417	4.501	50	20	FJGD	
CN(C(=O)c1cccc(CCl)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1	1338949560	JFFOIJPLLUOAPG-OALUTQOASA-N	361.844	4.557	50	20	FJGD	
O=C(COC(=O)CCCC[C@H]1CCSS1)Nc1ccc(Cl)cc1	11385991	QKSVYZYHLXPBSU-AWEZNQCLSA-N	373.927	4.536	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(F)(F)F)c(C)c1	22016200	XCSPOJINYQREJP-XNTDXEJSSA-N	360.335	4.748	50	20	FJGD	
N#C/C(=C\c1cc(Br)ccc1F)C(=O)c1c[nH]c2ccccc12	23724413	ADQXNNPKXJQFGS-KPKJPENVSA-N	369.193	4.859	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)s1	103277173	QFCDQRJKIGHXET-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccc(F)c(F)c3F)ccc2c1	110784476	NPMSSTGHMJHKMN-NSHDSACASA-N	374.362	4.513	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F	153729543	YDHKFEOTIGCRSN-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc2c(s1)CCOC2	175638856	LZYIJOZPSDFEKM-UHFFFAOYSA-N	372.515	4.771	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	176902627	CABKOGPROCQMMN-RVDMUPIBSA-N	372.371	4.541	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1SC[C@H](C)C#N	184321114	ILCDMCVOIIOXBP-GFCCVEGCSA-N	358.442	4.535	50	20	FJGD	
CC1(CO)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184407516	SVDQWSPIJAXSNF-UHFFFAOYSA-N	374.375	4.970	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc(Cl)c1OC	207895995	KSKDUKGAQJLMHB-QPEQYQDCSA-N	366.804	4.628	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OC(F)(F)F)c2)c1C	727976446	VCYGWKKBJRCSAF-OQLLNIDSSA-N	360.335	4.748	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	729276581	HKSRUFAVHMCIJB-CYBMUJFWSA-N	367.674	4.739	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2occc2Br)c1C	735304572	LWIJKUUMHLJUEJ-LCYFTJDESA-N	361.239	4.660	50	20	FJGD	
CN1CCCN(C(=O)CCCC[C@H]2CCSS2)c2cc(F)ccc21	740843646	IGMNWZAKNGSZAP-HNNXBMFYSA-N	368.543	4.713	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743336223	FHRIQFBQBYZJJA-QWHCGFSZSA-N	357.187	4.518	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H]1c1ccc(O)cc1	744335377	YKQJLBOGLIXNNL-IAGOWNOFSA-N	351.537	4.770	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1Oc1ccncc1	748573903	PLOLVZSPMCDNAX-UHFFFAOYSA-N	373.456	4.818	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccccc1C(F)(F)F)c1ccc(F)cc1F	751583827	CQPHHYVJUJEKPY-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
CSc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)nc1	752842119	OEWDORCGDJGCCP-UHFFFAOYSA-N	364.474	4.547	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1Cl	753890219	ZSCRUZCFYSXDIQ-SDQBBNPISA-N	350.176	4.931	50	20	FJGD	
Cc1cc(NNC(=O)c2cccc(-c3ccoc3)c2)ccc1Br	760568676	WWINODPUHKNDRI-UHFFFAOYSA-N	371.234	4.774	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1c(Cl)cccc1Cl	763610285	AUFYFPVMZKACQE-UHFFFAOYSA-N	374.271	4.844	50	20	FJGD	
CCCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1cccc(C)c1	767503798	QXNMJQGXQBEWMF-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2csc(Br)c2C)c(C)c1	773458830	OOXYMYUXCOHMJF-UHFFFAOYSA-N	353.285	4.501	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1(c2cccs2)CCCCC1	775257865	YWTPBTDFDNCTRW-UHFFFAOYSA-N	369.412	4.507	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2ccc(Cl)cc2n1	777481683	FWVXGGWLYLJADV-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
CO[C@@H](C)c1nc(COC(=O)CCCC[C@@H]2CCSS2)cs1	782341234	IHKQBANMWYFBID-WCQYABFASA-N	361.554	4.608	50	20	FJGD	
CCOc1ccc(C(C)(C)C(=O)NNc2cc(C)cc(C)c2)cc1OCC	783589144	HZJWGLGIMGYKDJ-UHFFFAOYSA-N	370.493	4.522	50	20	FJGD	
C=C(CBr)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	791487076	UNJQGQSPKHYFOU-KRWDZBQOSA-N	365.702	4.560	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@](C)(O)CC2)cc1	792883269	XPLQUGGPCZEWND-OAQYLSRUSA-N	363.618	4.945	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)ccc1OC(C)C	794883750	CZJFVLNWXBOTJM-YBFXNURJSA-N	372.424	4.820	50	20	FJGD	
CCCN(N=Cc1cnc(-c2cccs2)s1)C(=O)OC(C)(C)C	794996174	AGYWQUFYHSIRAP-UHFFFAOYSA-N	351.497	4.853	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccoc2)cc(C)c1OCc1ccccn1	798231230	XAEMHJHNXROQKD-YBFXNURJSA-N	358.397	4.660	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1	812249223	XRTHFCSWVGVRCD-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn2c1OCCC2	816112747	BLFAZSDNSHBFGA-UHFFFAOYSA-N	369.315	4.575	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1C	840713939	BPZLBUCZHYWKMY-ZHZULCJRSA-N	361.489	4.732	50	20	FJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(Cl)c1	16500351	VKESBOKYPMUMKV-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc2ccccc12	26133228	YQQJVPGMDOVKST-XDJHFCHBSA-N	364.408	4.571	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1ccccc1C(F)(F)F	78561226	NSVUNZVIZBXKDM-FLIBITNWSA-N	352.262	4.529	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cccnc1Sc1ccccc1	120764452	MYMQLYIUSHLWGU-UHFFFAOYSA-N	355.850	4.643	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ncoc1-c1ccccc1	126220207	ZKTHZRXRJKFDMG-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(F)cc2C)cc1-c1ccccc1	160939664	ASCBAHIGDMNFRV-UHFFFAOYSA-N	350.393	4.567	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccccc1F	172000437	WJVOBOFGHUXMLU-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
N#C/C(=C/c1csc(-c2cccs2)n1)C(=O)c1cc(F)cc(F)c1	588597493	LZDJRDSASOCSOW-WDZFZDKYSA-N	358.394	4.940	50	20	FJGD	
CC(C)(C)CC(=O)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	728428823	JUEWEIDUCVCATG-UHFFFAOYSA-N	369.412	4.715	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC1CCCC1)C(=O)Nc1nccs1	742430946	FIIBLKKVZVXHLN-UKTHLTGXSA-N	373.865	4.664	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc2[nH]c(C)c(C)c2c1	748750393	GMRZWPRWKGQIMS-UHFFFAOYSA-N	372.266	4.613	50	20	FJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C(C(C)C)C3CC3)cc12	750917062	ALKAVLQTFPBLBX-UHFFFAOYSA-N	366.490	4.547	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1)c1ccccc1	755405423	ZIOSCDQRDJWKFR-KMHUVPDISA-N	362.326	4.629	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(Cl)c(F)c3)c2)cc1	758291430	IUQMNEAZAUBEHP-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
CS(=O)(=O)CC1(CNc2cccc(S(F)(F)(F)(F)F)c2)CC1	762530385	GMYBTOFNLBIAML-UHFFFAOYSA-N	365.389	4.581	50	20	FJGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccc(Br)cc1Cl	767956676	AFTCYXSGRAWRSL-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1ccc2ccccc2n1	777463960	ZZJIXJBWDUHUHQ-UHFFFAOYSA-N	366.490	4.804	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1Cl)c1nc2ccccc2[nH]1	789129427	ZYZLBGPRUWTQKW-GDNBJRDFSA-N	359.820	4.525	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	790600777	FULGXBRLHCAVEV-XYOKQWHBSA-N	359.882	4.948	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)[C@@H]1CCCOC1	794884063	NQHNWSGRQBOLTA-HXIRNQQJSA-N	369.367	4.660	50	20	FJGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1ccc2ccccc2c1	794895724	IEYJCDDWNIZTCV-UHFFFAOYSA-N	352.384	4.857	50	20	FJGD	
CC(C)n1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1	806571775	ZDLONYFMPJZYHM-QPEQYQDCSA-N	355.854	4.700	50	20	FJGD	
ClCCCOc1ccc(CN2CCC(Cc3cccnc3)CC2)cc1	811488171	MXZBBYWQEQUMLA-UHFFFAOYSA-N	358.913	4.544	50	20	FJGD	
O=C(NN=C1CCCC[C@H]1C1CCCCC1)c1nnc(-c2ccccc2)o1	814816641	YPVNMRMKZCFFSF-KRWDZBQOSA-N	366.465	4.593	50	20	FJGD	
C[C@H](N)[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190259	NXUTWPZFSYJZJS-WDEREUQCSA-N	373.391	4.935	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCCC3	914755598	OXFSHUCOSSHMGP-UHFFFAOYSA-N	353.853	4.847	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(-c2cccs2)c1)C(=O)NCc1ccccc1	917561785	NLFSSYOYGFIEFP-GZTJUZNOSA-N	362.429	4.778	50	20	FJGD	
CC[C@@H](CCNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776711902	ANUGFACQTCIMGP-INIZCTEOSA-N	351.563	4.661	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccccc1Br	132904400	AKXIALQOOXJESG-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1NCc1ccco1	163808533	UCNWXRUOXPRBFG-UHFFFAOYSA-N	361.445	4.527	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCn2cncc2C1	372029312	AQSLHDHDDSNGCE-JTQLQIEISA-N	367.343	4.742	50	20	FJGD	
Cc1csc(CCCCNC(=O)CCCC[C@H]2CCSS2)n1	727109830	RKTLSHYASQDCKU-AWEZNQCLSA-N	358.598	4.605	50	20	FJGD	
O=C(NN=C(CC1CCCCC1)c1ncccn1)c1ccc2ccccc2c1	733901242	ICHRAHLVEMQYHC-UHFFFAOYSA-N	372.472	4.734	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	750606706	IQOMCLMCKJMUJK-AWQFTUOYSA-N	368.839	4.938	50	20	FJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)N(CC(F)(F)F)C1CC1	761206728	VMPJWUMPRSYSHK-YFHOEESVSA-N	368.742	4.546	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21	767232634	XHHYBVHNTGJVKG-MRXNPFEDSA-N	359.901	4.529	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c2ccccc21	769730008	WMXGHZLXJPQEDS-XFXZXTDPSA-N	353.784	4.639	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(CC(F)(F)F)cc1	771156963	CQMYFWCZLFDJIF-UHFFFAOYSA-N	361.726	4.733	50	20	FJGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	776189426	GIBVFPOGVMNTIK-WQLSENKSSA-N	362.212	4.800	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3ccc4cnccc4c3)nc(O)c2c1C	782303558	MOVKLUKQJYHAHM-PXNMLYILSA-N	358.426	4.626	50	20	FJGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(=O)c3cc4ccccc4s3)ccc21	788326055	BNYDWUGZDFHAQO-GZTJUZNOSA-N	372.449	4.600	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	792635998	OIGOFNFYLSKUJD-CLFYSBASSA-N	352.670	4.726	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	794934653	LPBNRSVAUQYQPV-SFQUDFHCSA-N	369.453	4.763	50	20	FJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@@H](CO)c1ccc(Cl)cc1	836797599	VEWWJTZWPNWQBR-CVEARBPZSA-N	373.971	4.546	50	20	FJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)c2ccccc2F)c2ccccc21	916291732	FBPAFNCIMMWVJU-UHFFFAOYSA-N	371.415	4.748	50	20	FJGD	
Cc1cc(C)c(C=NNC(=O)c2ccc(COc3ccccc3)o2)c(C)c1	916359676	JOFADMZWSSQOTE-UHFFFAOYSA-N	362.429	4.548	50	20	FJGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)C12CC3CC(CC(C3)C1)C2	920362430	BTTCUAZZXUZXKR-UHFFFAOYSA-N	371.531	4.538	50	20	FJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(C)c(Cl)c3)c2)n1	1318708499	SKDGCHVFNPBJGE-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
C=C(Cl)C[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776143434	QIQLMQLXPGWFIG-INIZCTEOSA-N	369.965	4.756	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	121504487	RHHJVYKMYTZCLO-DHDCSXOGSA-N	362.341	4.530	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1	123181952	OYSCJZZSMDRPKD-CYBMUJFWSA-N	356.372	4.688	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccccc3F)c(F)c2)c(F)c1	152912600	QONXZXIQLIAFEK-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	189378449	OXHHEOFSAOPALW-QWRGUYRKSA-N	360.348	4.625	50	20	FJGD	
Cc1ccc(SCCNC(=O)CCCC[C@@H]2CCSS2)cc1	248004737	FZXJPLRJJMDQSW-MRXNPFEDSA-N	355.594	4.917	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc(OC)c1O	588424824	MILIDZXPSDBJAV-JYRVWZFOSA-N	359.834	4.634	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnn(-c2ccc(Br)cc2)c1	726118569	OBJZEWAGHRGACO-OQLLNIDSSA-N	372.266	4.547	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccn(-c2ccccc2)n1	748862544	VOXTWSLHWYZFNH-KRWDZBQOSA-N	362.520	4.630	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753373834	OHHDHYWSIYPZOO-PUMYGXPMSA-N	373.412	4.565	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2csc(Cl)c2Cl)n1	761386190	OBMQOUSUJVABME-XVNBXDOJSA-N	359.259	4.752	50	20	FJGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccnc3cc(Cl)ccc23)o1	761491260	SQKQFMUTNMUDRL-BLLLJJGKSA-N	369.852	4.681	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C#N)CC(C)C)c(C)n1C1CCCCC1	768139664	GIVNYAVHBJNTEO-NURJGKTBSA-N	366.509	4.572	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cnc(-c3cccs3)s2)ccc1[N+](=O)[O-]	774561539	PNVZNKSRFABSHQ-KPKJPENVSA-N	369.427	4.853	50	20	FJGD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)CCCC[C@H]2CCSS2)c1	775823916	YZNGVMJKUAKUNI-OKZBNKHCSA-N	365.564	4.772	50	20	FJGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccccc1OC(F)(F)F	779201881	QEKUBZIJTDKEFT-CYBMUJFWSA-N	352.356	4.531	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	786039685	GCXDCPNPQVKEPM-LCYFTJDESA-N	370.257	4.943	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)c1cc(C(F)(F)F)ccn1	812246601	PHKMHSPNACSLKH-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1OC(F)F	812248219	GYRZRESEXGNBHR-WDZFZDKYSA-N	370.277	4.775	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(CC(C)C)c1C1CC1	812766193	BKWIHPCUUIMQND-UHFFFAOYSA-N	354.498	4.605	50	20	FJGD	
CC(C)(C)n1cnc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	813152810	JNVABWRDONHBSR-UHFFFAOYSA-N	370.347	4.943	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cccc(CN3CCCCC3)c2)cc1	839788542	KLTJIKVDEXSVTA-UHFFFAOYSA-N	351.494	4.553	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H]2CC[C@H]1[C@@H](O)C2	887959977	NBTKAGDVYWNLKQ-XDTLVQLUSA-N	372.359	4.721	50	20	FJGD	
CSCc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	913188583	ZMZLRWTXOMXPOQ-UHFFFAOYSA-N	357.866	4.508	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)c1	920158211	BSCLXGMNRZTBTF-AAWHYMEISA-N	359.784	4.699	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)[nH]c12	1322977003	YIDOCQYDHPGYMB-WJDWOHSUSA-N	369.380	4.894	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(C)c(Cl)c3)c2)cc1	1323797412	KZAMCBJLYSVJHF-UHFFFAOYSA-N	351.837	4.776	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1F	151360229	BVHDGWOGSYEVEV-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2cccc3cnccc23)C1	179771673	RKEFSGLIXKIOBM-MJGOQNOKSA-N	369.509	4.834	50	20	FJGD	
COC[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	277382011	IPBCHXLPVOZEBW-SNVBAGLBSA-N	360.348	4.844	50	20	FJGD	
Cc1cccnc1[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)C(C)C	734675044	BGGWIAUTYFZDGL-OAHLLOKOSA-N	367.280	4.720	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2O1	737444245	PRJAGSBIDRHZID-GDNBJRDFSA-N	352.821	4.599	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2cnn(Cc3ccccc3Cl)c2)sc1C	741474058	MZARTPKLHCICFT-APSNUPSMSA-N	354.866	4.722	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl	741475295	XQVSVMARFGHJFU-XTCQQWIJSA-N	359.832	4.886	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747690641	QANXMICQIIMPDM-ZHZULCJRSA-N	353.425	4.911	50	20	FJGD	
CCCCc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1	748701876	FEHMTMKKVGEQDQ-UHFFFAOYSA-N	366.383	4.727	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1c[nH]cc1-c1ccccc1	748730705	BXIJXAVZUHRYOH-UHFFFAOYSA-N	370.250	4.510	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)cc1Cl	775378171	WDRZTRKYGUOWBC-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	780913717	MWSMRFWPHUWICB-NXEZZACHSA-N	365.389	4.811	50	20	FJGD	
CCN(C1CCC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981931	HHTXCNVUACVLNT-UHFFFAOYSA-N	365.389	4.907	50	20	FJGD	
C=C(CBr)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C	791484389	VRKMDPCBJFQNQA-QGZVFWFLSA-N	362.315	4.705	50	20	FJGD	
COc1ccccc1[C@H](C)CC(=O)NNc1cc(Cl)cc(Cl)c1	791733093	HHUDMEYRNWALEW-LLVKDONJSA-N	353.249	4.639	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@](C)(O)CC2)cc1	792883266	XPLQUGGPCZEWND-NRFANRHFSA-N	363.618	4.945	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(C2CC2)cnc1Cl	793756183	KHDFZBMHMKYWCQ-UHFFFAOYSA-N	374.630	4.815	50	20	FJGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)Nc1ccccc1C(F)(F)F	799890624	SAGUQTOZXQCUNT-NTEUORMPSA-N	364.754	4.990	50	20	FJGD	
CN(C)c1ncc(CNc2ccc(S(F)(F)(F)(F)F)cc2)cn1	802759806	RORDCJMYDLUFJV-UHFFFAOYSA-N	354.348	4.812	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1CCCNCC1	841190485	PPWAMOAHKVDPEK-SNVBAGLBSA-N	359.364	4.608	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2nnc(C3CC3)s2)CC1	844345120	NEKFRLCLZBIWNW-UHFFFAOYSA-N	367.635	4.649	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN2CC[C@H](C3OCCO3)C2)c1	896377054	DCOQKEZIGVJZIW-LBPRGKRZSA-N	359.360	4.539	50	20	FJGD	
CCCCC/C(C=NNC(=O)Cc1csc(C)n1)=C/c1ccccc1	916320332	PLODZKRNDMYFGZ-VMXCHRFBSA-N	355.507	4.760	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)c(Cl)c2)c1	920158216	BSCLXGMNRZTBTF-PWDRSIHYSA-N	359.784	4.699	50	20	FJGD	
N#CCOc1cccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	920399301	RXDRZKARFJFDOT-VCHYOVAHSA-N	368.421	4.648	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)cc1	6956886	MDJSLDBBZSVNES-XMHGGMMESA-N	370.456	4.597	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(C)c1OC(F)F	7157322	COZIOTKPRXAGCL-CLXYIWAZSA-N	370.399	4.689	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cn(C)nc1-c1cc2ccccc2o1	63277569	FCFMIFLUXTVKED-DHDCSXOGSA-N	357.369	4.525	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1coc(-c2ccccc2)n1	172611030	SDLWCRUDEBIMCV-INIZCTEOSA-N	362.520	4.672	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(C)c1OC(F)F	211424868	CLYATSPJLYJXEC-ZROIWOOFSA-N	360.335	4.590	50	20	FJGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1cccc(C(F)(F)F)c1	303456917	KFXZADBXQMUCTK-OAHLLOKOSA-N	354.397	4.719	50	20	FJGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)c1ccc(C)s1	588506927	HVMRBOGBKSEXJR-WQLSENKSSA-N	362.248	4.618	50	20	FJGD	
Cc1ccccc1OCCCNC(=O)CCCC[C@@H]1CCSS1	729438984	QJFNACPBILAQMX-MRXNPFEDSA-N	353.553	4.594	50	20	FJGD	
CC(C)(C)CC(=O)NN=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl	731153425	LKKJZBVZTGJIGH-UHFFFAOYSA-N	374.916	4.845	50	20	FJGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NNc2nccc3sccc23)c1	734247833	CVRRVEPMWHWBRB-AWEZNQCLSA-N	369.490	4.639	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	741473118	GDXWWJVJUQOLKL-AMRJIULGSA-N	370.456	4.847	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1	746882622	FQPRUSKTLRBWFL-UHFFFAOYSA-N	368.820	4.898	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1cc(Cl)cc(Cl)c1	748993691	BVBXLIJNGCBUPM-XCVCLJGOSA-N	352.608	4.587	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC	749454067	YGQSHDQEJNEGPD-LUYJPIOASA-N	368.408	4.557	50	20	FJGD	
CS[C@H](C)CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	752176101	MXVZUNIOHOTBIG-LDYMZIIASA-N	372.865	4.779	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccncn1	758915560	ZOOIUIUYXLBRRI-KPKJPENVSA-N	358.348	4.683	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc2c(c1)OC1(CCCC1)O2	775454462	TZQODKOVEDYRLU-UHFFFAOYSA-N	359.813	4.530	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)[C@H](Br)C(C)(C)C)c2)oc1C	781080359	WOIDPJFUMIHXNL-AWEZNQCLSA-N	365.271	4.707	50	20	FJGD	
CCc1cc(O)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	791156465	DJVRPGNPQCWLSD-VXLYETTFSA-N	365.477	4.575	50	20	FJGD	
Cn1c(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)ccc1[N+](=O)[O-]	792548019	WOQZOFBOORHGKO-UHFFFAOYSA-N	371.287	4.843	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccc2nc(-c3ccccc3)oc2c1	793707744	ZPMKJBXVIALKKJ-UHFFFAOYSA-N	365.339	4.530	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794883472	BHCJUZLWMMHVLM-XNTDXEJSSA-N	364.836	4.535	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)Nc1ccc(Cl)cc1Cl	794931017	IMHOCYZHRWRRJC-VMPITWQZSA-N	369.154	4.523	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCC[C@H]2C2=CCCCC2)o1	814820777	PFIUJXYSZLDGNG-IBGZPJMESA-N	371.525	4.898	50	20	FJGD	
CN1CC[C@@H]2CN(C(=O)c3ccc(S(F)(F)(F)(F)F)cc3)CC[C@@H]21	827276562	CVIFSKHZZVEWPF-OCCSQVGLSA-N	370.387	4.510	50	20	FJGD	
CON(C(=O)CCCC[C@@H]1CCSS1)[C@H](C)c1csc(C)n1	833750456	PJPSQXYQTFNKDG-DGCLKSJQSA-N	360.570	4.617	50	20	FJGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)C12CC3CC(CC(C3)C1)C2	915922478	QVYWTLCBYZZQCN-UHFFFAOYSA-N	361.489	4.865	50	20	FJGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccc(Cl)nc3)s2)cc1	920478746	FDOKANCHPHDNER-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccnc(Oc3ccccc3)c2)cc1Cl	1318242077	FDEPCYMIFHEBOF-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
CC(C)n1ncc2c1[C@H](NC(=O)CCCC[C@H]1CCSS1)CCC2	1321183320	BZIPWWLMJWPBFV-JKSUJKDBSA-N	367.584	4.672	50	20	FJGD	
CC(CC[C@H]1[C@H](C)CCCC1(C)C)=NNC(=O)c1ccc(C(=O)O)cc1	1776101282	AFIAKXKAXSFHJT-KDOFPFPSSA-N	358.482	4.733	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccsc2)c(-c2cc3ccccc3o2)n1	63278638	NAWNVMXDWVEAPQ-NVNXTCNLSA-N	359.410	4.685	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F	67006205	MRSMRKUZJXPDMO-XFFZJAGNSA-N	366.726	4.610	50	20	FJGD	
N#C/C(=C/c1sccc1Br)C(=O)c1c[nH]c2ccccc12	588467538	QSKADZIYNQUCCO-YFHOEESVSA-N	357.232	4.782	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1	731931470	INGLSBBBYYMUNA-SFHVURJKSA-N	367.449	4.593	50	20	FJGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNc1nccc2sccc12	734248957	CVUFYQGSFXKCDG-QGZVFWFLSA-N	371.531	4.697	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccccc1Nc1ccccc1	740142819	XFUNNTPIXCHDOO-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cnc2ccsc2c1	741766449	VIYGCLORIMRJMP-UHFFFAOYSA-N	358.854	4.804	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	748759467	RUSLTVSDFVATEK-IRXDYDNUSA-N	372.255	4.788	50	20	FJGD	
O=C(CC1CCCC1)NN=Cc1ccc(-c2nc3ccccc3s2)o1	749450011	RJSJJDMXASLPAN-UHFFFAOYSA-N	353.447	4.587	50	20	FJGD	
CC(C)C(=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1	750917066	APGVGACECMKHET-UHFFFAOYSA-N	372.472	4.691	50	20	FJGD	
CCN1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1C	752972006	GLXSZWNILIIRMQ-NSHDSACASA-N	373.391	4.902	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761393905	UJSILTWRHPOCAY-XYOKQWHBSA-N	350.365	4.929	50	20	FJGD	
O=C(NN=C1CCC(C2CCCCC2)CC1)c1cc(Br)c[nH]1	766434962	UKKXDDCXTSJLME-UHFFFAOYSA-N	366.303	4.634	50	20	FJGD	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1OC(F)F	777872548	WMAYQMDAVGEFGU-GDNBJRDFSA-N	353.328	4.711	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)s2)c1C	783493831	TYTZAORVHWKQRQ-MFOYZWKCSA-N	371.506	4.745	50	20	FJGD	
CSSCCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C	791116442	LHHGNMZNASTRAE-UHFFFAOYSA-N	358.941	4.513	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)c1ccc2ncccc2c1	794884006	NBFRNODKEHRVNI-SXGWCWSVSA-N	368.314	4.923	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1	794885435	RQJYVGBSCKYEGM-XSFVSMFZSA-N	355.441	4.871	50	20	FJGD	
Cn1c(Cl)cnc1CNc1ccccc1S[C@@H](Cl)C(F)(F)F	799339359	MOTJELASMVNWGG-GFCCVEGCSA-N	370.227	4.905	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)cs1	801176397	WDWICTBPDSAVMJ-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(F)c(Br)c(Cl)c2)c1	802826475	FPASYMDJGMIBQO-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)c1ccc(COc2ccccc2)o1	814762124	OKCHNSHELPAVEP-SFHVURJKSA-N	374.440	4.912	50	20	FJGD	
Cc1ccccc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016018	BRRDMCLLZXHCOW-UHFFFAOYSA-N	362.273	4.790	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c(Br)c1)c1ccccn1	840713645	TZOKSCWXQRAJFJ-VBKFSLOCSA-N	368.278	4.899	50	20	FJGD	
CCOc1c(OC)cc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1OC	843266503	WIHOAJRRCQZQPS-AUWJEWJLSA-N	356.447	4.501	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(-n3cccn3)cc2)cc1	884220052	FILVZXLEIRMXJK-XDJHFCHBSA-N	355.441	4.960	50	20	FJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1cccc(Cl)c1	918014258	PCRPRLOBRWHMPP-UHFFFAOYSA-N	351.837	4.865	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)c1ccccc1C	1320690983	LJPCOMKZTGBNJK-XSFVSMFZSA-N	354.409	4.856	50	20	FJGD	
O=C(NN=Cc1ccc(Br)c(Cl)c1)c1ccccc1Cl	1321095761	YALVSWSKYCJXKA-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(C(=O)c2cccs2)CC1	1323708697	NHEWADWDAFHTSS-UHFFFAOYSA-N	353.604	4.665	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1csc(COc2ccccc2)n1	1323882340	JEGZWLDTAGXNFP-WJDWOHSUSA-N	360.438	4.820	50	20	FJGD	
CCOc1ccc2c(c1)CN(C(=O)CCCC[C@H]1CCSS1)CC2	1337995903	AJHUTUHFLGRIGO-SFHVURJKSA-N	365.564	4.684	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	6366469	VEEWOEGEVASKIV-SDNWHVSQSA-N	373.428	4.613	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1	7208284	REVIEEASYMUILN-ACCUITESSA-N	352.415	4.807	50	20	FJGD	
Cc1ccc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	31682416	WLAPVRODXGRAQU-FDXCNZBMSA-N	352.484	4.998	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1OC(F)F	44028390	SNGBSSLPWFYRRZ-JYRVWZFOSA-N	363.385	4.847	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)ccc1F	124390212	BALIYESFEIVHKV-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1[nH]c2ccc(Cl)cc2c1Cl	158160662	SNSHMPQFMJBNQO-UHFFFAOYSA-N	356.159	4.510	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)o1	176855930	SATRBSPCEIFDIG-GXDHUFHOSA-N	350.399	4.644	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c1	179604119	VOJSWDZAJZWEQJ-MHWRWJLKSA-N	368.795	4.952	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(-c4c(F)cccc4F)o3)nc12	741474668	YAXQWSJJRWMYSU-FMIVXFBMSA-N	362.339	4.869	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1Cl)C(=O)c1ccsc1	742348779	DGPXZZVHXQZJRP-WZUFQYTHSA-N	352.640	4.954	50	20	FJGD	
C[C@H](Cn1cccn1)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762969081	SGEXKGVUTJLGEM-SNVBAGLBSA-N	370.347	4.751	50	20	FJGD	
CO[C@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1Cl	763814540	NVWQVWWDKSQVJU-CZUORRHYSA-N	373.971	4.858	50	20	FJGD	
O=C(CCc1cncc2ccccc12)NNc1ccc(Cl)cc1Cl	765605224	QTXRZCAOOSSPKR-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c(C)o1	767877733	ILGDGARVHCQRAI-VIZOYTHASA-N	350.340	4.667	50	20	FJGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)Nc1ccccc1Oc1ccccc1	777464669	ZKPQBPKXCSHJGZ-FOWTUZBSSA-N	359.360	4.559	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)C1CCCC1	781554679	STMYEJRSWNMSAM-FJJYYWMZSA-N	359.853	4.564	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3Cl)n2)cc1	783687446	CFEAKACLIWLFQU-RIYZIHGNSA-N	366.764	4.671	50	20	FJGD	
C[C@H](CC(=O)NNc1ccccc1Br)c1c[nH]c2ccccc12	787454941	JGHQEZJCSBHZOE-GFCCVEGCSA-N	372.266	4.567	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3cccc(Cl)c3)sc2c1	788686910	BRNGLKNOYGYXRA-XYOKQWHBSA-N	354.818	4.748	50	20	FJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1cc(C)cc(C)c1	793705789	HCNLXSLLVXVUSL-UHFFFAOYSA-N	369.852	4.931	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1)O[C@@H](C)C2	797398823	LJSLVUJPWVRGTB-CUTJPZLCSA-N	354.475	4.837	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)s1	802860753	YSLZRVTUZDIWHH-UHFFFAOYSA-N	372.265	4.682	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812246688	RRORAJFHMVANLQ-GHXNOFRVSA-N	366.726	4.605	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cnc(-c2ccc(C)c(C)c2)s1	848642537	WVKFOAPIPFHRLU-YVLHZVERSA-N	360.504	4.506	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H]([C@H]2CCCCO2)C1	855952167	SGTOHIZYCBKJJE-GVDBMIGSSA-N	357.585	4.508	50	20	FJGD	
COc1ccc(Cl)cc1CCNC(=O)CCCC[C@H]1CCSS1	1327994892	UYIPUVFKRVQBQM-HNNXBMFYSA-N	373.971	4.721	50	20	FJGD	
CCN(C1CC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186305329	CEYWRJDWXNEBDL-UHFFFAOYSA-N	351.362	4.517	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H]1CO	190284932	XDBYLPVKXDDLNH-CABZTGNLSA-N	360.348	4.579	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12	211510471	GTZOSVIMDVGKIY-AJAXPMSXSA-N	369.380	4.850	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)c1C	212698840	UFTXCFDVFGAUQZ-QGOAFFKASA-N	358.445	4.609	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](c2ccccc2F)C1	730553415	ZPLIAIJROOXNLS-CABCVRRESA-N	353.528	4.856	50	20	FJGD	
C=CC[C@H](C)NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	735170611	NPEQJHLQDHHRCO-JOYOIKCWSA-N	352.809	4.992	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(CCC(F)(F)F)CC1CC1	752515781	OZZFLWQWLSGIST-ZDUSSCGKSA-N	355.491	4.892	50	20	FJGD	
C[C@H](CBr)CN1CCc2sccc2[C@@H]1c1cccs1	770643986	IUUWLEPVJWKGSH-IAQYHMDHSA-N	356.354	4.788	50	20	FJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccc(Br)s1	777872458	VFPVUWULISWKPD-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)C(=O)c1ccc(OC(F)F)cc1	794712355	OQHVEMSYIFUQHS-SOFWCMHBSA-N	361.294	4.912	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1	794965524	VNABVFMBZFORJL-XDHOZWIPSA-N	364.408	4.723	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	814190126	OLFDAPAPCKGUKQ-ZDNWFZDKSA-N	353.368	4.847	50	20	FJGD	
CC(C)[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)Nc1ccccc1	899868250	NFBVQXNUBCDSLL-QZTJIDSGSA-N	366.596	4.953	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)Cc3ccc(Cl)cc3)c(Cl)nc12	916351580	ABEWLHRQCGIZMW-UHFFFAOYSA-N	372.255	4.543	50	20	FJGD	
CC1CCN(C[C@H](C)c2nnc(CCCC[C@H]3CCSS3)o2)CC1	1118132609	VROXLARTWURGPF-HOTGVXAUSA-N	369.600	4.772	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)o1	1318565130	XIWLSQIRSQUKOK-KAMYIIQDSA-N	370.387	4.984	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3cnn(C(C)C)c3nc2Cl)s1	105570625	UEEBYNQXJZEVAB-MLPAPPSSSA-N	370.865	4.825	50	20	FJGD	
COCc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)cc1	122273400	ZGPDNDJTIFQMMQ-ZSOIEALJSA-N	373.206	4.568	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2c1	160146681	GEXWQFWHZKWENG-RAXLEYEMSA-N	352.777	4.640	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	174060535	SRKDVOODOIVFDR-OVCLIPMQSA-N	350.805	4.758	50	20	FJGD	
Cc1cnc([C@H](NC(=O)NNc2ccc(Cl)cc2Cl)C2CC2)s1	175874661	CXWLFBYTPNPFDN-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1F	195502089	ZHDYLKGAEUAHGU-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2C1	725899663	FVVBPAXDRUHXCF-NSHDSACASA-N	371.893	4.831	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C3CC3)o2)cc1	732715186	ONNPNLTYZHTWFM-GDNBJRDFSA-N	374.362	4.715	50	20	FJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1ccc(C)cc1O	734299125	SBNWHZQRLRQANE-UHFFFAOYSA-N	362.882	4.642	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc1C	741475363	YYZLYOZVSDYOMY-MHWRWJLKSA-N	368.462	4.723	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@H]1CCSC1	743084503	NTTUNPOKKRZYSP-GZMMTYOYSA-N	370.849	4.533	50	20	FJGD	
C[C@@H](Sc1cc(F)ccc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	746237800	VDSOXBVOCJQIKT-LFAWPXTESA-N	374.437	4.967	50	20	FJGD	
Cc1nc(-c2cccc(C(=O)NNc3cccc4c3CCCC4)c2)cs1	748580385	BEJRRPJUKOHHMW-UHFFFAOYSA-N	363.486	4.754	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1cccc2cnccc12)c1cccc(Cl)c1	748759192	KNLRLLMHBXOPTD-LJQANCHMSA-N	353.853	4.771	50	20	FJGD	
COc1ccccc1C1(CNC(=O)CCCC[C@@H]2CCSS2)CC1	749637065	WTRCZQIYPRGPJH-OAHLLOKOSA-N	365.564	4.557	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(C)nc1C(C)(C)C	752963083	SEBQZOWWAPFZDC-UHFFFAOYSA-N	370.522	4.668	50	20	FJGD	
Cc1ncsc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	760954339	DGBIGGLAJXISDR-YVLHZVERSA-N	368.506	4.921	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1)c1ccccc1	761384161	FQFCOPNAHVEVCW-DKGMDFAASA-N	365.433	4.610	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2csc(Cl)c2Cl)n1	761386188	OBMQOUSUJVABME-CLTKARDFSA-N	359.259	4.752	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl	761392923	QSBNELRASMIVFJ-MDWZMJQESA-N	363.779	4.930	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(F)c(F)c1F)c1ccc2ccccc2c1	769023215	ZBGDUTPUBDPWAZ-UHFFFAOYSA-N	358.363	4.678	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	773149779	KQPBOYZKVNXEGV-IZZDOVSWSA-N	350.176	4.931	50	20	FJGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	780586807	GDZHNZDHKQJJET-KRWDZBQOSA-N	359.297	4.751	50	20	FJGD	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973947	LJRZEUSPTPTQGT-JTQLQIEISA-N	365.389	4.907	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794869781	NBBSFBVLNRSTJR-NTCAYCPXSA-N	370.387	4.591	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	794873335	QWTJQKVGDSELON-ATVHPVEESA-N	353.381	4.717	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cnn(Cc3ccc(F)cc3)c2)s1	797397860	BNWATKOWHUOPIS-LZYBPNLTSA-N	366.465	4.889	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(NC(=O)C(F)(F)F)c2)cc1C	809160496	QSNXAIIUEPPEPG-SXGWCWSVSA-N	372.346	4.594	50	20	FJGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817935721	YXIACMHYWNOQGA-RAXLEYEMSA-N	364.392	4.867	50	20	FJGD	
C[C@@H](O)CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	847166321	JNXAIKJQPQCGMC-SECBINFHSA-N	360.348	4.721	50	20	FJGD	
O=C(Cc1csc2ccccc12)NNc1ccccc1C(F)(F)F	916162666	BIOVGLPJQIQUPP-UHFFFAOYSA-N	350.365	4.606	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@@H](C)c2ccco2)c1C	920006445	UXCNTBKCMAMKBS-AMRJIULGSA-N	365.477	4.767	50	20	FJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1ccc(OC)cc1	1251875230	UDGYLJQZXOKZMO-UHFFFAOYSA-N	362.882	4.637	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)CCc2nc3ccccc3s2)cc1	1320199374	CXZGMUYSSQLSNT-UHFFFAOYSA-N	353.491	4.670	50	20	FJGD	
Cc1cc(/C=C(C#N)/C(O)=N/c2nnc(C(C)C)s2)c(C)n1CC(C)C	25323523	NPDKIQUVGIALSD-LZYBPNLTSA-N	371.510	4.931	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(NC(C)=O)cc2)cc1	57547097	VBHWGELWVXBTLS-CCNLRRDASA-N	361.445	4.704	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-]	59270847	PTCMWHHDNPQNMM-KPKJPENVSA-N	361.184	5.000	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(Cl)nc1Cl	116227938	KGMHWFXHWYLOKZ-UHFFFAOYSA-N	358.228	4.872	50	20	FJGD	
Cc1c(C(=O)NNc2cnc3ccccc3n2)oc2c1ccc1ccccc12	163456348	BSXKVNBLJNHFAF-UHFFFAOYSA-N	368.396	4.595	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	728785785	MRKOTJVCCGIYRY-OVCLIPMQSA-N	370.387	4.795	50	20	FJGD	
CC[C@@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	729515154	VYALRVHHZNPYTL-AWEZNQCLSA-N	353.853	4.915	50	20	FJGD	
CSc1ccc(C(=O)NNc2ccc(Br)cc2Cl)cc1	733808443	QGRZAQTWYDMKQA-UHFFFAOYSA-N	371.687	4.581	50	20	FJGD	
COc1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)ccc1SC	746489119	RQHPCVWWLJUHAF-UHFFFAOYSA-N	374.531	4.511	50	20	FJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1ccccc1F	748056499	BFUGJZKSBIRCAP-UHFFFAOYSA-N	362.404	4.599	50	20	FJGD	
O=C(NNc1ccccc1Br)c1cc2c(F)cccc2s1	748068229	KFOULXXHNAUQJL-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2c1	763278005	RYPULLHCXYGWHQ-UVTDQMKNSA-N	366.804	4.949	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	776725099	CVDFFNYTVDOFGO-MDXIRLPMSA-N	358.182	4.573	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1	780851627	SRNWRHYQJNONTQ-RKDXNWHRSA-N	360.788	4.667	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)c(F)c1	784446056	GRIMARYRWXQQDC-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1csc(-c2cccs2)n1	785366451	PQESYCVUZZWWIH-NTEUORMPSA-N	352.440	4.522	50	20	FJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)Nc1ccccc1C(F)(F)F	790098345	ADCRGRPQSBCLTD-JXMROGBWSA-N	356.756	4.966	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1	791732376	KSGRXNGBTQDMTB-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)ccc(Br)c2F)s1	799893250	QDADXOSRFHJDHL-TWGQIWQCSA-N	368.202	4.887	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c1	809145658	CGNFWKPJRHFROY-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1	811475635	JAOJYOWLJJSTCA-SFTDATJTSA-N	359.897	4.704	50	20	FJGD	
O=C(CCc1cccc(Cl)c1)NNc1ccnc2cc(Cl)ccc12	812023227	WOJLNGQSZQSTHU-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc(-c2ccc(O)cc2)n1	812768208	KEBBMHKDVWUIBC-UHFFFAOYSA-N	367.474	4.704	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(F)c1Br	816781852	ABGWFVJZQCVPQV-UHFFFAOYSA-N	365.246	4.777	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCc3sccc3[C@H]2C)c1C	824620509	RSJLHPCDIYQTKT-UWCCDQBKSA-N	367.518	4.629	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cn1	840713117	AIYHQGQGIAYPSP-NYYWCZLTSA-N	366.774	4.905	50	20	FJGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccccc2)C(C)C)cc1	915933070	DTTNBEMPJRNION-UZLBHIALSA-N	367.493	4.541	50	20	FJGD	
CC(C)(C)[C@H](Br)c1nnc(COc2ccc(Cl)cc2)o1	1118077262	UYLZSBMSJPNQQG-GFCCVEGCSA-N	359.651	4.784	50	20	FJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1cccnc1Cl	1331365728	JCIPPSGWFXCKFB-UHFFFAOYSA-N	365.820	4.506	50	20	FJGD	
O=C(NN=C1CCCCC[C@@H]1c1ccccc1)Nc1ccc(C(=O)O)cc1	1776046281	IWPIOVLJYVRHOT-GOSISDBHSA-N	365.433	4.610	50	20	FJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1cc(F)c(F)c(F)c1	175503189	ZDRKRUXTRGUJDQ-GFCCVEGCSA-N	365.399	4.626	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OC(F)(F)F)c1C	209220193	NZWNNNSMEOIKSD-GDNBJRDFSA-N	360.335	4.748	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1c(Cl)cccc1Cl	209916900	CTWYYJATEBVPOO-JXMROGBWSA-N	353.155	4.817	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c(Cl)c1OC	730436147	GGZQXAAZPCPBCW-XNTDXEJSSA-N	355.821	4.764	50	20	FJGD	
CCOC(=O)/C(C#N)=C\N[C@H](c1ccc(C(C)C)cc1)c1cccs1	730985439	RABGRZIBAQADLN-BLMOFCDVSA-N	354.475	4.521	50	20	FJGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)c1ccc(Cl)cc1Cl	741756597	KYXOOCJWUAEINZ-UHFFFAOYSA-N	351.164	4.643	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(CCC(C)C)n2)cc1	744501869	IVFRWOFSPWSEJO-LICLKQGHSA-N	354.475	4.691	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC	749453400	SMXVHWBABOQVQD-YSKWHIJTSA-N	361.445	4.823	50	20	FJGD	
NC(=O)c1ccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1	770513255	CXBHARBYRKAVTF-OAHLLOKOSA-N	374.815	4.617	50	20	FJGD	
C=CCCCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	770787836	RMHFGYIZXKKMBW-UHFFFAOYSA-N	372.359	4.755	50	20	FJGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1C	782978972	GPWNJLLJCYSDNX-NXEZZACHSA-N	365.389	4.621	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ncsc1-c1ccccc1	783679548	NZHZUWOTJMRWBT-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
N#CCC[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccc1	790433171	JYPNMVPGEXRVPS-INIZCTEOSA-N	363.248	4.665	50	20	FJGD	
N#C/C(=C\c1ccc(Br)s1)C(=O)c1ccc2ncccc2c1	794883898	DTVJOKCFRGBDBW-UKTHLTGXSA-N	369.243	4.849	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	806567958	OIJBGRKFZOLCHW-BJMVGYQFSA-N	373.256	4.598	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1OC(F)F	809145985	KIXOKBIECBFWKG-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2oc(CO)cc2c1	816760047	AZODBAQWSNBHPO-OAHLLOKOSA-N	351.493	4.578	50	20	FJGD	
CSCC1CCC(=NNC(=O)c2sc(-c3ccccc3)nc2C)CC1	834929027	HTBVTFHKGOAEFM-UHFFFAOYSA-N	373.547	4.758	50	20	FJGD	
O=C(NCCC[C@@H]1CCCN1)Nc1cccc(S(F)(F)(F)(F)F)c1	841190151	LJNSICTYUVMDCF-NSHDSACASA-N	373.391	4.998	50	20	FJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1ccc(F)cc1	841259796	JXQNXEHXHHXVOO-ZRDIBKRKSA-N	356.397	4.850	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)NC1CCCCC1	915843084	NUEDHXRVSSQQLY-OWBHPGMISA-N	354.837	4.956	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916362119	PROOWFYGMAUTEO-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@@H](C)c2ccco2)c1C	920006448	UXCNTBKCMAMKBS-NFBGKYEXSA-N	365.477	4.767	50	20	FJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1cccc(Cl)n1	1347804754	LBGQKKFYDSYKTF-UHFFFAOYSA-N	365.820	4.506	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC	23217913	DUHIIUMHRJUTRM-GHRIWEEISA-N	361.445	4.825	50	20	FJGD	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C(\C#N)C(=O)C(C)C)cs1	54898137	YBJSCOKVQHZDNW-MDWZMJQESA-N	373.865	4.613	50	20	FJGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)c1	88423131	OYFMVVHWRYNUGI-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1nnc(-c2ccccc2)o1	728156277	FHUIQFBVHXMMSZ-OAHLLOKOSA-N	354.454	4.593	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccnc3C)n2)c1	728785891	OWPUMEUBACFYPE-LICLKQGHSA-N	374.469	4.676	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cnc(C2CC2)s1	729296659	YMMZKGAKXPQWCS-UHFFFAOYSA-N	362.669	4.738	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCOC(C)C)c(C)n1C1CCCCC1	733411504	GODDHFNEUPSSCG-ZHZULCJRSA-N	372.509	4.875	50	20	FJGD	
CSCc1c(C(=O)NNc2nccc3sccc23)oc2ccccc12	734248977	DVRCZMNMXZKAMW-UHFFFAOYSA-N	369.471	4.662	50	20	FJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)C(=O)NC1CCCCC1	734368936	ZXYJIQKOQLOAQD-QBFSEMIESA-N	356.372	4.581	50	20	FJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C)C1CCC1	737588874	KWSOJFQNGPAJHC-RGEXLXHISA-N	353.510	4.918	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1	743057438	RRHBNCCVPVXMND-KAKTVLCNSA-N	371.820	4.589	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccccc1OCC1CC1	763608901	GLAZSDVAIHGTQF-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc2ccccc2c2cccnc12	770198147	WVYRWLRMZKDLFC-UHFFFAOYSA-N	365.795	4.937	50	20	FJGD	
C[C@@H]1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC12CCC2	771462574	IYCVLKYHYVTTHD-HXUWFJFHSA-N	367.473	4.513	50	20	FJGD	
CN(CCOc1ccccc1Cl)C(=O)CCCC[C@@H]1CCSS1	771795921	WACDIEUSRQJPTC-CQSZACIVSA-N	373.971	4.891	50	20	FJGD	
C=CCC[C@@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	779008054	CNFJAWIQUNMMJC-QGZVFWFLSA-N	359.267	4.642	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)c1ccc2ccccc2n1	780186213	DSWAZTUYRAOPRP-YBFXNURJSA-N	354.388	4.683	50	20	FJGD	
COc1ccc2cc([C@@H](C)OC(=O)/C(C#N)=C\c3ccc(O)cc3)ccc2c1	784020866	LMBLJUJULSFSRQ-UWOKGBPVSA-N	373.408	4.765	50	20	FJGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(F)cc1Br	790806235	ATKNPBLKVHQMKN-UHFFFAOYSA-N	365.246	4.544	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2ncco2)cc1	792344284	KPCDKPPNCJRREL-UHFFFAOYSA-N	363.204	4.797	50	20	FJGD	
Cc1cc(C(=O)NNc2c(C)cccc2F)cc(Cl)c1Br	803116362	JIMXPFBXDOHANY-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
O[C@@H](c1ccccc1)C1CCN(Cc2ccc(OCCCCl)cc2)CC1	811454469	JYGPLVGFTWYDOO-QFIPXVFZSA-N	373.924	4.640	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)cc1OC	814755454	QOHHRDDJEYUAPZ-QGZVFWFLSA-N	366.461	4.538	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O	846966528	MPTUQXURNWKAJO-XMTFNYHQSA-N	371.612	4.633	50	20	FJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cccc(Oc2ccccc2)c1	916338505	NIBDIGUSQALHCQ-UHFFFAOYSA-N	369.424	4.653	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1	920928922	NCLBRVLXICYPEJ-UHFFFAOYSA-N	367.840	4.552	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCc3ccccc32)c1C	105642856	RPICCFICMBHSRR-FBHQFGEZSA-N	361.489	4.568	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)nn2)oc2c1ccc1ccccc12	118527033	HFKZNSUSKBXEHW-UHFFFAOYSA-N	374.444	4.739	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(-c2ccccc2)on1	124477305	LADAIMCOJAASRL-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(F)c(F)cc1Cl	178875501	BJMDHSFICOLYFT-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1OC	195173545	OYDXATYQCHDFKL-VCHYOVAHSA-N	365.429	4.509	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)Nc1ccccc1Cl	255776048	UVJBAAQUARQYER-LCYFTJDESA-N	357.866	5.000	50	20	FJGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccc(OCC)c(OC)c1	740761525	WYOQZRDHLAOYPW-UHFFFAOYSA-N	368.477	4.613	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1Br	746391817	BEOVUMJGMXCYLF-YBEGLDIGSA-N	369.262	4.920	50	20	FJGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(Cl)c1	746704795	JJLBDAURVIPQEJ-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cccc(Nc2ccccc2)c1	748763236	SVEJMIUJTOHHEZ-UHFFFAOYSA-N	354.413	4.735	50	20	FJGD	
CC[C@@H]1CCCC1=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	758370484	DVZIMRMIXDRBEM-LLVKDONJSA-N	361.898	4.947	50	20	FJGD	
C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1C	762975523	NUVOUHHMQGKWFM-GHMZBOCLSA-N	373.391	4.900	50	20	FJGD	
C[C@H](Sc1nc2ccccc2s1)C(=O)NNc1ccccc1Cl	763090971	GFCMIABLNPSFSX-JTQLQIEISA-N	363.895	4.574	50	20	FJGD	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H](Br)C(C)(C)C)C1	768197969	IKQAMMFEJUFOIX-KCPJHIHWSA-N	356.279	4.545	50	20	FJGD	
Cc1ccc(-c2ncco2)cc1NC(=O)NNc1c(F)cccc1Cl	771176673	JKTYYXBOTSQBKE-UHFFFAOYSA-N	360.776	4.591	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143810	FIWTVMXQLWSWNX-YHYXMXQVSA-N	350.296	4.568	50	20	FJGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1	773152802	SPKBFNFLHSBJPL-ZSOIEALJSA-N	374.293	4.537	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)C(=O)[C@@H]1CCCOC1	794884330	OSTARHZRMUHLBC-PCRWRXJSSA-N	357.862	4.971	50	20	FJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CCC(C(F)F)CC1	799472378	NQVBJXQNEVQPPZ-AFYYWNPRSA-N	360.404	4.535	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCC(=O)c1ccc(F)cc1F	812769496	JSQBRESBTBUJJH-UHFFFAOYSA-N	360.404	4.503	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ncc(CSC)s1	834400312	DVQVNSPPLPDUIZ-DHDCSXOGSA-N	371.531	4.677	50	20	FJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)cc1C	916129401	HJNXGSYPAFINCU-ZDLGFXPLSA-N	374.469	4.676	50	20	FJGD	
CCC(=NNC(=O)CC(F)(F)F)c1ccc(Oc2ccccc2)cc1	921258040	GWBFDAUZUQYTEV-UHFFFAOYSA-N	350.340	4.662	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F	1256381566	HBYUYXNODIWEKG-XFFZJAGNSA-N	359.319	4.802	50	20	FJGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	1776035672	VZPLCQGRNBGXLS-UHFFFAOYSA-N	373.412	4.516	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC[C@H](CC(=O)O)C(F)F)c1	1776269170	ZMKCKHHYFAVFII-AWEZNQCLSA-N	373.516	4.516	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csc(C(=O)O)c2)cc1	1776697454	CQRYNVGAYGKHTF-IYVNWDGISA-N	354.431	4.505	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csc(C(=O)O)c2)cc1	1776697455	CQRYNVGAYGKHTF-PWDRSIHYSA-N	354.431	4.505	50	20	FJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C)CCC2)cc1	1786443813	JEPBFTPOWVQMKI-MRXNPFEDSA-N	364.917	4.574	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)c(C)c1	172521914	BZOPOWGGUWQKQM-OQLLNIDSSA-N	353.491	4.912	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1COc2ccccc2C1	175633246	WNUNGZVHUPAALN-KRWDZBQOSA-N	366.486	4.574	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1F	213504557	UOSJUUGLDCYGSA-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)Nc1ccccc1C(F)(F)F	255445521	BVQVFBAYPXEGNI-LFIBNONCSA-N	356.347	4.740	50	20	FJGD	
CC[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1cccc(Cl)c1	726706058	VDVCTGWJZQGSIW-OAHLLOKOSA-N	369.799	4.719	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cc(C(F)(F)F)ccc1F	733203543	PBFNWKQCHKOKNT-UHFFFAOYSA-N	374.337	4.691	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	752771940	NQIXRVXINZFHCX-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)Nc1cc(Cl)ccc1Cl	756264369	DEFIALYMEWZKFD-WUXMJOGZSA-N	360.175	4.550	50	20	FJGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H](Sc1ccccc1)c1ccccc1	768504163	HQLWTMFEHFWUCT-LJQANCHMSA-N	374.469	4.540	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(F)c(Cl)c1	773144379	KWDMMGUUPFBQAV-VZUCSPMQSA-N	365.147	4.831	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2c(ccc3ccccc32)[nH]1	775271223	DWXVYOPBNJMGAX-UHFFFAOYSA-N	371.227	4.780	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1F	779753010	UJTLGARNFRHKRJ-ZROIWOOFSA-N	358.800	4.732	50	20	FJGD	
CCC[C@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974459	VMIDDACEHZXFOZ-VIFPVBQESA-N	353.378	4.811	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1)c1ccccc1	789147596	JILBPAFELOKXIK-GSPCDJLXSA-N	363.442	4.578	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3ccsc3)nc2C)ccc1Cl	790176348	QYEYPEMEFQFEGH-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2)c1Cl	794952744	IQFNNJUKKLLOMQ-LFIBNONCSA-N	355.869	4.806	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cn1	797785910	YKRXWBFXTSCMNN-LGMDPLHJSA-N	351.413	4.790	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C)c(Oc2ccncc2)c1	799758948	DKTRWJQWNJUPJP-UHFFFAOYSA-N	361.445	4.810	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(-c2cnn(C)c2)c1	801648512	TWXCHZGDIYOBKC-YVLHZVERSA-N	353.429	4.644	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cscc1C(F)(F)F)c1ccccc1	811627108	TVFPGSIIGLHPIE-NUBYWOLOSA-N	350.365	4.551	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1Cl	857545966	NXPGWBAZEZVQAQ-UHFFFAOYSA-N	367.280	4.787	50	20	FJGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1nc(C(C)(C)C)cs1	915863995	YFIUGLCZHQXMEX-GDNBJRDFSA-N	369.490	4.773	50	20	FJGD	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)C(C)C)cc1	915991183	YWGIATBWJXWJDD-AQTBWJFISA-N	371.440	4.680	50	20	FJGD	
CC(C)c1ccc(C2(C(=O)NNc3ccc(F)c(F)c3F)CCC2)cc1	1318310117	IYRYMUQXINOHKH-UHFFFAOYSA-N	362.395	4.792	50	20	FJGD	
C[C@@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)cc1F	1324711556	GKFWRACXXXMNQN-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1csc2ccc(C(=O)O)cc12	1777477180	GHQDNKDBTQHJSB-WUXMJOGZSA-N	353.424	4.759	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	5554650	FECNRUVNROMMFT-QINSGFPZSA-N	373.368	4.709	50	20	FJGD	
CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	6341829	MRRGSCGNXUVIDZ-UKTHLTGXSA-N	362.376	4.973	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1OCC	8201905	RNGXRQBBCBFYSR-FOWTUZBSSA-N	353.393	4.803	50	20	FJGD	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(=O)NC1CCCC1	14178576	HZJWIRQIEFCGLM-ACCUITESSA-N	363.442	4.522	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)s1	27060397	BKPJCKOWPPZABG-ZRDIBKRKSA-N	374.259	4.814	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(-c2ccccc2)nn(C)c1Cl	734752604	HQNFVNSFOFKYKL-UVTDQMKNSA-N	367.861	4.900	50	20	FJGD	
COc1ccccc1C[C@@H](C)N(C)C(=O)CCCC[C@@H]1CCSS1	742776313	ATRPTCIKOOGSGM-NVXWUHKLSA-N	367.580	4.799	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](C)n1nc(C)cc1C	748668149	XQCJKQUBAHSDIC-HNNXBMFYSA-N	370.522	4.788	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc2cnccc12)c1cccc(C(F)(F)F)c1	748766919	GZTZQWXLZQBFES-ZDUSSCGKSA-N	373.378	4.891	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)c1	754274147	JOMSPDXEIGFLQR-UHFFFAOYSA-N	362.477	4.679	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ncoc1-c1ccccc1	757422681	RFSPRXZURKDGDJ-UHFFFAOYSA-N	360.325	4.622	50	20	FJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	772379580	VQSNJHZZDDSOQK-NHDPSOOVSA-N	374.463	4.939	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccc(Nc2ccccc2)c1	775257812	XNFSGDVWXPPUAQ-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
CSSCCNC(=O)c1sc(C(C)(C)c2ccccc2)nc1C	791114050	UGJHGUSPERKNME-UHFFFAOYSA-N	366.577	4.518	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(Br)s1	916354896	QCQJSCDFYIHSKG-WDEREUQCSA-N	355.301	4.587	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccccc1C(F)(F)F	917790299	GOVHEUNJPWEVJV-UHFFFAOYSA-N	373.378	4.776	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)c1nc(-c2ccccc2)no1	920063648	CJFGANULWVGKPW-RIYZIHGNSA-N	362.439	4.986	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F	1256381567	HBYUYXNODIWEKG-YRNVUSSQSA-N	359.319	4.802	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1Cl	1322961974	NUMUMXWICIFPAD-IZZDOVSWSA-N	371.227	4.592	50	20	FJGD	
COc1cc(C(=O)O)ccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	1777269665	ALDWRRSZSQGGPM-CXUHLZMHSA-N	362.410	4.581	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cccc1OCC	6410598	PBJQQNMPNLTUGP-NBVRZTHBSA-N	364.445	4.728	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2nc(C)cs2)o1	20621079	QTBLCYYFFKUUFP-UKTHLTGXSA-N	350.399	4.562	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2COC)c1C	44549138	OXUROVDODWGPHL-DEDYPNTBSA-N	365.477	4.597	50	20	FJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)C(C#N)=C1Nc2ccccc2N1	104835098	JPESEUQWVJNASZ-LLVKDONJSA-N	355.850	4.662	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)ccc1SC	179608518	MWNRGWAEYWSVNX-KPKJPENVSA-N	361.825	4.999	50	20	FJGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2ccc3ccccc3n2)c1C	189019057	LMRJDRHSYDPFHY-UHFFFAOYSA-N	357.413	4.869	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1c(Cl)cccc1Cl	255913368	TUVAVDKXSQVAMF-NTEUORMPSA-N	371.223	4.858	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)c1nc(-c2ccccc2)no1	727264483	RVGVFYUVAFYBLI-LFIBNONCSA-N	356.410	4.924	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1csc(-c2ccccc2C)n1	727303581	ZWFCMPMEPFGZHX-UHFFFAOYSA-N	368.414	4.863	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	727975757	HRHRMGKOXCONMQ-YCRREMRBSA-N	371.145	4.956	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ncccc3Cl)sc2c1	734247371	GNMQYSVRBCQIIM-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1)C1CCCCC1	734367680	LLNXYNJVWSOOMA-OWBHPGMISA-N	370.399	4.923	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735618618	CQRBCSMKBLTXHD-LFIBNONCSA-N	371.419	4.877	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1C	742224850	ZPHJQTCZLOCXOJ-MJSCBBHESA-N	369.431	4.515	50	20	FJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc2sccc2c1	748188657	UXONTLLBNFMNIX-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
CCc1nc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)co1	753644611	VPRXHUOXCNCDKZ-CYBMUJFWSA-N	364.776	4.709	50	20	FJGD	
Cc1cc(CN(C)C)cc(NC(=O)CCCC[C@H]2CCSS2)c1	759743892	BPMPHYSHWZDJEF-KRWDZBQOSA-N	352.569	4.709	50	20	FJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)NCc1ccc(F)c(F)c1	761386214	OIGHQJWIKWLQBQ-WTKPLQERSA-N	373.211	4.556	50	20	FJGD	
C[C@@]1(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC(=O)N1	762817013	AASNKDZFQBZSBL-CQSZACIVSA-N	372.359	4.731	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	771320992	XBGKXFOHYXHSAD-ZDUSSCGKSA-N	370.453	4.645	50	20	FJGD	
CN(CCOc1ccccc1Cl)C(=O)CCCC[C@H]1CCSS1	771795887	WACDIEUSRQJPTC-AWEZNQCLSA-N	373.971	4.891	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)cc3F)n2)cc1	772795507	ALMFKGZLRSHGHL-CXUHLZMHSA-N	361.401	4.894	50	20	FJGD	
CC1(C)C[C@@H]1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777944692	GNHCUMBLGGWPCU-SECBINFHSA-N	365.389	4.668	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(Cl)cccc1SC(C)C	782356249	XAHBNNFFARFSKB-RAXLEYEMSA-N	357.928	4.920	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1cc(-c2ccc(Cl)cc2)no1	785378801	SSBRSJRSJBSGKK-YBEGLDIGSA-N	364.788	4.645	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)C(=O)NC1CCCCC1	789126959	JGNVKIDBKOHIAX-GXDHUFHOSA-N	371.893	4.819	50	20	FJGD	
COC(=O)N(C)N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	794957632	FTUMOWQEEKEKBG-UHFFFAOYSA-N	367.232	4.605	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@@H]2C[C@H]21	806184204	VOPDIDSVMUDNKV-XWIASGKRSA-N	364.820	4.922	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(Cl)cc1Cl	807119663	VRIALWBNYCYHSE-GFCCVEGCSA-N	374.271	4.864	50	20	FJGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)c2ccccc2)c2ccccc21	916248835	OYDPVQHBJICURI-UHFFFAOYSA-N	353.425	4.609	50	20	FJGD	
N#C/C(=C1\COc2ccc(F)cc21)c1ncc(C(F)(F)F)cc1Cl	918155255	FXOHWIPFWVLWOZ-QXMHVHEDSA-N	354.690	4.720	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	6628466	XLZWLDFRHGTXIU-WOJGMQOQSA-N	356.429	4.548	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ncccc3Cl)c2c1	84403630	PQOYYAWGSKPDFJ-UHFFFAOYSA-N	366.852	4.534	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(OC(F)F)cc1	105007864	WNFSKACVFFRCOM-AWEZNQCLSA-N	361.479	4.618	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1sccc1-c1ccccc1	127164406	ZTKQBTWIVZFRAA-UHFFFAOYSA-N	373.275	4.935	50	20	FJGD	
CC[C@H](NNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1F	160877532	QRQRITYKAZMTMS-AWEZNQCLSA-N	359.203	4.657	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@@H]1C1CC1	192255726	RUAJHRWFVHCUKW-CYBMUJFWSA-N	372.359	4.987	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)OCCO4)n2)cc1	208554235	HKANUUUQWCBWSS-YVLHZVERSA-N	360.438	4.954	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@](C)(C#N)C(C)C)c(C)n1C1CCCCC1	261368845	VZRFBGOGTSENPB-GSERBOKHSA-N	366.509	4.572	50	20	FJGD	
CC[C@@H](C)N(CCO)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	287111640	LKBNQEHEDWOOAY-SNVBAGLBSA-N	362.364	4.969	50	20	FJGD	
N#C/C(C(=O)CSc1cccc(Cl)c1)=C1/Nc2ccccc2S1	726121048	METGIHPEBCTFGT-GHRIWEEISA-N	358.875	4.954	50	20	FJGD	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)[C@@H](C)CC	726430391	SCTCBBJMDLTGBZ-IGVUGNCQSA-N	350.256	4.760	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCc3c(C)cccc32)c1C	729442962	ZGPUPKUOUMMNIG-QUYTYNJFSA-N	361.489	4.534	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1C(=O)c1ccccc1	748577860	QXXJGNUJBJFONF-UHFFFAOYSA-N	370.452	4.553	50	20	FJGD	
N#Cc1ccc(NNC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F	748623478	NMVNEDYEXASLJV-UHFFFAOYSA-N	373.378	4.532	50	20	FJGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@H](C)c1nc2ccccc2s1	748779128	VVIDFKAWEBSNOK-LBPRGKRZSA-N	362.458	4.687	50	20	FJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2c(Cl)cccc2Cl)s1	763613152	QEJWUAVOKBDTLF-BQYQJAHWSA-N	370.305	4.904	50	20	FJGD	
C[C@H](C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)CCC#N	765992794	GNNMYPFWOHVGTB-HNNXBMFYSA-N	374.419	4.696	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(Cl)cc3Br)nc12	769769893	DZOAEPNTECWPAI-IZZDOVSWSA-N	373.641	4.746	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(OC2CCC2)c(F)c1	770057791	NSGWKKPIXXNXFI-UHFFFAOYSA-N	372.425	4.515	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3ccc(OC(F)F)cc3)cc2c1	776259594	LFDURURDOHLDEP-UVTDQMKNSA-N	369.323	4.833	50	20	FJGD	
CC(C)(C)Sc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccn1	778564444	BGCQAWFVYUQPCZ-UHFFFAOYSA-N	369.412	4.748	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794703544	VOTGWCICQIRVSZ-NCPSJORJSA-N	361.367	4.803	50	20	FJGD	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@H](CBr)C1CC1	859106849	QNBRUADXXNMOGY-FHWLQOOXSA-N	366.343	4.507	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(c2cccc(Cl)c2)CC1	913484542	BKPALKDXUSXGQN-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2cccc3ccccc23)cc1	915200493	DCKBSCQCQYLLFD-PGMHBOJBSA-N	370.452	4.504	50	20	FJGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccccc2C(F)(F)F)c1	916997943	CSKDZABTKNMCEE-LLVKDONJSA-N	372.774	4.578	50	20	FJGD	
Cc1sc(C(=O)NNc2ncccc2Cl)cc1-c1ccc(F)cc1	88377608	WSUHVQXIJJFSPU-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(NNc1ccccc1)c1csc(-c2cccc(C(F)(F)F)c2)n1	111555245	WKGPZEOPBKVLCH-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
CN(C)C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192259023	LJRQDRSZKGSJKN-NSHDSACASA-N	373.391	4.759	50	20	FJGD	
CC1(CO)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	192261170	KKULUBIPCHZNRJ-UHFFFAOYSA-N	374.375	4.970	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1	195620151	UFECBYLKMKHJHN-KPKJPENVSA-N	350.708	4.914	50	20	FJGD	
COc1ccc(NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1	729272756	ZYGYKEPLSLQSLD-UHFFFAOYSA-N	367.474	4.699	50	20	FJGD	
COc1cc(Cl)ccc1CNC(=O)CCCC[C@H]1CCSS1	730792760	JHFDNLJWKSKDSW-AWEZNQCLSA-N	359.944	4.679	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1	741470581	RVXWVZKGBJPRRZ-IQGJIOQQSA-N	351.402	4.645	50	20	FJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)NNc2ccc(Cl)nc2)cc1	745800953	CJQRPMPTBNFGMI-GFCCVEGCSA-N	364.902	4.623	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccccc1Nc1ccccc1	748754740	YLYGWMIKKKASFW-UHFFFAOYSA-N	354.413	4.735	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(-c2ccoc2)c1	760760839	RKTBEJRXCNFHNG-UHFFFAOYSA-N	371.234	4.774	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	761588420	MGRVNQKURMAUKL-UHFFFAOYSA-N	370.396	4.843	50	20	FJGD	
CCCCN(C)S(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	766569417	GHZXIKZQWKXJDH-UHFFFAOYSA-N	368.393	4.733	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c2ccccc21	769723749	BLOLUBYHXIOJSQ-RVDMUPIBSA-N	354.413	4.636	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1c[nH]cc1-c1ccccc1F	787440109	IGZLDABGHSGETJ-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
Fc1cccc(OC(F)F)c1CNCc1ccc(OCCCCl)cc1	811482578	MGIVHOCJWMSHHP-UHFFFAOYSA-N	373.802	4.725	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Br	811626361	GBDAVDSSSRMPDQ-POHAHGRESA-N	360.173	4.990	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc(OC)c1O	812248000	BICCIKBXQVLNDB-ZSOIEALJSA-N	360.335	4.607	50	20	FJGD	
CCOc1ccc(NNC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)cc1	817899045	GMBPSZCGMURVQU-CYBMUJFWSA-N	366.383	4.741	50	20	FJGD	
COC1(CNCc2cccc(S(F)(F)(F)(F)F)c2)CCOCC1	840973004	AREVGZMHMOMWQJ-UHFFFAOYSA-N	361.376	4.629	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc(C)sc2C)c1C	914732980	QMGBFLNEIMQXPE-SKCQWOFPSA-N	369.534	4.978	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(N2CCCCC2)cn1	915654855	ZTAZOLPBTVEJHJ-MRXNPFEDSA-N	365.568	4.725	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2-c2ccccc2)c1	917516193	NHZUEYVJTXQFLJ-RGEXLXHISA-N	354.409	4.908	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)c1cc2c(s1)CCC2	917536904	XWUISVXRCAWAGY-UHFFFAOYSA-N	370.474	4.868	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c(Br)c2)c1	918714391	UMIGRKKHWXLHFA-NVNXTCNLSA-N	358.210	4.995	50	20	FJGD	
Cc1cc([C@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)c(C)o1	1320993613	MARCYHZBJJFICZ-SFHVURJKSA-N	367.429	4.561	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-c2nc3ccccc3s2)o1	46081126	XWWSUFDCMAHBJG-UHFFFAOYSA-N	369.833	4.967	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC	60790451	XPTBUZCXMICKBC-YVLHZVERSA-N	351.377	4.579	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(OC(F)F)c1	172092440	KLOWYUYOABBBAI-MDWZMJQESA-N	368.339	4.568	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)c1nc2ccccc2[nH]1	183937058	NOIMUQMAXKQFLF-KPKJPENVSA-N	361.298	4.707	50	20	FJGD	
CCC(C)(C)CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	192115156	QIJCDJMOSNTZHD-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1C	255136457	QBWWMZMZYWZYKL-UNOMPAQXSA-N	363.486	4.939	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC(C)C	588597496	MBCPGGGAFPQWDD-UUASQNMZSA-N	357.356	4.550	50	20	FJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	730574697	YKFIQBYTKMUMRH-CJAAZZPWSA-N	361.850	4.554	50	20	FJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1ccc(Cl)nc1	734299577	ZSCZTXNVMLUPRE-UHFFFAOYSA-N	368.289	4.677	50	20	FJGD	
CC[C@@H](C(=O)NNC(=O)C[C@H](C)c1ccc(C(C)C)cc1)c1ccccc1	737557736	LZBQAXXWDZDLKV-LAUBAEHRSA-N	366.505	4.645	50	20	FJGD	
CC(C)C[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	740818287	VTNAIZSFJSXWMG-HNNXBMFYSA-N	361.829	4.521	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)nc2)oc2c1ccc1ccccc12	743818125	MSENCAKTBLJNKQ-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C3CC3)oc2cc1C	749807259	NGGUYRXXRWWOBH-RIYZIHGNSA-N	362.351	4.510	50	20	FJGD	
C[C@@]1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCOC1	752985917	WXEABBMJBYZBFD-ZDUSSCGKSA-N	360.348	4.892	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	764414992	XKEAHEMXSXMFBQ-NTMALXAHSA-N	366.414	4.617	50	20	FJGD	
CC(C)Cc1nc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cs1	767406264	BJBZHWVFVUFKOI-UHFFFAOYSA-N	362.257	4.544	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(-c2ccco2)s1	767845390	UPKOAUOUWXJBGW-UHFFFAOYSA-N	369.833	4.967	50	20	FJGD	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H](Br)C(C)(C)C)C1	768192131	LDCPOTUBKPXEBY-KCPJHIHWSA-N	356.279	4.545	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3c[nH]nc3-c3c(F)cccc3F)[nH]c12	768490181	NKHYBWUCZOZKDW-XYOKQWHBSA-N	361.355	4.604	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(OC(F)F)c(Cl)c1	769927509	XXDPFSFZDMMVNA-UHFFFAOYSA-N	362.163	4.743	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cn(Cc2ccccc2)c2ccccc12	771697677	FGRRXSISZPIDGQ-UHFFFAOYSA-N	373.431	4.894	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	782370332	TWGKYDPJWQXHSM-WPBJZHHJSA-N	370.330	4.786	50	20	FJGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1cc(C)nc2ccccc12	794866444	SKNLZUPCOYTGRN-UHFFFAOYSA-N	367.399	4.560	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1COc1ccccc1	799755894	UFZKTNNEOSDMRE-UHFFFAOYSA-N	360.457	4.893	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(COCCOC)cc2)cc1	809147418	NYGVJVCUYBVPKK-JCMHNJIXSA-N	363.457	4.592	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1)c1csc(-c2cc(F)ccc2F)n1	810019262	BAPIQWPTMLINPN-UHFFFAOYSA-N	373.428	4.509	50	20	FJGD	
O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1cc2c(s1)CCC2	818236404	RHAJMIZFYHHUJW-UHFFFAOYSA-N	373.692	4.961	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@@H]2CCOC23CCOCC3)c1	926596498	MXWOLJGGMIYEBF-CQSZACIVSA-N	373.387	4.772	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccc(Cl)s3)cc2)cn1	1321107106	ULMXXCPWWSSBQU-RIYZIHGNSA-N	353.834	4.592	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Br)c(Cl)c1	120296264	WSOVIWMMMJIIQQ-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	171020226	UHVFTAMZAFPOPB-NDENLUEZSA-N	370.456	4.516	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)cc1OC	175628106	CKLDXUQWDUYFFY-UHFFFAOYSA-N	370.474	4.654	50	20	FJGD	
COc1cc(C2(C(=O)NNc3cccc(Cl)c3)CCCC2)ccc1C	731000626	OMESWYVBESMBBG-UHFFFAOYSA-N	358.869	4.612	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1Cl	753302542	IUTUTBLSNYMNAI-RTBURBONSA-N	361.832	4.612	50	20	FJGD	
C[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979665	KELCSPIJVKOWHE-MNOVXSKESA-N	374.375	4.969	50	20	FJGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3cc(Cl)cc(Cl)c3)n2c1	771859636	OMDZMVLZPXGJDJ-AWNIVKPZSA-N	356.212	4.739	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773160605	OHUFMIXVRUERMC-VZUCSPMQSA-N	354.690	4.683	50	20	FJGD	
CC[C@@H](C(=O)NNc1c(Cl)cccc1Cl)c1ccc(OC)cc1	775777874	OFGSIKJAXVTXOU-CYBMUJFWSA-N	353.249	4.639	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cccc(Nc2ccccc2)c1	777465902	VRTQIIAVZWQNMH-UHFFFAOYSA-N	354.413	4.735	50	20	FJGD	
CCN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCC1	784967820	XFGLNDOZUKRNRX-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)N[C@@H](C)c3ccc(OC)cc3)c[nH]c12	787153846	GGGDANJWKSPSNR-BRFSQIRFSA-N	373.456	4.523	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C	793712898	XUBCPSAEWNKANE-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)cc2c1	794884815	MHVLFVVOHRBEFM-SFQUDFHCSA-N	354.365	4.779	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	799757567	ZHNYJIMFOMJQCG-UHFFFAOYSA-N	371.440	4.978	50	20	FJGD	
Cc1nc2c(s1)[C@H](N(C)Cc1ccc(OCCCCl)cc1)CCC2	811464272	UNKRLWYVSIWAGO-GOSISDBHSA-N	364.942	4.969	50	20	FJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCCCC34CCCC4)sc2n1	814776654	GPCRPZLGQBIDOE-UHFFFAOYSA-N	370.522	4.716	50	20	FJGD	
C[C@H]1C[C@H](CN)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191498	ZSWUJMKNSCMZEG-VHSXEESVSA-N	359.364	4.545	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	916349036	IUYYHSZQDWNALZ-VQHPVUNQSA-N	365.502	4.660	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776751264	DGYLRBUJBUGFKA-YQODDJSKSA-N	361.441	4.893	50	20	FJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1	1790489088	QEGDWPHMORBCJL-KRWDZBQOSA-N	364.917	4.574	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC=C(c2ccc(O)cc2)CC1	69645896	FAKDURSUISHTSE-SFHVURJKSA-N	363.548	4.722	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)s1	105570546	MSKAUBSBOHNGGE-JYRVWZFOSA-N	351.349	4.788	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	109707589	MZICSXAQFPJBGR-LFIBNONCSA-N	353.381	4.921	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(Cl)cc1	120211244	QNJJHSMUHNWARY-UHFFFAOYSA-N	368.868	4.580	50	20	FJGD	
CCC[C@@H](CC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183493045	XKOFZUKDPDIJKX-SNVBAGLBSA-N	374.375	4.977	50	20	FJGD	
C[C@@](C#N)(NC(=O)CNc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	186146009	FHJANRYNCDKTRJ-AWEZNQCLSA-N	369.359	4.564	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(Cl)c(C(F)(F)F)c1	255270870	QBACNVUKYVOJNS-RJRFIUFISA-N	363.166	4.690	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc(Cl)c1O	727654709	JMWSGVXHOAEBMR-NVNXTCNLSA-N	355.821	4.851	50	20	FJGD	
CSC[C@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	731325431	OIRKMMRBAQANNX-UFBFGSQYSA-N	357.850	4.844	50	20	FJGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(Cl)c1	732917924	UAARLFNZQCJQML-FQEVSTJZSA-N	350.849	4.558	50	20	FJGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2sc3ccccc3c2Cl)c1	744729953	UUSGZYRBMYQIMY-UHFFFAOYSA-N	372.877	4.701	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1	746340995	FABPQEOMDHQVEX-XNTDXEJSSA-N	374.362	4.958	50	20	FJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1cccc2c1CCCC2	748570808	WTKLOOXINHCMQG-UHFFFAOYSA-N	369.515	4.816	50	20	FJGD	
O=C(C[C@H]1CCCCO1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	755150946	TYUKQFQFBBJITL-QMTHXVAHSA-N	367.820	4.804	50	20	FJGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)Nc1ccccc1Br	755586650	CEZSVAKVTIWKEC-UVTDQMKNSA-N	355.235	4.612	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761390081	BFUZAQGWNZQFSW-YFHOEESVSA-N	367.257	4.999	50	20	FJGD	
Cc1ocnc1CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762965223	FVNXIWGWBUPULO-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc2ccsc12	767252710	YYARRWUDOLGPSR-UHFFFAOYSA-N	369.515	4.656	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3ccc(OC(F)F)cc3)oc12	776256732	FTLVSDKSRYBJAP-UVTDQMKNSA-N	369.323	4.833	50	20	FJGD	
Cn1c(/C(C#N)=C/c2c(F)cccc2OC(F)(F)F)nc2ccccc21	789128697	AXWUWZSCJKIISO-PKNBQFBNSA-N	361.298	4.675	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(Cl)c1	797035075	RHHQCYWKSIYFCL-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1Cl	797407241	QDYUFPOSUQEORL-VMPITWQZSA-N	374.819	4.910	50	20	FJGD	
ClCCCOc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1	811454413	KPWGEADHCDHSFC-UHFFFAOYSA-N	373.924	4.876	50	20	FJGD	
CC(C)Cn1nccc1/C=C(\C#N)c1ncc(C(F)(F)F)cc1Cl	843269753	UBTDYAFZFXTRMV-VZUCSPMQSA-N	354.763	4.670	50	20	FJGD	
Cc1ccccc1NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	865537616	DXRZEOSCSSFYBJ-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
Cc1cccc(NNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1	874327975	PZLSKHLQWBCQHR-UHFFFAOYSA-N	373.294	4.713	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(Cl)cn1	875100959	ZKXOJJVIWWXBJF-UHFFFAOYSA-N	359.882	4.614	50	20	FJGD	
COC(=O)[C@@H](CC(F)F)NCc1cccc(S(F)(F)(F)(F)F)c1	893955689	GHPXXGLJJDWMSP-SNVBAGLBSA-N	369.302	4.630	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2cccs2)c1C	914275901	GFUPREPEAJJZHI-CWDSQJGSSA-N	367.518	4.847	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)c1c(Cl)cccc1Cl	915989989	IAAMFUYKQDGBNW-XYOKQWHBSA-N	360.196	4.554	50	20	FJGD	
O=C(CCc1ccc2ccccc2c1)NNc1ccc(Br)cc1	918320095	PRQSBYSIXLLJGA-UHFFFAOYSA-N	369.262	4.678	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)n1	920387863	PUFPPEDUQZEUKI-UKTHLTGXSA-N	368.389	4.783	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)c2ccccc2C)o1	1317700546	NEBLYYLFZTYBRD-SSZFMOIBSA-N	371.392	4.832	50	20	FJGD	
Cc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cccc1[N+](=O)[O-]	15434704	UOMJFPOIZCZVKP-UHFFFAOYSA-N	374.611	4.620	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1occc1CSc1ccccc1	136102976	FIAZZWNDGBPYGD-UHFFFAOYSA-N	358.850	4.982	50	20	FJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2cccc(F)c2)cc1	154583065	HUNIJWUGOLIXFR-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
CCC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	193509017	VWYMZIJVXHABEP-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1OC	210013535	WMHQAYKUCSHAPA-WJDWOHSUSA-N	360.413	4.755	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12	211510625	GTZOSVIMDVGKIY-HNBDTFNUSA-N	369.380	4.850	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2ccco2)nc2ccccc12	301240131	LNLJXDZISCQLAG-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnn(-c2ccc(Br)cc2)c1	726118567	OBJZEWAGHRGACO-DHDCSXOGSA-N	372.266	4.547	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)c1C	727827645	JYFUYULFHUUWJM-LGMDPLHJSA-N	371.396	4.792	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccn2c1	733885926	IGNZZWPSRFZBJW-UHFFFAOYSA-N	354.624	4.656	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1	734303608	WIVJMICPEDKKSW-NTCAYCPXSA-N	352.409	4.750	50	20	FJGD	
O=C(NNc1ccc(F)cc1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1	743750979	AAGFUEUTPHSPQM-IBGZPJMESA-N	370.811	4.743	50	20	FJGD	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)c3ccoc3C)c2C)cc1	744859680	XFXUZANQDYHNJI-PDGQHHTCSA-N	360.413	4.794	50	20	FJGD	
Cc1[nH]c2c(C(=O)NNc3cc(C(F)(F)F)ccc3F)cccc2c1C	754147408	MUTPOADMZKPUHA-UHFFFAOYSA-N	365.330	4.700	50	20	FJGD	
CC[C@H]1CCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762653221	NUBIFNRDECSGBE-NSHDSACASA-N	372.359	4.684	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21	762742381	SPVLZCDPACGTFU-LJQANCHMSA-N	373.928	4.670	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1OC	772177992	DNJCYIQDOOFGBC-GZTJUZNOSA-N	353.393	4.803	50	20	FJGD	
O=C(NNc1ccccn1)c1ccccc1Oc1ccc(Cl)cc1Cl	777471767	YJXKVGIKXJMZRW-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	786929601	SXIDHALKCOLJIV-ZHZULCJRSA-N	354.409	4.913	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1	788928220	CAMMQAPTMTUXMF-CYBMUJFWSA-N	371.362	4.773	50	20	FJGD	
CCCN(N=C[C@H](C)Cc1ccc(OC)c(F)c1)C(=O)OC(C)(C)C	794998253	LDZFEVRJTPFVBB-CQSZACIVSA-N	352.450	4.646	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2ccccc2cc1O	812017077	AILRZIYHMJKLPN-UHFFFAOYSA-N	363.804	4.504	50	20	FJGD	
CCC(=O)c1ccc(O)c(NC(=O)CCCC[C@@H]2CCSS2)c1	812705314	YEWGGOWZSNUYGM-CYBMUJFWSA-N	353.509	4.638	50	20	FJGD	
O=C(NC[C@@H](CO)CC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	822461301	XJUPMKOICPRORE-NSHDSACASA-N	374.375	4.874	50	20	FJGD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)NNc3ccc(F)cc3)cc2)cs1	916568095	YOAQXEDNBOJTRF-GFCCVEGCSA-N	370.453	4.645	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)c1ccc(F)c(Cl)c1	1319782709	DNXIOMNEGNYWGH-WJDWOHSUSA-N	354.812	4.869	50	20	FJGD	
C/C(C=NNC(=O)c1ccccc1Cl)=C\c1ccccc1OC(F)F	1323979324	ARRORLBEDLVBJV-SJLHFSNBSA-N	364.779	4.761	50	20	FJGD	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCCC[C@H]1CCSS1	11385417	WYSXXFFJFWOMST-CABCVRRESA-N	367.536	4.579	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)s1	33572258	YSRSNIJGMOKPNF-FLIBITNWSA-N	353.472	4.710	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@H]1c1cccc2ccccc12	178488598	OUHIKDGAXNRDOY-SFTDATJTSA-N	353.425	4.635	50	20	FJGD	
COc1ccc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	210453865	MUBKLTYHFWAEOI-RILUTCLRSA-N	368.483	4.698	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)o1	255330994	WZNRPLLBCSLTRN-NQFXMWKNSA-N	360.335	4.967	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1OC(F)F	588424555	HOKHPQKJAHAXPC-JXMROGBWSA-N	369.776	4.801	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)c3ccc(C)s3)c2C)no1	729849556	IOBSJBAHUMIFNV-SXGWCWSVSA-N	351.431	4.550	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)ccc1F	730436555	RUXSFSZYYRIYNB-YRNVUSSQSA-N	350.212	4.748	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(OCC(F)F)cc3)n2)cc1	741848517	NTQLZUQLFJYGLB-MHWRWJLKSA-N	367.355	4.753	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	750606713	IQOMCLMCKJMUJK-UKWGHVSLSA-N	368.839	4.938	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnc1Cl	760211189	NKGJEHVVIGHHKQ-VZUCSPMQSA-N	366.635	4.896	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cnc1Cl	760213141	WOSHNGGZZINLAP-WDZFZDKYSA-N	366.635	4.896	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(SC(F)F)cc1	769921278	VNVWEKMOGLOHMA-UHFFFAOYSA-N	366.418	4.760	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cn(C)nc3-c3ccccc3)c[nH]c2c1	771522433	ZTWAIBLMRZMWJU-GZTJUZNOSA-N	366.424	4.667	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)OC1CCCCC1	773916348	ZDDXYYNDYKABTG-XMHGGMMESA-N	362.429	4.540	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3cc(Cl)ccn3)c(Cl)c12	778453189	MEZHRIQLXRTRMV-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	780912237	BAWHAJJFLTYDNM-NXEZZACHSA-N	365.389	4.811	50	20	FJGD	
C[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782981003	MUGGEVJPCDGZKV-UWVGGRQHSA-N	365.389	4.763	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1	790230922	GKKNWBWZEVSYBD-SFQUDFHCSA-N	357.413	4.649	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCC2)cc1	790805168	ZFBIWVYZJGOAPK-UHFFFAOYSA-N	350.340	4.610	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1OCC	794884865	NGTDDHMGJGNCPY-UNOMPAQXSA-N	372.424	4.822	50	20	FJGD	
O=C(Cc1coc2ccccc12)NNc1c(Cl)cc(F)cc1Cl	802965606	KAIMTZNCEHCJPW-UHFFFAOYSA-N	353.180	4.565	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21	804347696	ADLBBYZMJMFZMO-VVLHAWIVSA-N	364.327	4.591	50	20	FJGD	
Cn1ncc(NC(=O)CCCC[C@@H]2CCSS2)c1-c1ccccc1	805457358	UNLZHCDWZBLYLV-OAHLLOKOSA-N	361.536	4.740	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cc2c1	810153348	AVKKZYLEPAXRHQ-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CCCNCC1	841190484	PPWAMOAHKVDPEK-JTQLQIEISA-N	359.364	4.608	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)c1C	915860062	GJTWUXUQOQPSGV-DHDCSXOGSA-N	371.824	4.866	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1c(F)cccc1F	918102587	YMJXPJLGDSJBQA-MRVPVSSYSA-N	360.191	4.659	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccccc1Cl)c1ccccc1C(F)(F)F	919920325	SCYHLVFOPQFWJD-SNVBAGLBSA-N	357.763	4.746	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccc2ccccc2n1	1254245119	GJCWPKRRAUUJBP-UHFFFAOYSA-N	372.428	4.770	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)s1)c1ccccc1Cl	1317748316	KLMZXYPJVCVQMP-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
CCc1cc(SC#N)cc(C)c1NC(=O)CC1(C(=O)O)CCCCCC1	13469536	VDLQOUSYIVXNHE-UHFFFAOYSA-N	374.506	4.884	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2ccccn2)ccc1Cl	123660016	HRTXWVPQLHQUOX-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2cc(F)c(F)cc2F)c1C	188856102	AQVVPLKNHUDKTF-UHFFFAOYSA-N	360.335	4.738	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc1Cl	727264885	ZEYGDWMUHWVNGO-MHWRWJLKSA-N	353.805	4.703	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2C)c1C	727655542	XKRYXLWUJYFQIY-FYJGNVAPSA-N	369.468	4.955	50	20	FJGD	
Cc1ncccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	744775216	YLEYGKOWCMZJCS-UYRXBGFRSA-N	362.477	4.859	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CCC=C(C)C)s2)cc1	749158760	RHNFEDCUUCHFAQ-UHFFFAOYSA-N	371.506	4.858	50	20	FJGD	
O=C(NNc1ccccc1[N+](=O)[O-])C1(c2ccc(Cl)cc2)CCCCC1	751280151	BHQGVQKZWLDCCH-UHFFFAOYSA-N	373.840	4.593	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1cccc(C(F)(F)F)n1	754247000	LQQHGXOHLNTESR-QWHCGFSZSA-N	363.383	4.533	50	20	FJGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)c1ncc(-c2ccccc2)o1	766749762	PDTWNYMHHSFKHS-SMDDNHRTSA-N	366.255	4.755	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2cc(Cl)c3c(c2)OCCCO3)ccc1[N+](=O)[O-]	774558705	MWIBHRAJUIBVQX-NVNXTCNLSA-N	370.792	4.782	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@](C)(C#N)C(C)C)c(C)n1C1CCCCC1	787835410	VZRFBGOGTSENPB-BHSBJAHRSA-N	366.509	4.572	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3c[nH]c4ccccc34)sc2c1	788689374	NSRYDSSWNLIPTI-WQLSENKSSA-N	359.410	4.576	50	20	FJGD	
COc1cc(NNC(=O)c2coc3ccc(C(C)C)cc23)ccc1Cl	804629983	RQWRNSRLXAMFER-UHFFFAOYSA-N	358.825	4.975	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Nc3nc(C)cs3)cc2)c1	810046654	SYJIKAXDCWSDNC-UHFFFAOYSA-N	352.463	4.569	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1	812246621	PYSYAEUTTMWFCG-YRNVUSSQSA-N	353.141	4.927	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)Nc1ccccc1Cl	814188311	YTDSUBJDAMSMME-KFGDLTOCSA-N	366.848	4.978	50	20	FJGD	
Cc1cc(OCc2ccc(C(=O)NN=C3CC4(CC4)C3)cc2)ccc1Cl	814703426	LCBTVGSZFWRDMB-UHFFFAOYSA-N	368.864	4.887	50	20	FJGD	
CC(C)[C@](C)(CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190713	RWTJROXCCVJPKN-ZDUSSCGKSA-N	361.380	4.839	50	20	FJGD	
C[C@H](c1nnc(-c2cccs2)o1)N(C)CCO[Si](C)(C)C(C)(C)C	844345005	AIHPFVGIAKXQQN-CYBMUJFWSA-N	367.591	4.813	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)c1c[nH]c2ccccc12	917531827	FTOIYOISLCQFLC-UHFFFAOYSA-N	363.417	4.799	50	20	FJGD	
COc1cc(Cl)ccc1-c1nnc([C@H](Br)C(C)(C)C)o1	1327932486	MNSYLLKQRNTPKD-NSHDSACASA-N	359.651	4.881	50	20	FJGD	
CC(C)(C)c1ccc(C2(C(=O)N3CC=C(C#N)CC3)CCCCC2)cc1	1630799116	NVPWBHBKFFEALP-UHFFFAOYSA-N	350.506	4.868	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC)cc2)cc1Cl	6428173	ZQCHKDMLQUMMBR-UKTHLTGXSA-N	358.850	4.616	50	20	FJGD	
N#Cc1ccc(CCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	12510053	OQLMLNISGURTKQ-UHFFFAOYSA-N	368.651	4.594	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1OC(F)F	48417634	RIJMZBBFZZHAQH-RIYZIHGNSA-N	369.323	4.833	50	20	FJGD	
Cc1cc(Br)ccc1C(=O)NNc1ccccc1C(F)(F)F	51314678	GLMCBTTWMZDZBR-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CN(CCCOc1ccccc1)C(=O)CCCC[C@@H]1CCSS1	106148249	CLURPOVCOIHFGM-QGZVFWFLSA-N	353.553	4.628	50	20	FJGD	
Cc1c(C(=O)NNc2cccc3cnccc23)oc2ccc(Cl)cc12	178511947	PHKHKLUYAJWKIA-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
C=CC[C@@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	187056792	NYBYCQDNLVXFMW-SECBINFHSA-N	351.362	4.587	50	20	FJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1	195620443	UBGJUSWIQYYVPU-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(Cl)cc3F)nc(O)c2c1C	588542687	LASAZIGYEOTLRE-VZUCSPMQSA-N	359.813	4.870	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3c2ccn3C)c1C	726877800	UROHAZMHXVFQFJ-QGOAFFKASA-N	360.461	4.552	50	20	FJGD	
CC[C@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	729515157	VYALRVHHZNPYTL-CQSZACIVSA-N	353.853	4.915	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1	734304595	PGBJOKDEWIZPHR-PDGQHHTCSA-N	360.388	4.618	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccc(OCC2CCCCC2)cc1	735693961	AJOYXWRZMHFSBL-UHFFFAOYSA-N	360.404	4.681	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Cl)ccc1OC(F)F	748573539	BYLLPIDJIXOHHN-UHFFFAOYSA-N	366.795	4.577	50	20	FJGD	
CN1CCc2cc(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)ccc21	751525165	SZAJIJYQTNWIMZ-UVTDQMKNSA-N	357.240	4.776	50	20	FJGD	
CC(C)(C)Oc1ccncc1NC(=O)CCCC[C@H]1CCSS1	752456033	PWWXEFPTOZJGFN-ZDUSSCGKSA-N	354.541	4.912	50	20	FJGD	
O=C(NN=Cc1sc(Cl)nc1Cl)c1c(Cl)cccc1Cl	755697994	MAGMAKKELUIJRY-UHFFFAOYSA-N	369.060	4.521	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1	763103426	WLXXUQNNLVXXBA-RUDMXATFSA-N	353.230	4.609	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1csc(-c2ccccc2)n1	791731538	CQCOBGYFWOFNSG-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)oc12	794883916	DYFBQOAKWHJAIF-SFQUDFHCSA-N	354.365	4.779	50	20	FJGD	
O=C(Cn1cc(Cl)cn1)Nc1cccc(S(F)(F)(F)(F)F)c1	807250647	ISKRYYHMULYKLD-UHFFFAOYSA-N	361.723	4.833	50	20	FJGD	
O=C(NNc1ccccc1F)c1sc2ccccc2c1Br	810680010	AXUFPPVFZFSFHV-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(C3CCCC3)cc2)cc1	812242588	XROYEXDNZANAGE-ZHZULCJRSA-N	373.456	4.848	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CSc2ccccc21	833093259	IEPJTIQSTWMWNU-ZIAGYGMSSA-N	353.578	4.706	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1	917621519	VBBPKIQQHBVAOD-WJDWOHSUSA-N	361.420	4.943	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(F)c2)cc1Cl	921259296	MJJNCTYPWNPCDF-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(F)c2)n1	921262329	UMTUHTUUGHHFAT-WDZFZDKYSA-N	363.845	4.779	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc(-c3ccsc3)n2)c1	66405883	FZKRUXASBQRQQC-ZSOIEALJSA-N	351.456	4.726	50	20	FJGD	
COc1ccc2c(c1)c(C(=O)NNc1ccccc1)c(C)n2C1CCCC1	175177476	SLRUTLDOKFAUBJ-UHFFFAOYSA-N	363.461	4.830	50	20	FJGD	
C[C@@H](CSc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F	731956360	WRBOGVBPNSDFDZ-LBPRGKRZSA-N	354.397	4.577	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1OC	732715870	AWCICCWVTGCOKS-OKSBFYSISA-N	370.493	4.571	50	20	FJGD	
CC[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1	734977305	MWRROYXQQLMGRS-MRXNPFEDSA-N	372.472	4.983	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)ccc1OC(F)F	735616733	IGGHSXGVOWKIRC-MDWZMJQESA-N	355.344	4.546	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)CCC(=O)c2cc(Cl)sc2Cl)c1	748420545	RADMIBZMJLHPQE-UHFFFAOYSA-N	371.289	4.778	50	20	FJGD	
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NNc1ccccc1F	754087797	UDHCQYAWVMMQIJ-UHFFFAOYSA-N	369.223	4.629	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)c1ccc([N+](=O)[O-])cc1Br	765613873	OMWDWXMZDNIXDI-CLTKARDFSA-N	370.615	4.531	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	767405830	VGSGUQIUSSKXGI-HTQZYQBOSA-N	373.177	4.944	50	20	FJGD	
N#CC1=CCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1	772489136	UTFRZEHVABUXBW-UHFFFAOYSA-N	372.852	4.926	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(-n3cnc4ccccc43)cc2)ncn1	773177692	XBYUQYJCAADRNU-YBEGLDIGSA-N	369.453	4.602	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1	788928222	CAMMQAPTMTUXMF-ZDUSSCGKSA-N	371.362	4.773	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cncc(-c2ccccc2)c1	791713848	NOWNAXWESSGPEE-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
O=C(CCc1ncccn1)Nc1cccc(S(F)(F)(F)(F)F)c1	812544622	VAJIRLSGWOOHJV-UHFFFAOYSA-N	353.316	4.705	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2N(C)C)c1C	914725270	SPRWRARFICAKNQ-RGEXLXHISA-N	364.493	4.517	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1c(Cl)cccc1Cl	916273394	AUTWCSVBHNYGDL-UHFFFAOYSA-N	373.692	4.889	50	20	FJGD	
Cc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)s1	916295137	MIUMXBVSMVEWPN-UHFFFAOYSA-N	368.433	4.539	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	1776384157	REXJXQKSQLHMJE-SXGWCWSVSA-N	370.412	4.861	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1	48417620	JNFULINYJPETSS-QGOAFFKASA-N	355.397	4.573	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3csc(-c4ccccn4)n3)c[nH]c2c1	63413078	CDGHFFMXJZTLNI-ZROIWOOFSA-N	370.437	4.785	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccccc2)nc1	153678256	DHQNIFABCWYBAG-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC[C@@H](C)C3)cc12	254799498	XJORKODZVQSSQR-CYBMUJFWSA-N	366.490	4.691	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccc(Nc2ccccc2)c1	735686718	YTRRFMPSAIVOBR-UHFFFAOYSA-N	357.335	4.604	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1C	743776866	IYYAAMUENQJVJW-RIWZNOJBSA-N	374.488	4.561	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3coc(-c4ccccc4)n3)n2)cc1	749891522	MHTBCOMAENDUEN-GZTJUZNOSA-N	354.369	4.764	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1Cc2ccccc2C1	762972897	ZQSUFJSKDIVLAF-UHFFFAOYSA-N	350.487	4.738	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(-n3cnc4ccccc43)cc2)ncn1	773177681	XBYUQYJCAADRNU-MHWRWJLKSA-N	369.453	4.602	50	20	FJGD	
Cc1ccc(SCc2cccc(C(=O)NNc3ccccn3)c2)c(C)c1	777472431	IYZMRKVOULLDTD-UHFFFAOYSA-N	363.486	4.748	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccsc1Cl	790143368	GWHZSWHANQCEEI-UHFFFAOYSA-N	370.861	4.598	50	20	FJGD	
COc1cc(NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1Cl	790174347	HRUOSOITCHCHGH-SNVBAGLBSA-N	371.289	4.626	50	20	FJGD	
Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc(CCl)c2)S1	799889755	RZEQYGMQCCOVRC-YBEGLDIGSA-N	356.878	4.934	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)c1cc(C(F)(F)F)ccn1	812247101	ZCLXDQNOCGZWMB-YHYXMXQVSA-N	351.690	4.829	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1	816704571	XXAZLXHQCOSCIT-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
C[C@]1(CCNC(=O)CCCC[C@H]2CCSS2)CC1(Cl)Cl	836914473	JEZWHEAMOIQZFZ-AAEUAGOBSA-N	356.384	4.791	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	916650411	MMPVCAIPRZADLW-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	917145564	PYKPNNKDKRHAKU-ZROIWOOFSA-N	350.805	4.928	50	20	FJGD	
CCN(CC)Cc1csc(NC(=O)CCCC[C@H]2CCSS2)n1	919756205	HOXAKRDFGVZEDM-AWEZNQCLSA-N	373.613	4.638	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)ccc1OC	50234396	YYKPFIIPLOMJNV-YVLHZVERSA-N	361.397	4.768	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)s1	124688640	OBNNQRIVJDXDSI-UHFFFAOYSA-N	372.412	4.744	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	155558969	PYKCBIOEQRMFTE-UHFFFAOYSA-N	370.437	4.592	50	20	FJGD	
CC[C@H](C(=O)NNc1cccc2cnccc12)c1cccc(C(F)(F)F)c1	178508317	GHEDCQDUFYALPT-INIZCTEOSA-N	373.378	4.891	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N(CCO)C1CCC1	276019336	JRKSKJAEISGDCG-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCOc2ccccc21	728177077	SQJYDFGCLVIQCA-NSHDSACASA-N	371.651	4.656	50	20	FJGD	
CCC1CCC(=NNC(=O)c2ccc(Br)cc2Cl)CC1	728782992	VHEHMEFMGWYMBT-UHFFFAOYSA-N	357.679	4.789	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)Nc1ccc(F)c(Cl)c1	731835813	RKLQHRHOBCKDHI-JYRVWZFOSA-N	367.767	4.680	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	741473397	HSRMEJIFOZCBLJ-ODUNQGDFSA-N	368.389	4.776	50	20	FJGD	
CC(C)=CCOc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	743299339	MIJMPZABBGJRQO-UHFFFAOYSA-N	364.367	4.807	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1	762002959	KCHIWBUBTYRZBA-SFHVURJKSA-N	372.468	4.781	50	20	FJGD	
Cc1nc(N)nc(C)c1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762757660	BFUHLYHHPFUKAC-UHFFFAOYSA-N	368.331	4.585	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1	799761133	XKBRCBOPKXXRIE-UHFFFAOYSA-N	367.493	4.607	50	20	FJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1noc(-c2ccccc2)n1	811484345	ZSPBENDMMBNAKJ-OAHLLOKOSA-N	371.868	4.595	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	811684974	FVYJIVJAIJEQSK-VZUCSPMQSA-N	364.144	4.874	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@]1(C)CO	822460019	CSPMLASLERUPAT-IINYFYTJSA-N	374.375	4.826	50	20	FJGD	
C[C@]1(CN[C@H](c2cccc(Cl)c2)c2ccccn2)C[C@@H]1Br	851856703	ZKPNMZRMOLVYMM-GVDBMIGSSA-N	365.702	4.588	50	20	FJGD	
COc1ccc([C@@H](NC(=O)CCCC[C@H]2CCSS2)C2CC2)cc1	913497995	LYGFFBZIUKHCOT-HKUYNNGSSA-N	365.564	4.977	50	20	FJGD	
CC(C)C(=O)NN=Cc1c(Cl)cccc1OCc1ccccc1Cl	917542272	RPPPQHDQJNKEBF-UHFFFAOYSA-N	365.260	4.679	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@@H](Oc1ccccc1)c1ccccc1	918014199	NUBFJXOIGGIWFT-IBGZPJMESA-N	352.821	4.603	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1F	921261669	JFXAMPDHTMKDMJ-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
COc1ccccc1C1(NC(=O)CCCC[C@@H]2CCSS2)CCC1	1116075662	PYTMPAIUDNGYIN-OAHLLOKOSA-N	365.564	4.905	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)c1ccc(Cl)cc1F	1323399072	VZYZWMFRFQQMSK-PTNGSMBKSA-N	354.812	4.869	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1csc(-c2cccs2)n1	61195352	MDQOFQNGKDALNB-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
COCc1c(C(=O)NNc2ccccc2Cl)sc2cccc(F)c12	123146763	SXAZJCFQMDCVQV-UHFFFAOYSA-N	364.829	4.597	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccnc2ccccc12	131151388	VUKHWQUSOVHLTB-UHFFFAOYSA-N	357.866	4.757	50	20	FJGD	
O=C(NCC1(CO)CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192255510	BHQUXDPIPYWOAX-UHFFFAOYSA-N	360.348	4.628	50	20	FJGD	
CCOc1ccc(CN(C)C(=O)CCCC[C@H]2CCSS2)cc1	726091246	IFOUGOSEIJQOCZ-KRWDZBQOSA-N	353.553	4.758	50	20	FJGD	
CC(C)CC(=NNC(=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1	726420538	PVIHGOPSGHRPPH-UHFFFAOYSA-N	354.294	4.524	50	20	FJGD	
Cc1cc(SC#N)cc(C)c1NC(=O)[C@](C)(CC(=O)O)C1CCCCC1	726604338	LFSDPBIWMYEHQU-HXUWFJFHSA-N	374.506	4.876	50	20	FJGD	
CC1(C)Cc2cc(/C=C(/C#N)C(=O)c3c[nH]c4cc(F)ccc34)ccc2O1	729149524	JETNMTJKUDTOJP-NVNXTCNLSA-N	360.388	4.810	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(C)c1	743762185	LZARNYYRTFVAAE-DLBZAZTESA-N	373.294	4.621	50	20	FJGD	
Cn1c(C(=O)NNc2ccc(Cl)cc2Cl)c(Cl)c2ccccc21	748008268	RZJPMYZZRICUDC-UHFFFAOYSA-N	368.651	4.895	50	20	FJGD	
CN(N=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)OC(C)(C)C	764683015	PZGVHMLRCFUAIF-UHFFFAOYSA-N	358.413	4.606	50	20	FJGD	
Cc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)oc2ccccc12	767404378	BNJXGYQHIUQDAU-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cccc(Br)c2OC(F)F)n1	776725385	LFZNJCHPOQJSIG-YHYXMXQVSA-N	371.206	4.880	50	20	FJGD	
Cc1cccc(C=NNC(=O)c2cccc3ccccc23)c1OC(F)F	777890072	ZVLSYJOUVGVSPE-UHFFFAOYSA-N	354.356	4.514	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)c1ccc2ncccc2c1	794965558	VTFBLJRESGRDEC-ZROIWOOFSA-N	354.196	4.726	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1cc(Cl)ccc1Cl	810196513	ZGBUPOYGPNIOHT-ZSOIEALJSA-N	371.223	4.858	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811628503	ZBJVBFFUNYDUHN-AWNIVKPZSA-N	361.184	5.000	50	20	FJGD	
CC1(C)NCC[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179712	RABSNPYNSGDNNF-LLVKDONJSA-N	359.364	4.606	50	20	FJGD	
C[C@@H](NNC(=O)c1cc(Cl)ccc1SC1CCCC1)C(F)(F)F	862319264	ZQHXQKZFWVSRJV-SECBINFHSA-N	366.836	4.560	50	20	FJGD	
CN(CCc1cnccn1)Cc1cccc(S(F)(F)(F)(F)F)c1	893435064	ONBNIWCIOHUWCZ-UHFFFAOYSA-N	353.360	4.809	50	20	FJGD	
O=C(Nc1cc(F)cc(F)c1)NN(Cc1ccccc1)c1ccccc1	915334067	DNCGUCKSMSWIBB-UHFFFAOYSA-N	353.372	4.708	50	20	FJGD	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NNc1ccc(F)cc1	917001506	WJPKCKJAIANYER-SECBINFHSA-N	359.253	4.756	50	20	FJGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	918323926	UTCPOJJJFLTGLN-UHFFFAOYSA-N	371.289	4.529	50	20	FJGD	
CCCCN(C)CC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	918703121	NRMQYKOUFOQIDR-SFHVURJKSA-N	372.644	4.671	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)[nH]c12	1322977001	YIDOCQYDHPGYMB-LFIBNONCSA-N	369.380	4.894	50	20	FJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1	1787621664	VVVFTHDJJFGRPB-GOSISDBHSA-N	374.912	4.638	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C(F)(F)F)cc1	6947366	NUNKXGIYGKXOBS-SDNWHVSQSA-N	360.335	4.650	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1)c1ccccc1	8055382	ADDAACDLCQGCKQ-XOAFGZPJSA-N	360.388	4.870	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)c(C)c1	28605503	BVXGFWYQILQTIK-XSFVSMFZSA-N	372.472	4.507	50	20	FJGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)c1ccc(Br)s1	107067191	FEZSUWAXHUXRCJ-UITAMQMPSA-N	365.277	4.634	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1sccc1-c1ccccc1	152959483	QGQHVWPEONYESB-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Br)c1)c1cnc2ccccc2n1	588580645	MMPRDQGOYQTGFV-GHXNOFRVSA-N	354.182	4.596	50	20	FJGD	
N#CCOc1cccc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)c1	727744963	YMVCXQLIJPBZRW-JYRVWZFOSA-N	351.818	4.916	50	20	FJGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)c1ccc2ccccc2c1	732925128	SHROUDCLLICYJY-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cc(C(F)(F)F)ccc1F	733203695	WISNIZOCSAQDQF-UHFFFAOYSA-N	374.337	4.691	50	20	FJGD	
Cc1cc(C)c2cc(C(=O)NNc3ccc(Br)c(C)c3)[nH]c2c1	734254101	PRSUBJAZTJMFQR-UHFFFAOYSA-N	372.266	4.613	50	20	FJGD	
Cc1cncc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	744358698	YWTAZICBPAOFBN-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1	746883724	UIQLODKFSFNDSA-UHFFFAOYSA-N	373.412	4.569	50	20	FJGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1ccc(Cl)cc1F	747643798	PHFKAUOWZUZUHA-UHFFFAOYSA-N	352.796	4.910	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)ccc1OC	749454219	ZHNLGLYVHHKGJM-GZQZNAIASA-N	365.429	4.671	50	20	FJGD	
C=CCCC(CC)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	750917873	NRYAGNHJPJKBRD-UHFFFAOYSA-N	366.490	4.857	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1OCC(F)F	762241529	KDHXJUFGZVOOPN-LBPRGKRZSA-N	361.479	4.983	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cc(C(F)(F)F)ccn1	765339286	JOGKCRPXNAOZPY-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(F)cc1Br	767711881	ABLPHYADKKARKL-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
CCOc1cc(NC(=O)NNc2ccc(Cl)cc2Cl)ccc1OC	769960435	APSWHRFDOQEZCD-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772174880	DZCSWDXIFLHGGU-CHHVJCJISA-N	357.356	4.552	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)o2)c1	779708794	YZRBHRLFVLDIBM-QINSGFPZSA-N	360.369	4.626	50	20	FJGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	790804131	QBVFUDRRYCTNMT-UHFFFAOYSA-N	361.367	4.532	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OCC1CC1)c1nnc2n1CCCCC2	797399160	UWKZFBPKNQEEEO-YBEGLDIGSA-N	368.868	4.511	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21	804347699	ADLBBYZMJMFZMO-YLFCFFPRSA-N	364.327	4.591	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNc1cccc(F)n1	804767792	GJIJIFCIMXTQEY-LUAWRHEFSA-N	373.840	4.759	50	20	FJGD	
CC(C)(NCc1ccc(OCCCCl)cc1)c1ccc([N+](=O)[O-])cc1	811489979	JHMWTVXOJDVQAA-UHFFFAOYSA-N	362.857	4.627	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	812239788	FHFABLYXZIULKR-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
CC(=O)Nc1c(C)ccc(NC(=O)NNc2c(C)cccc2C(C)C)c1C	812925785	FGTKYNMDNKRTIH-UHFFFAOYSA-N	368.481	4.842	50	20	FJGD	
O=C(CCc1ccc2ccccc2n1)NNc1cc(Cl)cc(Cl)c1	813535753	ADDLUSSJKVNORH-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc2cc(C(F)(F)F)ccc2s1	854478924	MAULEPWSCRJYDX-UHFFFAOYSA-N	356.196	4.796	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1-c1ccccc1	917621332	AWFBAIGNMXOPGZ-LDADJPATSA-N	365.429	4.621	50	20	FJGD	
O=C(NN=Cc1ccccc1OCc1ccccc1)c1ccccc1Cl	5176059	ASYJYSNVCGPASQ-UHFFFAOYSA-N	364.832	4.683	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	57398332	WRYZLHCMDZSMMV-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1OC	60790592	DDYSTGQNRBCFAV-SXGWCWSVSA-N	353.443	4.810	50	20	FJGD	
O=C(NNc1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	153307902	QCUHQPLTXKBSAW-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)c1	158927782	NYQZUMXLRLEZBO-UHFFFAOYSA-N	373.884	4.698	50	20	FJGD	
CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186149227	KPNQQRBNNTTZSM-CQSZACIVSA-N	371.375	4.810	50	20	FJGD	
CC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1cccc(Cl)c1	321298941	MCJURVLNBWWFFA-QGZVFWFLSA-N	372.317	4.551	50	20	FJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1nnc(-c2ccccc2)o1	728156276	FHUIQFBVHXMMSZ-HNNXBMFYSA-N	354.454	4.593	50	20	FJGD	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3ccoc3C)c2C)cc1	744859677	XFXUZANQDYHNJI-LDADJPATSA-N	360.413	4.794	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)c1ccc2ccccc2c1	754469512	CKXIDLINRQYFGT-MRXNPFEDSA-N	368.440	4.544	50	20	FJGD	
CC(/C=C(/C#N)C(=O)c1cc(F)cc(F)c1)=C\c1cccc([N+](=O)[O-])c1	773172327	QLYRIOSQPHXXPR-UIVDEPSRSA-N	354.312	4.609	50	20	FJGD	
N#C/C(=C\c1nc2c(s1)CCCC2)C(=O)c1c[nH]c2cc(Cl)ccc12	776267098	WAWGGEWBLIIVFN-YRNVUSSQSA-N	367.861	4.946	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1SC(F)(F)F	777464935	OYGXFEMGVUZXHE-UHFFFAOYSA-N	363.364	4.604	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)cc1	779068506	VDAAHXVYBUSOPG-UHFFFAOYSA-N	374.897	4.846	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2OC(F)(F)F)s1	779210849	OITRNZGIWQJJRQ-UHFFFAOYSA-N	358.385	4.701	50	20	FJGD	
COc1cccc(C2=CCN(C(=O)CCCC[C@H]3CCSS3)C2)c1	779685046	DGAJVEAUAHPCMX-SFHVURJKSA-N	363.548	4.635	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)C3CCCC3)o2)c([N+](=O)[O-])c1	781553900	YZFDSNXJMJNAHF-UVTDQMKNSA-N	366.373	4.530	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1Cl	789126346	DBIVNKQAMGGYRC-DHDCSXOGSA-N	367.861	4.745	50	20	FJGD	
COc1cc(NNC(=O)/C=C(\C)c2cccc(Cl)c2)ccc1Cl	790178862	CXQCLVANKLMJLU-DHZHZOJOSA-N	351.233	4.549	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(-c3ncco3)c2C)cc1	816797619	MIMJVZUONBJVEY-LGMDPLHJSA-N	373.412	4.594	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@H](C)CC	914612278	ZAEBLMYXCWULJY-BNZXWLTMSA-N	373.541	4.647	50	20	FJGD	
O=C(NN=C/C=C\c1ccccc1)c1cc(-c2ccco2)nc2ccccc12	916283648	MBLQBNUOCKTCPV-QLPZYULUSA-N	367.408	4.924	50	20	FJGD	
CN(N=CC1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)OC(C)(C)C	920378439	XEKWIIUHILWCRD-UHFFFAOYSA-N	357.237	4.622	50	20	FJGD	
CCN1CCC[C@@H]1CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	1330758727	CWPDCDPHUNCJCU-GFCCVEGCSA-N	373.391	4.950	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C(=O)O)c2)cc1	1776697763	RGSJJFSNMQJIHF-BGARDKSCSA-N	362.429	4.752	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)ccc1O	7167589	HXRVZKWFLXYENI-BRFSQIRFSA-N	364.445	4.850	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)c3nc4ccccc4[nH]3)cs2)cc1	50575051	KTSYIXZIWIXDDF-UVTDQMKNSA-N	358.426	4.759	50	20	FJGD	
Cc1c(C(=O)NNc2c(Cl)cc(F)cc2Cl)cnn1C1CCCC1	126229468	OXOIDMYXXDEJSQ-UHFFFAOYSA-N	371.243	4.509	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(F)c(F)cc1Cl	132700754	RTJCFNBGWMDBTN-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
CC[C@H](NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1F	160680663	FCGFTICLWFPRMG-HNNXBMFYSA-N	359.203	4.657	50	20	FJGD	
N#C/C(=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)Nc1ccccc1	206738609	ILOHREJZHHJJQV-VGOFMYFVSA-N	371.223	4.858	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1OC	588424522	CBNKKGZXVWQMNR-LCYFTJDESA-N	359.834	4.765	50	20	FJGD	
Cc1ccncc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C	729404537	BFGFQDUTCDDMEF-UDWIEESQSA-N	370.456	4.652	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cnccc3C)c2C)c1	729404717	ODRCPDWLQUVIEY-UDWIEESQSA-N	370.456	4.652	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)c1ccccc1F	732576980	HKAJBWHEMMIJEQ-QINSGFPZSA-N	373.412	4.992	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C(C(C)C)C2CCCCC2)cc1OC	733906712	FLYCJDJPYCYVAZ-UHFFFAOYSA-N	360.498	4.806	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)cc1	742346526	MCHDYPSCNLRCHV-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1ccccc1)CC(F)F	742917768	SSOODRQCVCCGMC-OAHLLOKOSA-N	359.507	4.994	50	20	FJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1ccc(Cl)nc1	743817030	PKXOGNAXZQGRAV-UHFFFAOYSA-N	358.656	4.508	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc(Oc2ccccc2)ccn1	745947721	KLAOYMPZIMBLDA-UHFFFAOYSA-N	364.357	4.618	50	20	FJGD	
COc1ccc(NNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1	746884008	YUHJFAGYYYMIPN-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2ccc(Cl)cc2[nH]1	754154009	QOCKGZXHCCWRAN-UHFFFAOYSA-N	371.721	4.736	50	20	FJGD	
N#C/C(=C\c1sccc1Br)C(=O)c1cccc(Cl)c1	764888871	ZOUONCCCUPDTJM-JXMROGBWSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1CCOC2(CCCCC2)C1	769173430	DJHZAHIYDGPHSQ-ZDUSSCGKSA-N	372.296	4.501	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(C)cccc2F)c(Sc2ccccc2)n1	771688526	DKZPHEGBKCORDO-UHFFFAOYSA-N	367.449	4.746	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2c(Cl)cccc21	775781432	BSODBBDKLFXMSZ-CQSZACIVSA-N	354.759	4.532	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1scnc1C1CC1	782306881	WMNPVOHXGUXVQC-SDQBBNPISA-N	373.865	4.537	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1)c1ccccc1	787145339	PWRCUXHAWYWPPF-AMCKHAKVSA-N	367.452	4.923	50	20	FJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc(OC)cc3)c[nH]c12	787153847	GGGDANJWKSPSNR-BRYHAGSVSA-N	373.456	4.523	50	20	FJGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)cn2c1	789148113	OHXCKESATAXIID-MLPAPPSSSA-N	373.309	4.591	50	20	FJGD	
Cc1sc(CC(=O)NNc2ccc(Cl)cc2Cl)nc1C(C)C	789994462	XDCXZAGKPRABGP-UHFFFAOYSA-N	358.294	4.568	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cn1	812245385	RCWPFXYGUJTZCO-PDGQHHTCSA-N	357.369	4.633	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)ccc1OC	812246254	HKQNNBZAUATYQZ-RIYZIHGNSA-N	362.351	4.710	50	20	FJGD	
Cc1ccc2snc(C(=O)NNc3cc(C(F)(F)F)ccc3F)c2c1	815870528	DNTGSZGBUDGRRU-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC(Cl)Cl	819850451	ZMMJLWRFVKKKSK-LLVKDONJSA-N	356.215	4.536	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)n1	834721909	JCYCFYCVWMKJND-TWGQIWQCSA-N	351.884	4.701	50	20	FJGD	
O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1c[nH]c2ccccc12	916288073	VBJFTWSPIGCYMX-UHFFFAOYSA-N	369.424	4.511	50	20	FJGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc2ccccc2n1	917144737	MPUCIUQCAJDYEX-GDNBJRDFSA-N	367.330	4.800	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)cc1	920498363	NLILRYHJVISOJU-KWWJGWKXSA-N	373.355	4.508	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccccc2F)cc1OC	11333942	RCVQSMHQYPVGBT-MDWZMJQESA-N	359.784	4.676	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(C)nc4sc(C)cn34)c[nH]c2c1	66408295	AKSKUXHNCYSWJJ-AUWJEWJLSA-N	360.442	4.592	50	20	FJGD	
Cc1nn(C)c(C)c1CNc1ccccc1S[C@@H](Cl)C(F)(F)F	92144126	ZRIRBBMKAXQEPL-CQSZACIVSA-N	363.836	4.868	50	20	FJGD	
O=C(NNc1ccccc1)Nc1cccc(CSc2ccccn2)c1	120389817	CUQIZEJLMWDEKW-UHFFFAOYSA-N	350.447	4.523	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3nc(C(F)(F)F)cs3)oc12	152894452	GBRMRPNXQBUOLD-UHFFFAOYSA-N	369.368	4.590	50	20	FJGD	
C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1ccccc1	176126389	QNBAUHLFRYZAQL-LBPRGKRZSA-N	357.866	4.512	50	20	FJGD	
NC(=O)c1ccc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)s1	191946210	TZOUQYAENGVLPF-UHFFFAOYSA-N	372.340	4.757	50	20	FJGD	
COCc1cccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	254966199	DVKGHMXHLKRMHD-GRSHGNNSSA-N	357.438	4.892	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NCc2nnc3n2CCCC3)c1	278775164	UGVINRGXJQFEIT-UHFFFAOYSA-N	354.348	4.884	50	20	FJGD	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)CC(C)C	726120073	JESDTGCELOBAFL-NTEUORMPSA-N	350.256	4.760	50	20	FJGD	
N#C/C(=C/c1csc(-c2cccs2)n1)c1nc(-c2ccccc2)no1	728439119	FGDOZPVTZRSHQT-LCYFTJDESA-N	362.439	4.986	50	20	FJGD	
CC[C@@H]1CCCC(=NNC(=O)c2sc(-c3ccc(OC)cc3)cc2N)C1	734978684	RUSFNBVUTWEVGT-CYBMUJFWSA-N	371.506	4.692	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2c(c1)-c1ccccc1C2	748637846	JTHJPIGPXRBOID-UHFFFAOYSA-N	366.367	4.616	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(F)c(F)cc1Cl	752812172	UXECOCXMWJOTNW-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
CN(Cc1ccon1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752980555	HDZYEWCSBNUJRC-UHFFFAOYSA-N	357.304	4.996	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1nc(C(C)C)n2ccccc12	755626146	KLXYSSSTPBVQNZ-SFQUDFHCSA-N	358.445	4.620	50	20	FJGD	
CC(C)(C)CC(=O)NNC(=O)c1cc(Cl)ccc1SC1CCCC1	758018390	WHCVFULVIBNZJX-UHFFFAOYSA-N	368.930	4.572	50	20	FJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)c1ccc(OC(F)F)cc1	761385066	KFMHGWOZFSDBOU-YRNVUSSQSA-N	374.343	4.827	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(F)(F)F)s2)cc1	761391270	HWFCHUWPAPQMQT-LUAWRHEFSA-N	366.364	4.711	50	20	FJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(CSc2ccccc2)cc1	768505678	SZLYCHXLRYRQBF-UHFFFAOYSA-N	374.469	4.612	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)c1nc(-c2ccc(C#N)cc2)cs1	770572809	KWXCDLNWJAYITH-IUXPMGMMSA-N	356.385	4.757	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	776595398	BRBYWYWNWMHLBG-WOJGMQOQSA-N	352.393	4.509	50	20	FJGD	
COc1cc(NNC(=O)Nc2cccc(SC)c2C)ccc1Cl	788657419	KHBCFWZEZILNFW-UHFFFAOYSA-N	351.859	4.528	50	20	FJGD	
CCc1c(C(=O)NNc2cc(Cl)ccc2Cl)cnn1C1CCCC1	789820506	FFRAGVMRPJIHEO-UHFFFAOYSA-N	367.280	4.624	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)no1	797149900	PRVOOIVGTIKGPL-UVTDQMKNSA-N	357.291	4.699	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(OC2CCCC2)c(OC)c1	799757021	QHEPBIVKRFXJCS-UHFFFAOYSA-N	368.477	4.644	50	20	FJGD	
CC(=O)Nc1ccc(NC(=O)NNc2c(C)cccc2C(C)C)cc1C	812919712	XCRSKISFRFCROU-UHFFFAOYSA-N	354.454	4.534	50	20	FJGD	
C[C@H](CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)N(C)C	822459979	CBMOIVBAVVXUTC-SNVBAGLBSA-N	361.380	4.806	50	20	FJGD	
CNC(=O)CCSCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	845332158	OGOUXVKAZSDXCX-UHFFFAOYSA-N	353.604	4.578	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	857496949	XLSDBUFYRSXTFF-CQSZACIVSA-N	372.538	4.569	50	20	FJGD	
CCCCCC/C(C=NNC(=O)c1sc(N)nc1C)=C/c1ccccc1	874124036	MYKZXULTZOFXOY-IIKBHQFDSA-N	370.522	4.803	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1cc2c(s1)-c1ccccc1CC2	876962990	ZQENEIXCVSBOAZ-UHFFFAOYSA-N	356.397	4.549	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1	916162933	TWPHTDXAFQJSKU-UHFFFAOYSA-N	373.431	4.894	50	20	FJGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1ccc2ccccc2n1	917529316	MBFWFSKGWJZMSP-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
ClCCCOc1ccc(CNc2cccc(CN3CCCC3)c2)cc1	1329934099	MOEZLUNJUDCMOY-UHFFFAOYSA-N	358.913	4.902	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	5712928	IRVWQUOXUMIUKE-SDNWHVSQSA-N	360.335	4.650	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(Oc2ccccc2)CC1	55763446	SXISDQKPBWPGSZ-SFHVURJKSA-N	365.564	4.771	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)S(=O)(=O)c1cc(Cl)ccc1Cl	97553673	QJRPVYCRGUSHFG-WDZFZDKYSA-N	374.195	4.610	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(OC)ccc1OC	175622494	CJRSSUGDQMMQFC-UHFFFAOYSA-N	370.474	4.654	50	20	FJGD	
CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	183572000	NIVGAZXTUZASQG-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)NC1CCCCC1	192798886	AOFBRFBYGOAZHR-UHFFFAOYSA-N	372.359	4.731	50	20	FJGD	
CCc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)s1	731156415	DTJJEAYMJOAFMY-JYRVWZFOSA-N	372.298	4.956	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)cc1	731477980	UYBAJCUMSPPMBV-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC(F)F)C1CCCCC1	732715323	QTXOOYZWCVNYCB-LCYFTJDESA-N	368.811	4.639	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1	741310224	JJZJRFHOEZUACO-BRYHAGSVSA-N	374.396	4.562	50	20	FJGD	
COc1ccc(-c2nc(C(=O)NNc3c(C)cc(C)cc3C)cs2)cc1	743764819	RRERKYHAIZRNJP-UHFFFAOYSA-N	367.474	4.501	50	20	FJGD	
Cc1ccnn1-c1ccccc1NC(=O)CCCC[C@H]1CCSS1	753279458	LKBNXMGMMZDTGO-HNNXBMFYSA-N	361.536	4.833	50	20	FJGD	
CCOc1cc(NC(=O)NNc2c(Cl)cccc2Cl)ccc1OC	775520771	GQPIEMZNXPJAEX-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
N#CC1=CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CC1	780687955	RPKJSFNLWHESBR-UHFFFAOYSA-N	370.783	4.869	50	20	FJGD	
Cc1ccc(-n2nc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2C)cc1	780809575	WGVJXCVCAQKWCO-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@H]1C	781114097	KTMAVGIRKRNUJN-HOTGVXAUSA-N	372.472	4.839	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1F	782301327	BJVQRVOFUCOLLO-NTUHNPAUSA-N	369.421	4.616	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3)c2Cl)s1	789141143	AYTLXRMWLCRGRL-OQLLNIDSSA-N	367.861	4.745	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)c1ccccc1OC(F)F	789148848	STJNUXPCWYHJSW-DHZHZOJOSA-N	372.352	4.794	50	20	FJGD	
COc1cc(NNC(=O)/C(C)=C\c2ccccc2Cl)ccc1Cl	790171121	FGKAHPSBIJOSQQ-LUAWRHEFSA-N	351.233	4.549	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	797618253	COOOMSKZDRGDGU-HOFZKYPUSA-N	372.852	4.739	50	20	FJGD	
N#C/C(=C/c1ccnc(Cl)c1Cl)C(=O)c1c[nH]c2cc(F)ccc12	798231955	MSMAXOCCTJBYKL-YHYXMXQVSA-N	360.175	4.799	50	20	FJGD	
CSSCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1	807225561	BOTCAZIFDPBFSF-UHFFFAOYSA-N	364.511	4.549	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C)n(-c2ccc(F)cc2)n1	812767564	JXLIXEPFSISEBT-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
CC[C@@H](NC(=O)NNc1cccc(Cl)c1Cl)c1nc(C)cs1	838317646	VXZOHYNHTCAETP-SNVBAGLBSA-N	359.282	4.536	50	20	FJGD	
Cc1noc(C)c1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	878640872	MYCOJIOVQAHXNF-CYBMUJFWSA-N	364.776	4.763	50	20	FJGD	
COC(=O)NC1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC1	895479833	MXTZTTPBQDEDHM-UHFFFAOYSA-N	374.375	4.664	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)C(C)C	915990968	UGEIGDNBMFKBBJ-AQTBWJFISA-N	355.441	4.980	50	20	FJGD	
COc1ccc(CCC(C)=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	916323551	MHFSTQSNWMUSQJ-UHFFFAOYSA-N	352.478	4.731	50	20	FJGD	
CN(NC(=S)Nc1ccccc1Oc1ccccc1)C(=O)OC(C)(C)C	920074935	BEVGWHILOQKUIC-UHFFFAOYSA-N	373.478	4.547	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(F)c2F)c(C)n1CC(C)C	921291604	SMPVJEWJBGDLHI-SXGWCWSVSA-N	357.404	4.585	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(CC)n2)c1C	923148752	YVYXYDMFEPDAKU-LICLKQGHSA-N	371.506	4.574	50	20	FJGD	
Cc1ccc2cc(/C=C(\C#N)C(=O)N(C)C3CCCCC3)c(Cl)nc2c1	1318426837	GYHYMXPLBZGNAO-SFQUDFHCSA-N	367.880	4.895	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc3cccnc23)c1C	11390866	LHJOEFKRKFHNFX-FYJGNVAPSA-N	373.456	4.714	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)c1	23724024	ONOIMAVGTNRLKC-LICLKQGHSA-N	363.417	4.881	50	20	FJGD	
COc1cccc(CCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	27569261	UHKUUAMDSBRDCZ-UHFFFAOYSA-N	373.667	4.731	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2nc3ccccc3s2)s1	45971912	KGDLBXNTGHPEJX-UHFFFAOYSA-N	369.446	4.921	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)c1nc(-c2ccncc2)cs1	58201849	NGAFBZVSBUYGSG-ZROIWOOFSA-N	373.466	4.788	50	20	FJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2ccc(Cl)cc2)cc1	120270923	TYSAPWSEJSMKGW-UHFFFAOYSA-N	374.868	4.625	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1	120969789	LAYWEVRUUIBEPO-UHFFFAOYSA-N	365.477	4.579	50	20	FJGD	
CCCc1nc(C)c(C(=O)NNc2c(Cl)cc(F)cc2Cl)s1	179441978	BSTXLBQWEJKAEQ-UHFFFAOYSA-N	362.257	4.607	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1Cc1ccccc1	188100545	CJCSOCBMFYPIHZ-HMMYKYKNSA-N	354.409	4.529	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	205666187	ZIZAUGCQVQYKRO-YVLHZVERSA-N	363.417	4.881	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1	209260003	REQLZLGISGBIJV-XCVCLJGOSA-N	364.257	4.873	50	20	FJGD	
CC[C@H](C(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	729276582	HKSRUFAVHMCIJB-ZDUSSCGKSA-N	367.674	4.739	50	20	FJGD	
COc1ccc(C(=O)NN=C(CC(C)C)CC(C)C)cc1Br	731934848	LQTFLVODGVKJGP-UHFFFAOYSA-N	369.303	4.636	50	20	FJGD	
CCCCCOc1ccc([C@H](C)NC(=O)NNc2ccccc2)cc1OC	734268127	JBTUIXPFPSCYDW-INIZCTEOSA-N	371.481	4.652	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)c3nc4c(C)ccnc4[nH]3)s2)cc1	741469962	PEWZMLRYIJJJIM-OQLLNIDSSA-N	357.442	4.762	50	20	FJGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccccc1C(F)(F)F	742516671	GOKPDGZCBQNFDS-GFCCVEGCSA-N	354.347	4.557	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CCSc2ccccc21	748017768	RLIBODKJCFUXIV-LBPRGKRZSA-N	353.274	4.716	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(COc2ccc(Cl)cc2)cc1	748056991	HKKPXTRSBSVICK-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	764412096	PLZXMWTXGRWYTR-CLFYSBASSA-N	353.230	4.609	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccccc1NCc1ccccc1	765008089	CSXAIHDCLATVRL-UHFFFAOYSA-N	368.440	4.604	50	20	FJGD	
CCn1ncc2ccc(NC(=O)NNc3ccc(Cl)cc3Cl)cc21	769984997	BEMGTHBUUURCMH-UHFFFAOYSA-N	364.236	4.512	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCc3ncccc32)c(C)n1C1CCCCC1	770318830	TYAQBCYKLBIZJQ-XMHGGMMESA-N	374.488	4.501	50	20	FJGD	
C[C@@H](CBr)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1	770668513	NXRGCNMOSXOABR-SUMWQHHRSA-N	367.718	4.639	50	20	FJGD	
CCCC(CC)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	776184014	WLRCFNPTEPSKIH-UHFFFAOYSA-N	370.522	4.682	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncccc2Cl)c(C)n1CCC(C)C	778058338	MAMFEFNHWHZEAW-GZTJUZNOSA-N	370.884	4.745	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](COc2ccccc2)C1	780023251	LRLJBBSILKDPIW-FUHWJXTLSA-N	365.564	4.628	50	20	FJGD	
O=C(NNc1cccc(F)c1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	780948149	GMZZSSRAUJUWOK-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(SC(F)F)cc2)c1	786056092	LUICCKUYWAISGU-MHWRWJLKSA-N	358.413	4.533	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1C[C@H]1c1c(F)cccc1F	798010408	LBRZEHGVQSGGEP-YWPYICTPSA-N	357.491	4.651	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccc(Cl)s3)s2)cn1	800791942	YCUSOVAVEZDWFU-POHAHGRESA-N	359.863	4.653	50	20	FJGD	
Cc1ccnc2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc12	806358337	QMQCZQNGAUFTTO-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
COc1ccc2cc(NC(=O)NNc3ccc4ccccc4n3)ccc2c1	806617800	WMGLSXCFGGNMKJ-UHFFFAOYSA-N	358.401	4.545	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)c1nc(-c2ccccc2)no1	814187582	NDVUFPJTEPVAKN-UVBZOIGOSA-N	357.413	4.893	50	20	FJGD	
Cn1c(SCCO[Si](C)(C)C(C)(C)C)nnc1-c1ccccc1F	821064133	PTDFJWQUXTVTMY-UHFFFAOYSA-N	367.566	4.735	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2cc(F)cc(Cl)c2)c1C1CC1	822250867	AQUMVUBVBXFAIM-JTQLQIEISA-N	365.840	4.673	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@H]1N	841190452	PBNPOWMNWKDCAS-BXKDBHETSA-N	359.364	4.545	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CNCC2CC3(C2)OCCO3)c1	922797822	BUZCZVNTKGABKR-UHFFFAOYSA-N	359.360	4.587	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(Br)c(C)c1	1319719537	UGPIYCAINBBNQQ-UHFFFAOYSA-N	373.250	4.823	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)O)cc2)o1	1777433706	WTQKPANNHHJHMG-ATVHPVEESA-N	357.365	4.743	50	20	FJGD	
C[C@H](OCC1CC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	64783679	RSNGDRDBEHCLTB-LKFCYVNXSA-N	367.820	4.660	50	20	FJGD	
CC1(C)Cc2cc(/C=C(/C#N)c3nc(-c4ccncc4)cs3)ccc2O1	103717587	IBRNLDAXEJJZDF-YVLHZVERSA-N	359.454	4.983	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c(-c2cccs2)n1	180256388	POWSIWPSHQDIHU-NTEUORMPSA-N	359.410	4.685	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F	214126070	MRSMRKUZJXPDMO-YRNVUSSQSA-N	366.726	4.610	50	20	FJGD	
COCCc1nc(CNc2cccc(S(F)(F)(F)(F)F)c2)no1	290672127	RGQZQOWMBCGVHX-UHFFFAOYSA-N	359.320	4.528	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1cccc(C(F)(F)F)c1	728717114	SRLVBKLINONBMF-UHFFFAOYSA-N	373.378	4.776	50	20	FJGD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)CCCC[C@H]2CCSS2)C1	732134845	AWRNGYKKJCQEMN-SJORKVTESA-N	372.644	4.717	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccc(Oc2ccc(F)cc2)cc1	735697718	BFCCRRZHZUHGRC-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1OCC(F)(F)F	750902823	YFGXDGPVWXXBSQ-NTUHNPAUSA-N	355.356	4.549	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1	755405214	YIZQDICNGZPQOX-FOWTUZBSSA-N	374.371	4.869	50	20	FJGD	
N#C/C(=C/c1cc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1	758421995	KTQKVBMLPZDPTH-YBEGLDIGSA-N	359.859	4.893	50	20	FJGD	
CCC[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762640280	IUVCKWWDVOLSKV-JTQLQIEISA-N	374.375	4.930	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccnc1	766489426	DZQYVJGWHZWXEM-YDDPGSGASA-N	364.445	4.581	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cncs2)c(C)n1-c1ccc(Cl)cc1	767718177	MCWCDKJPAQDVKH-ZSOIEALJSA-N	367.861	4.994	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)c1cc(F)cc(F)c1	772176181	MNLFVRYGMZRNPL-XGICHPGQSA-N	353.246	4.653	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	773147075	ZITWMRWPWNFNLZ-IZZDOVSWSA-N	366.223	4.779	50	20	FJGD	
Cc1cccc([C@@H]2CCCN2C(=O)[C@H](Br)C(C)(C)C)c1C	781093378	HMKVDEMJZDZQHU-HOTGVXAUSA-N	352.316	4.777	50	20	FJGD	
CC(=O)c1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1C	789867999	MAUCKLDWUTZBOY-UHFFFAOYSA-N	371.651	4.915	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cscc3Br)n2)cc1	794686070	LCWVKIGDRYKODU-SDQBBNPISA-N	372.247	4.933	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2Oc2ccncc2)cc1	801186507	LKRQEQUSCXEVCS-UHFFFAOYSA-N	361.445	4.928	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3ccc(C#N)c(Cl)c3)c2c1	804555856	OYJIFAKVMOBDGJ-UHFFFAOYSA-N	353.809	4.838	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c(Cl)c1OC	809145914	JKVMCOHLXBTAAK-MHWRWJLKSA-N	355.821	4.764	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCNC1(Cc2cccc(F)c2)CCOCC1	815152570	QYIDHFFCGKWDFA-UHFFFAOYSA-N	367.581	4.529	50	20	FJGD	
O=C(NNc1cccc(Cl)c1Cl)c1scnc1C1CCCC1	838347263	RKOUZLCIXFMFBW-UHFFFAOYSA-N	356.278	4.864	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1	912634607	MLOLORIVFPEGAJ-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	920807719	APRACNJWPNIRGT-MHORFTMASA-N	370.628	4.564	50	20	FJGD	
O=C(NCc1cc2ccccc2s1)NNc1ccccc1C(F)(F)F	920812326	WJJAUPSTCBXNGJ-UHFFFAOYSA-N	365.380	4.746	50	20	FJGD	
CN(C)c1ncccc1/C=C(/C#N)c1nc2cc(C(F)(F)F)ccc2s1	1322818842	GWONDEKZEHPDMF-WQLSENKSSA-N	374.391	4.840	50	20	FJGD	
Cc1nn(CCCl)c(C)c1-c1nnc(Cc2ccc3ccccc3c2)o1	1325783074	KPCXTOKCEZVSEW-UHFFFAOYSA-N	366.852	4.533	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc3cc(OC)ccc3c2)cc1	28911779	LRZXTDMSPWDMBA-CPNJWEJPSA-N	372.424	4.793	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	172692797	FKKPBAFRYBMMRE-ACLQVGRQSA-N	355.419	4.631	50	20	FJGD	
Cc1ccc(NC(=O)NNC(=O)Nc2cccc3ccccc23)c(Cl)c1	173224436	LDKHGWZARXRFTJ-UHFFFAOYSA-N	368.824	4.660	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1COc2ccccc2C1	175633228	WNUNGZVHUPAALN-QGZVFWFLSA-N	366.486	4.574	50	20	FJGD	
C[C@H]1OCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	192255817	MVZANUGLLPKJON-NXEZZACHSA-N	360.348	4.985	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1OCc1cccs1	255361334	VUIRNNLEGYBNFB-YBEGLDIGSA-N	355.459	4.858	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2c(s1)CCCC2	725900459	VSRFWLWIZPCXOU-UHFFFAOYSA-N	357.866	4.585	50	20	FJGD	
CC(C)(C(=O)NN=Cc1ccc(-c2cccs2)cc1F)c1ccccc1	731153684	YNAZDFMXCOYRLE-UHFFFAOYSA-N	366.461	4.982	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)c1	731489424	GZOOVOWGYBYSOU-QPEQYQDCSA-N	363.747	4.740	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	741474556	QLVQGFXOXPZPGT-CEXMDJMXSA-N	372.209	4.963	50	20	FJGD	
COc1ccc(CC[C@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1	742412056	XFZCZJPFGOPSLE-MAUKXSAKSA-N	367.580	4.847	50	20	FJGD	
O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1ccc(Cl)nc1	743818245	OVGVOFUENMNXEO-GOSISDBHSA-N	365.864	4.595	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	746703973	QUMSSTBXQFQLDR-HZPDHXFCSA-N	356.347	4.504	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1O	747034444	RTKPCNQTXFCNQK-GZTJUZNOSA-N	372.424	4.709	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	748764153	WQIINDRDCAETHY-CVEARBPZSA-N	372.255	4.788	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)c2ccc3ccccc3n2)cc1OC	750913832	QLKBESZAKNZWKA-GZTJUZNOSA-N	360.413	4.715	50	20	FJGD	
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1C	752981423	SDXARKUCWFQVCU-PWSUYJOCSA-N	373.391	4.948	50	20	FJGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1cc(-c2ccccc2)on1	753923499	IYUKRCYSXHVAAG-UHFFFAOYSA-N	365.820	4.658	50	20	FJGD	
N#C/C=C/CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1	763300152	YHCSBEOAPABKFS-SNAWJCMRSA-N	366.877	4.819	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3ncco3)cc2)c1C	766670995	FTDFMSKRRHZRJS-CPNJWEJPSA-N	374.444	4.716	50	20	FJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1	767905131	LFJPQHJVGBADCA-WXIPYCGVSA-N	369.465	4.551	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)C(=O)c1ccc(Cl)cc1F	773149504	HXZPLUPSPUKLDT-OVCLIPMQSA-N	363.779	4.726	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1ccc(F)c(C(F)(F)F)c1	782180635	PMXXZDFKRITZGH-WEVVVXLNSA-N	370.283	4.604	50	20	FJGD	
CCc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1C(CC)CC	790780570	SXUPWGPJHVFEMN-UHFFFAOYSA-N	369.296	4.870	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	799759581	RTYFIUGCERUGBL-UHFFFAOYSA-N	369.465	4.661	50	20	FJGD	
N#C/C(=C\c1ccc(OCCCCl)cc1)C(=O)c1cc(F)cc(F)c1	811690788	HRWWHWPBJRTWBG-OVCLIPMQSA-N	361.775	4.762	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	814187702	QYAGDFRBZNDZKI-PORSQJMJSA-N	360.457	4.564	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(F)c2)c1C	912661509	QYSXMTFTJRHKEE-DEDYPNTBSA-N	367.468	4.610	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)CCc2cccs2)c1C	914517403	ZIKUWOGQIIMTMF-RGEXLXHISA-N	369.534	4.575	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(C)ccc12	920068895	SYFHMZQYVYMNSE-RIYZIHGNSA-N	350.805	4.928	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1OCC	920991780	OLWYNGJPJUMPBG-MHWRWJLKSA-N	355.821	4.927	50	20	FJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)CC)cc2)CCC1	1791262673	ILYGAQZLPIRFOG-INIZCTEOSA-N	364.917	4.574	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)c1	23739953	DPOZBFCWXHIIFC-CXUHLZMHSA-N	350.374	4.517	50	20	FJGD	
CC(=O)Nc1ccc(C)c(NC(=O)CCCC[C@@H]2CCSS2)c1	43057223	GAZZYFYHXXIPSR-OAHLLOKOSA-N	352.525	4.606	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	98068783	WFMORLXBNLOGJR-POHAHGRESA-N	353.155	4.817	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c1	156559704	XNLCIEKFBYZYOG-UHFFFAOYSA-N	374.412	4.767	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1nc(C(F)(F)F)cs1	179151768	CJDZMNJUIVSVNK-SECBINFHSA-N	371.471	4.919	50	20	FJGD	
C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	183465355	DBJVKIBFJATWCT-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)c1ccc(C)s1	588507196	XBPKCPRTSIEVGD-PDGQHHTCSA-N	360.438	4.917	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(C(F)(F)F)cc2)ccc1Br	734253764	BKUIPCXXAPXBRM-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(OCc4ccncc4)cc3)[nH]c12	735619673	OVPYBWJONJRXLQ-UYRXBGFRSA-N	366.424	4.910	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	741473393	HRXWCUWLECBDIJ-RKPNYOAGSA-N	373.859	4.945	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)Sc1ccccc1	742786024	QTZWHXPIBPOAAX-GOEBONIOSA-N	355.594	4.998	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1ccc(SC(F)F)cc1	748994335	MKIZXZGQCAMZHS-XFFZJAGNSA-N	365.792	4.595	50	20	FJGD	
CC[C@@H]1CCCC1=NNC(=O)c1cccc(NN=C2CCC[C@H]2CC)c1	758363879	YGIXCFMWORYVMD-HZPDHXFCSA-N	354.498	4.961	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(OC(F)(F)F)c1	764324854	VOQJGVMLQFMHIE-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1	764885199	HRPCQYGMLJZBCE-LDADJPATSA-N	359.404	4.727	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc2cccnc12	783707944	ZBBSBNONWCQGPO-SXGWCWSVSA-N	355.372	4.954	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1cn2cc(Cl)ccc2n1	786590639	UXNWMKSDABHZCV-AWEZNQCLSA-N	370.927	4.745	50	20	FJGD	
CC(C)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccc(Cl)cc1F	787509744	BBSWSJVGYALRIM-SZJVNEJHSA-N	372.827	4.605	50	20	FJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)c1cc2ccccc2s1	788359994	GLALEAOSRUIOGU-QPEQYQDCSA-N	363.829	4.992	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](CC(F)(F)F)C1	817630914	WTFLLTNTKXXIRB-OLZOCXBDSA-N	355.491	4.892	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C[C@@H]3[C@H](C2)C3(F)F)cc1	844458227	NJIAUIQTTUGZRK-CALCHBBNSA-N	353.529	4.905	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccoc2)c(C)n1C1CCCCC1	918666024	RZOUIPIQLCJCDS-UDWIEESQSA-N	365.477	4.769	50	20	FJGD	
Cc1nn(C)cc1CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	1116614055	DZVGNAVWZAJTMR-UHFFFAOYSA-N	369.359	4.957	50	20	FJGD	
CC(C)(C)c1ccc(C2(C(=O)NNc3nccc4sccc34)CC2)cc1	1318528678	LAYPHQJFRPLGEY-UHFFFAOYSA-N	365.502	4.769	50	20	FJGD	
O=C(Cc1c[nH]c2ccccc12)NNc1c(Cl)cc(Cl)cc1Cl	14824300	TVSNVDFUXHCQIZ-UHFFFAOYSA-N	368.651	4.814	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1	155109210	IPXVSKYAIMBXHK-FQEVSTJZSA-N	359.454	4.535	50	20	FJGD	
CCC[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193115198	AFEYBZZASYSTLY-SNVBAGLBSA-N	374.375	4.977	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1	303824792	GFCHNNHQXFEKSB-CYVLTUHYSA-N	354.409	4.908	50	20	FJGD	
Cc1ccc2cccc(NS(=O)(=O)c3ccc(CCCCl)cc3)c2n1	727361944	ULQWCZFKARLJAK-UHFFFAOYSA-N	374.893	4.515	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc2ccccc2c2cccnc12	727760072	UUHZTDHYCKXKKQ-UHFFFAOYSA-N	367.330	4.562	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCCC(C)(C)C)c1C	729389131	WVHLKCWFRGHFJC-NNIWKIFQSA-N	373.541	4.552	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCc2nc3cc(Cl)ccc3s2)c1	748362668	QRZAWZIEGWYDJD-UHFFFAOYSA-N	359.882	4.642	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C)nc2Sc2ccccc2)c1	748364516	ANQQFKRPRIAXQY-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	748764156	WQIINDRDCAETHY-JKSUJKDBSA-N	372.255	4.788	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1c(F)cccc1F	753656668	PMPKAOMYXOBNNE-UHFFFAOYSA-N	352.340	4.550	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(F)ccc1Br	761176018	HKCZILQQVJBEMK-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
CC(C)(C)OC1CC(CCNC(=O)NNc2cc(Cl)cc(Cl)c2)C1	764505297	CVFBBBLMNUZENY-UHFFFAOYSA-N	374.312	4.603	50	20	FJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1[N+](=O)[O-]	772176713	OVINTVLVDLUNLD-LHHJGKSTSA-N	356.328	4.786	50	20	FJGD	
CCCc1cccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1	773910080	WAKPUVBHSGNZMG-LDADJPATSA-N	374.469	4.703	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)[C@H](Sc1ccccc1)c1ccccc1	778451519	KRVHWTGAZQJECO-GOSISDBHSA-N	369.877	4.712	50	20	FJGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1ccc(Cl)c(F)c1	779018043	NEWXCYKJNDWEHB-UHFFFAOYSA-N	366.795	4.505	50	20	FJGD	
CC(C)(C#N)CC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	782180460	XTGUPBRYQNMACT-LBPRGKRZSA-N	350.793	4.784	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1coc(-c2cccc(Cl)c2)n1	785348962	LEHMYQFKOKVRIJ-SXGWCWSVSA-N	364.788	4.645	50	20	FJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(F)cc1C	793711105	CQZSFCDXTUVQTQ-UHFFFAOYSA-N	373.815	4.762	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	794873337	QWTJQKVGDSELON-SFQUDFHCSA-N	353.381	4.717	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCC[C@H]2C[C@@H]12	800808437	KQNAPTOUNFMFJR-WCQYABFASA-N	359.882	4.557	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1	817880095	VXEMFDJRCCGWEC-SJORKVTESA-N	365.260	4.639	50	20	FJGD	
CCOc1ccc(NNC(=O)Cc2cc3c(ccc4ccccc43)o2)cc1	817925677	LKZOQMFIEMACPG-UHFFFAOYSA-N	360.413	4.671	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1	844334438	CSVVVRACZWSXFF-QGZVFWFLSA-N	373.573	4.723	50	20	FJGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377613	XPYNUENCYHZOHG-UHFFFAOYSA-N	361.751	4.536	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(OC3CC3)c2F)c(C)c1	849177194	FQQLGBKNGSPUAG-GZTJUZNOSA-N	364.420	4.838	50	20	FJGD	
CCOc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	917526599	WDZOFYNUMMCCMB-UHFFFAOYSA-N	359.640	4.802	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccccc3F)cs2)cc1	17700500	IDUYDRSTVIQORH-GXDHUFHOSA-N	364.401	4.748	50	20	FJGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1	48354351	FBUXARUMVCAVEM-LCYFTJDESA-N	360.196	4.570	50	20	FJGD	
O=C(CCOCc1ccccc1)NNc1c(Cl)cc(Cl)cc1Cl	71999900	HCSZUFKZWDYOOD-UHFFFAOYSA-N	373.667	4.697	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cn(C)nc2-c2ccccc2)c(C)c1	255203339	AIRBXUPXVZLIHV-UNOMPAQXSA-N	370.456	4.558	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1	726118177	JSMIGKPKPKTMDO-RVDMUPIBSA-N	361.367	4.803	50	20	FJGD	
Cc1ccc(C2CC(=NNC(=O)c3ccc(COc4ccccc4)o3)C2)cc1	729817020	STOKSBYWDJTBOX-UHFFFAOYSA-N	374.440	4.830	50	20	FJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccc(OC)c(Br)c1	731935119	STZOKBBINKXMHZ-GFCCVEGCSA-N	367.287	4.534	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)c(C)c1	743763880	VZXHLGALFYMAIM-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
CC[C@@H](CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1	746889662	OOFKAVQSYWVCAP-ZDUSSCGKSA-N	361.367	4.604	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3cccc4cccnc34)c(Cl)nc12	747362062	KUNQXSYDQPMEAH-UHFFFAOYSA-N	374.831	4.509	50	20	FJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccc(F)cc2C)cc1	748563581	SQYJMDVQQSRCJR-UHFFFAOYSA-N	369.465	4.560	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1	748672332	DIOJJIGCYPGMSI-UHFFFAOYSA-N	373.409	4.684	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)oc12	748730091	HWTYGVAMRQXZOD-UHFFFAOYSA-N	373.796	4.677	50	20	FJGD	
C[C@H](CC(=O)c1cccs1)NC(=O)CCCC[C@@H]1CCSS1	765207891	NDKGTEROPLWTMU-CHWSQXEVSA-N	357.566	4.540	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ncccc2Cl)c(C)n1CCC(C)C	778058314	MAMFEFNHWHZEAW-BOPFTXTBSA-N	370.884	4.745	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2Br)c(Cl)c1C	783591088	VUWUKCMISXDTLJ-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccccc1Br)c1c[nH]c2ccccc12	787454942	JGHQEZJCSBHZOE-LBPRGKRZSA-N	372.266	4.567	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(CCC(F)(F)F)cc2)ccc1Cl	790177249	BUEGZAWTMNDQNZ-UHFFFAOYSA-N	372.774	4.600	50	20	FJGD	
CC1(C)CN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC[C@H]1O	792879764	JHQYVFWXFUBQHD-LJQANCHMSA-N	363.618	4.801	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3c(F)ccc(O)c3F)n2)cc1	794937922	NKFGCHIWBQCZIO-WQLSENKSSA-N	370.380	4.867	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)s1	800791648	SIPLBCOBRKZGAC-NTEUORMPSA-N	372.453	4.728	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2NC2CCCCC2)cc1	817921368	UHGYDYJRIWOYDV-UHFFFAOYSA-N	353.466	4.587	50	20	FJGD	
Cc1nnc(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	821953729	BVFRTYDXJCCWCT-UHFFFAOYSA-N	357.304	4.607	50	20	FJGD	
CNCC1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	841190528	QPMXALSTNVFPJD-UHFFFAOYSA-N	373.391	4.807	50	20	FJGD	
Cc1cc(C(=O)NNc2nccnc2C2CCC2)sc1-c1ccccc1	848069985	BCBMQJZJUWJOEM-UHFFFAOYSA-N	364.474	4.538	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccc(OCC3CCCCC3)cc2)c1	857474006	NVNULXWLDUIEGZ-UHFFFAOYSA-N	372.440	4.550	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C(=O)N3CCCC3)cc2)n1	864365878	FIDYDJKPYRMHGX-BOPFTXTBSA-N	351.475	4.567	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccccc2F)c1C	914480719	IHYNJWZAZLRTNH-MCRQTXEHSA-N	367.468	4.781	50	20	FJGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)c1ccccc1F	920360336	OYUZQSOQIVIDND-UHFFFAOYSA-N	352.331	4.583	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1SC	63866882	XWDWNANILSAOIC-YBEGLDIGSA-N	352.459	4.580	50	20	FJGD	
COC(=O)c1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)oc1C	96926584	AJYZMVXGOYMELO-ZSOIEALJSA-N	350.399	4.562	50	20	FJGD	
Cc1ncsc1COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	727771221	FZHSBLGMNQIEFE-GIJQJNRQSA-N	371.506	4.566	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccccc1	731317848	FIKWBCBVLBSLPH-LPYMAVHISA-N	364.404	4.927	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc1F	739424276	HNGNBQRYEFLERJ-SFQUDFHCSA-N	362.408	4.786	50	20	FJGD	
Cn1c(C(=O)NNc2cc(Cl)ccc2Cl)c(Cl)c2ccccc21	748512032	NRBSSPMCLYYRET-UHFFFAOYSA-N	368.651	4.895	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Cl	753887159	DEHGZVARIMSPNF-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	755404441	MMMKMAVBLOUQFY-XCVCLJGOSA-N	353.155	4.817	50	20	FJGD	
C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	768034258	QQGWNIUJYUTSQD-BXUZGUMPSA-N	369.328	4.686	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3c(C)cccc3F)ccc2c1	771706359	BBXVAKRTVVPXNP-AWEZNQCLSA-N	352.409	4.543	50	20	FJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3cccnc3Cl)o2)c1	776488052	LMHIRFXAZZDEOV-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc(Cl)c(OC)c1	790174256	GPBDMVBERIUCPZ-UQTJOTSZSA-N	374.868	4.682	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Br)c(C)c1	794869820	NKEAISQDUMZFDT-LCYFTJDESA-N	373.225	4.751	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)N(C)CC(Cl)Cl)cs2)cc1	808247606	HOUQSXMIIPMKBL-UHFFFAOYSA-N	357.306	4.809	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cn1	812245294	QABZYRJLHGPFQR-WQRHYEAKSA-N	357.369	4.633	50	20	FJGD	
CC(=O)c1cccc(OCCCC(=O)NNc2c(C)cccc2C(C)C)c1	812766927	OOTSLIREPVLSFA-UHFFFAOYSA-N	368.477	4.623	50	20	FJGD	
C[C@](O)(CNCc1cccc(S(F)(F)(F)(F)F)c1)C(F)(F)F	819377289	OKNDCPZGDNOGSG-JTQLQIEISA-N	359.282	4.747	50	20	FJGD	
CCCC[C@@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191190	VYPNHWMOZADTNG-NSHDSACASA-N	361.380	4.983	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCC[C@@H]1CC1(Cl)Cl	846586404	BZJRCIBFOCTQKW-NEPJUHHUSA-N	356.384	4.791	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2F)c1C	857090724	ZJMLVBYYEZVPRY-MOSHPQCFSA-N	367.468	4.610	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)/C(=C\c1ccc(F)cc1)c1cccs1	875906354	HATBCDNEIRPGJE-GDNBJRDFSA-N	374.387	4.849	50	20	FJGD	
N#C/C(=C/c1cccc(C2CCCC2)c1)C(=O)Nc1ccc(C(=O)O)cc1	1776130558	QOAMHPGWDHMQDU-UYRXBGFRSA-N	360.413	4.588	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(/C=C/c2cnc(C(=O)O)cn2)c1	1776270299	ITAUVGWYJBKFHK-MDZDMXLPSA-N	356.498	4.729	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cccnc1Sc1ccccc1	67848761	QJNNOKHKBXFLEI-UHFFFAOYSA-N	355.850	4.643	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(Cl)cc1Cl	128937650	RNLGICBKVUBDDE-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(F)cc1C(F)(F)F	178873779	QHWICGAWKIOSOB-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
C[C@H](O)C[C@@H](C)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181780276	OFZWXJHSAHAGFZ-ZJUUUORDSA-N	362.364	4.873	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC(F)(F)F)c2)c(C)c1	727975592	FYOPZCNQJNQXNS-DHDCSXOGSA-N	360.335	4.748	50	20	FJGD	
O=C(NN=Cc1csc(-c2cccs2)n1)C12CC3CC(CC(C3)C1)C2	728428535	ZVJJZPMRNXWURC-UHFFFAOYSA-N	371.531	4.538	50	20	FJGD	
CC(Cc1cccs1)=NNC(=O)COc1ccccc1-c1ccccc1	729632856	IPJBUWQWEKVZTE-UHFFFAOYSA-N	364.470	4.529	50	20	FJGD	
CCN(Cc1ccc2ccccc2c1)C(=O)c1c(C)nn(CCCl)c1C	733924788	WSQJGNXRALOFJB-UHFFFAOYSA-N	369.896	4.554	50	20	FJGD	
CC/C=C(/C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742006664	USSHGLYAHABUDU-DAXSKMNVSA-N	352.059	4.555	50	20	FJGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1cccc(C(F)(F)F)c1	743300024	XKQBZDDUAUXNNG-GFCCVEGCSA-N	354.347	4.557	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnn(-c3ccccc3)c2)cc1	747087416	SKRZBXMPXDCRHT-VJOZSWGJSA-N	370.456	4.931	50	20	FJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CSc2ccccc2)C1	750052555	CDZHMPMQLCVPAV-OVEPSTSESA-N	365.458	4.573	50	20	FJGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)c2ccc(Br)s2)s1	758417580	IJQGOUIJIGPHJE-WEVVVXLNSA-N	367.293	4.880	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](C)c1ccncc1	759058795	UUYHDVFWKHTJNJ-AWEZNQCLSA-N	353.491	4.912	50	20	FJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)Nc1ccccc1Cl	759116116	LHAOHAYAUAUAKY-JLHYYAGUSA-N	351.768	4.573	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CCCC(C)C)s2)cc1	764676936	VZZAFXNLTKJWCU-UHFFFAOYSA-N	373.522	4.938	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(-c3ccccc3)nn(C)c2Cl)cc1	764922214	XNIICUNPVXYOJW-ATVHPVEESA-N	361.832	4.839	50	20	FJGD	
O=S(=O)(CCC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	766546734	CYOLZSUAIRWTAD-UHFFFAOYSA-N	351.362	4.886	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(-c2ccccc2Cl)on1	770191254	RFVZLIRPTKGXFB-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
Cc1cc(C(=O)NNc2c(F)cccc2Cl)c(C)cc1Br	770197293	LLGDFXVSVAFYAC-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2c(C)cccc2F)cc1	771698960	QJONSMWUGJSRKW-UHFFFAOYSA-N	369.465	4.560	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccccc2)cc1	775257300	HSWCKCWXJGJHBG-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[C@H]1CCCOC1	789147206	GORLMSSWGXIKLB-LPGQDOADSA-N	351.833	4.910	50	20	FJGD	
CO[C@H]1CCOc2c(NC(=O)CCCC[C@@H]3CCSS3)cccc21	790600920	OXRCZBXSSVYOGO-CJNGLKHVSA-N	367.536	4.809	50	20	FJGD	
N#C/C(=C\c1ccnc(Cl)c1Cl)c1nc(-c2ccncc2)cs1	791434876	NZLLPJSFXVNJNY-KPKJPENVSA-N	359.241	4.971	50	20	FJGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)C12CC3CC(CC(C3)C1)C2	794781328	KSTLLDJSAWCMQN-UHFFFAOYSA-N	363.461	4.664	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1ccc2ncccc2c1	794882901	IIKBTQDCGOWPRK-NBVRZTHBSA-N	357.413	4.608	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C\c1csc(-c2ccc(Cl)cc2)n1	797346075	UZIGCFYZPZCJFM-UVTDQMKNSA-N	359.882	4.677	50	20	FJGD	
Cc1cc(C(=O)NNc2ncccc2F)c(C)n1-c1cccc(C(C)C)c1	804215038	AFZQWOKAESWHQM-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(Oc2cccnc2)cc1	808895519	NEPHLYHRUTYPIF-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12	811627753	GJLSMJSYIBRNSD-QDEBKDIKSA-N	374.293	4.821	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@@H]2C[C@@H]2C1	854264966	FMJZVRBOOMYHCP-BREBYQMCSA-N	364.820	4.780	50	20	FJGD	
CC(C)CCOc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1	1115838528	LSQZJHAQAYPEEB-GHRIWEEISA-N	358.445	4.701	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3cccc4ncccc34)o2)cc1	1261427615	GDPXLXBVEPCPPK-DTQAZKPQSA-N	368.396	4.748	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1O	6411007	RURTVRKRQUAERP-VIZOYTHASA-N	370.836	4.525	50	20	FJGD	
Cc1cccc(NNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1	67979452	BLMZEPVWSWJMAB-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]c2ccccc12	207895906	LNIFLNYEMHJTME-JXAWBTAJSA-N	355.441	4.948	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccco3)o2)cc1	212652324	XVLXABZXAQIYJD-VBKFSLOCSA-N	361.353	4.506	50	20	FJGD	
O=C(NN=Cc1ccc[nH]1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	254792892	JOQSPBHDPMUPDB-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1	255598682	SSVRRVYNHBFNER-CPNJWEJPSA-N	357.369	4.633	50	20	FJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	303356041	ZKZLPAVUEZUVMF-WJDWOHSUSA-N	354.837	4.920	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCc2cccs2)c1C	742848860	RMMJFZDIZFMDMN-XMHGGMMESA-N	369.534	4.575	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NNc1ccc(C(F)(F)F)cc1	747591265	QESHIIRLOWQXPA-ZDUSSCGKSA-N	364.458	4.863	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1ccc(Cl)cc1Cl	748994239	KTMOQBDRJLEYRX-BJMVGYQFSA-N	352.608	4.587	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(Cl)cc3)c(F)c2)cc1	749274498	SADSKUZZYGYGMM-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1C(F)(F)F	751454337	BJVHWOVLZLKUKI-XTCQQWIJSA-N	362.326	4.629	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC3(CCOCC3)CC2)cc1	751523558	XGNNEKDSMUCKMZ-UHFFFAOYSA-N	372.509	4.568	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]1c1cccc(F)c1F	752813052	OYOFBEARESDDPD-WDEREUQCSA-N	357.187	4.518	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1cccc(Cl)c1Cl	767718623	VYJKCCZERLHARZ-WTKPLQERSA-N	371.145	4.956	50	20	FJGD	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H](Br)C(C)(C)C)C1	768192129	LDCPOTUBKPXEBY-BYCMXARLSA-N	356.279	4.545	50	20	FJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1N[C@H]1CCN2CCC[C@H]2C1	777622834	ZDSNBDGCGNKBBJ-SLEUVZQESA-N	364.864	4.945	50	20	FJGD	
COc1ccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	780536652	SCPNMQZOGKZJRW-AWEZNQCLSA-N	362.804	4.922	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2cn(C)nc2C2CCCCC2)ccc1[N+](=O)[O-]	783712234	DTDMNLDIKQAFAC-GZTJUZNOSA-N	350.422	4.749	50	20	FJGD	
C/C(C=NNC(=O)c1ccc2ccccc2c1)=C\c1cccc([N+](=O)[O-])c1	787152954	GXLLFGSJIVGYRZ-QQMDVXRESA-N	359.385	4.567	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc2occc2c1	794691236	ZTXAFIWKAACBGU-OQLLNIDSSA-N	366.804	4.949	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)c1ccc2ncccc2c1	794884139	GRYAQKMOLPQKDY-MHWRWJLKSA-N	350.324	4.626	50	20	FJGD	
Cn1c(/C(C#N)=C\c2c(F)ccc(Br)c2F)nc2ccccc21	799888970	KCJSSFBLWUAZTO-NTMALXAHSA-N	374.188	4.678	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	801176821	UFCCGIXUZLTANL-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)sc2cc(F)ccc12	806988615	XRNPQJMAJYECTB-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1csc(-c2ccccc2)n1	812767991	ZTFHREIPFDQOLF-UHFFFAOYSA-N	365.502	4.928	50	20	FJGD	
Cn1ncc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)c1Cl	815129675	VPHIMDZFOUGHFR-LBPRGKRZSA-N	370.227	4.905	50	20	FJGD	
CCC(CC)(CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190457	PDXVIOICCIWEMQ-UHFFFAOYSA-N	361.380	4.983	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1	861572064	NACKWSVNWZHQSF-UHFFFAOYSA-N	364.832	4.636	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1OC(F)F	917144777	OCQVWGKAYZKEJH-GDNBJRDFSA-N	352.340	4.909	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1	921138493	OHJIUNUROFZYMT-QLKAYGNNSA-N	362.212	4.800	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(Br)ccc1F	7157899	BKNHTYWNDGNPPI-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(-c2cccnc2)n1	63277796	RJCGOVAMMGEIBJ-YVLHZVERSA-N	369.453	4.670	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCCC2)ccc1OCC(F)(F)F	128861962	RQBPGUDDNOATSN-DHDCSXOGSA-N	367.367	4.693	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)c1ccc(F)cc1	186859259	IQJIXLWJVDSVPW-CPNJWEJPSA-N	358.372	4.686	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1F	195502107	JKDORRYMWDTRMI-DHZHZOJOSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc(Cl)cc1F	255232370	WJADSUJEGBSDKR-XFFZJAGNSA-N	369.758	4.798	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1O	274065044	QSXRURXJSVEWGB-JOYOIKCWSA-N	360.348	4.579	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(Cl)ccc3[N+](=O)[O-])c[nH]c2c1	739427082	ZVWIXRHLRRQRRP-NTUHNPAUSA-N	365.776	4.828	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1ccccc1)CC(F)F	742917767	SSOODRQCVCCGMC-HNNXBMFYSA-N	359.507	4.994	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)oc2c(F)cccc12	747609165	MTHIHMYNZRHCNU-UHFFFAOYSA-N	352.287	4.656	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H]1CCSC1	762271101	ZXSWKKZSGRJGGA-UFBFGSQYSA-N	355.834	4.598	50	20	FJGD	
C[C@@H]1C[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1C	762979415	IZQUEKAIWDZVAY-PWSUYJOCSA-N	373.391	4.948	50	20	FJGD	
C=CCN(Cc1ccc(Cl)s1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	763763459	JEFUUQURSLDXMT-LZYBPNLTSA-N	359.838	4.862	50	20	FJGD	
COc1ccc([C@@H](NC[C@H](C)CBr)c2ccc(F)cc2)cc1	770666412	KPNXEOPBTNZTFD-ACJLOTCBSA-N	366.274	4.544	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ncoc2-c2ccc(F)cc2)cc1	771450860	LZHITHIXEYOYOU-UHFFFAOYSA-N	353.397	4.535	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2c1OCCO2	771520783	NBAFEUMGCYAHSC-XYOKQWHBSA-N	360.196	4.554	50	20	FJGD	
CC[C@H](C)n1nc(NC(=O)NNc2c(Cl)cccc2Cl)cc1C	775714834	OKCYPRVMSZFDQQ-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C(C)C	780802552	PNICQCPGSFPYLV-UHFFFAOYSA-N	355.482	4.704	50	20	FJGD	
C[C@H](NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CCC1	782987463	LJIOHGZENZLTJI-VIFPVBQESA-N	365.389	4.811	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1Br)c1cnc2ccccc2n1	790228707	XXYRRBKRYYAMKW-KPKJPENVSA-N	354.182	4.596	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCC[C@H]2CCCCC2=O)c1C	813960230	LWTXCBACSIOLSF-SQVRNEIYSA-N	370.493	4.505	50	20	FJGD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)NNc1ccc(C(C)C)cc1	837054643	VHTJAAVDQDVWFB-UHFFFAOYSA-N	372.538	4.685	50	20	FJGD	
COCc1nc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)cs1	844346339	MGEYBCZFOJYVNG-UHFFFAOYSA-N	370.635	4.523	50	20	FJGD	
C[C@@]1(CNC(=O)c2c(Cl)cc(Cl)cc2Cl)C[C@@H]1Br	857686633	BRIXLTUGLBHOKS-CABZTGNLSA-N	371.489	4.550	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c2ccccc12	915985237	KKRGCILMSPKFJZ-GHRIWEEISA-N	353.381	4.963	50	20	FJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1c(F)cccc1F	1318639765	UHDJTMDAPZQMBM-UHFFFAOYSA-N	366.367	4.736	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)cs1	7065147	PQZABCVPOSKFJD-XMHGGMMESA-N	373.481	4.711	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1Cl)c1nnc2n1CCCCC2	152139130	AVGFHQYABYKPHM-WQLSENKSSA-N	366.774	4.741	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Oc1cccnc1	171981166	CNCDHJLDLOBHRA-SFQUDFHCSA-N	373.387	4.867	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1ccc(Cl)cc1F	179608028	NBOHRIRBBXMXAG-YRNVUSSQSA-N	369.808	4.787	50	20	FJGD	
O=C1CC[C@@H]2CN(C(=O)CCCC[C@H]3CCSS3)c3cccc1c32	183830495	GBEJHDANJZSUFY-KGLIPLIRSA-N	361.532	4.807	50	20	FJGD	
CC1(C)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	184419524	VHJRRFDAUUHRTI-UHFFFAOYSA-N	360.348	4.987	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1F	727655412	WJZNAPCNHLULIZ-WLRTZDKTSA-N	363.219	4.988	50	20	FJGD	
CC[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1	745836450	QIWAXBABAWDXPI-ZDUSSCGKSA-N	373.671	4.819	50	20	FJGD	
C[C@H](Sc1cc(F)ccc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	746237802	VDSOXBVOCJQIKT-ORHXRLAQSA-N	374.437	4.967	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(Br)c1)c1cccc(Cl)c1	748030379	RCBQIQJESOIZDU-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)ccc21	761200718	PSUIQXLDQLTEES-GHXNOFRVSA-N	356.212	4.670	50	20	FJGD	
CCCCn1ccnc1-c1cccc(NC(=O)NNc2ccccc2F)c1	770067942	CCVFSGUIBVMKBC-UHFFFAOYSA-N	367.428	4.638	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2nccnc2C(C)C)c1	772887777	CRZRKOFYCSCORN-UHFFFAOYSA-N	370.522	4.700	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)c2cc(SC)ncn2)cc1Cl	773169926	BGCDYRVXMFXKBW-XCVCLJGOSA-N	352.246	4.578	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cnc(Cc3ccccc3F)s2)c(C)c1	773458453	GRHYMRVNYBEHNV-UHFFFAOYSA-N	369.465	4.555	50	20	FJGD	
O=C(NNc1ncncc1Cl)Nc1ccc(N=Nc2ccccc2)cc1	782007381	ZEKFXJJKROKYHZ-UHFFFAOYSA-N	367.800	4.694	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=C1CCC[C@H](C(F)(F)F)C1	783509853	RKDZCROTASXENX-NSHDSACASA-N	362.392	4.533	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	783713848	BGTSXPKHGXRUQL-GHXNOFRVSA-N	369.833	4.590	50	20	FJGD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CCCC[C@@H]1CCSS1	787493755	BQGGYBSHIUYFST-VXGBXAGGSA-N	355.491	4.890	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2c(-c3cccc(Cl)c3)noc2C)c1	794924754	UNRIIGJFHJZAES-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
COC(=O)c1occc1/C=C(/C#N)c1nc(-c2ccc(C)cc2)cs1	797157758	SMFIFGFSZPPPMM-DHDCSXOGSA-N	350.399	4.562	50	20	FJGD	
CCc1ccc2occ(C(=O)NNc3ccccc3Br)c2c1	802824999	KCRBYCJTGXXFOU-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	806787096	AWFZMWBLUMEMAH-UHFFFAOYSA-N	369.424	4.667	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12	807473738	MXJVDFTYPRECIK-UHFFFAOYSA-N	364.445	4.500	50	20	FJGD	
ClCCCOc1ccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	811490923	WBRVIJXQEMBXBW-PZJWPPBQSA-N	359.897	4.704	50	20	FJGD	
CCC(=NNC(=O)c1ccc(O)c(Cl)c1)C12CC3CC(CC(C3)C1)C2	811643643	IRNBPQZOPYVFID-UHFFFAOYSA-N	360.885	4.758	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)c1ncc(C(F)(F)F)cc1Cl	811688916	TXEDLNBHKJTNQB-WMZJFQQLSA-N	351.690	4.829	50	20	FJGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817908713	HXMOOTAHQLJFEE-XFXZXTDPSA-N	351.349	4.904	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2SCC=C(C)C)cc1	817909256	ZHHNVLIBMCBOQO-UHFFFAOYSA-N	356.491	4.901	50	20	FJGD	
Cc1ccc(NNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1	849512400	DKZLUFHZRDLDCS-UHFFFAOYSA-N	358.441	4.768	50	20	FJGD	
COc1ccc(CCC(C)=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1	916357099	YXZRTYVUSJOMEL-AWEZNQCLSA-N	370.518	4.620	50	20	FJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CC)CCC2)cc1	1790488859	LNEQDRSVSTXTFV-MRXNPFEDSA-N	364.917	4.574	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	65999629	KJXWSMLGFXNUPQ-UNOMPAQXSA-N	367.433	4.758	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1OC	179607181	GTERVBHLRPYTOU-NTEUORMPSA-N	371.795	4.842	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	206948330	ZZTPBECQPZOPAI-UVTDQMKNSA-N	374.412	4.946	50	20	FJGD	
CC[C@@H](C)N1CC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	286260854	LAKMROXPWNLBPT-SECBINFHSA-N	358.332	4.911	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3ccc(C)cc32)c1C	730190493	CPBADELAVHKRSO-VLOXRPPESA-N	361.489	4.534	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cccc(OC3CCCC3)c2)cc1	734305162	KNRKKJZAKCUFCS-DEDYPNTBSA-N	360.457	4.540	50	20	FJGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)Nc1cccc2ccccc12	737442358	CLOZOZQVIRKHSU-GDNBJRDFSA-N	372.815	4.687	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1	740096797	VXOYGKUCRUVOCF-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccccc1C(F)(F)F	742516678	GOKPDGZCBQNFDS-LBPRGKRZSA-N	354.347	4.557	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)oc2ccc(Cl)cc12	746698399	FUVHPAFKVRTZTP-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
CC[C@H](SC)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	746812558	ZEKRHOTXAJPRJE-JOYOIKCWSA-N	357.850	4.986	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(OC2CCCC2)cc1	747600823	WOBHOQJQVJMOJV-UHFFFAOYSA-N	364.367	4.784	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C)n(C(C)C)c1C	748748665	PRQCIFYQSYXJSW-UHFFFAOYSA-N	364.287	4.514	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1Br	757140806	GMAQWUUNRGEISG-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)c3cccnc23)c1C	759116845	UFIGWPCCWOJSQH-SFQUDFHCSA-N	359.404	4.768	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl)c1ccccc1	761387627	XVXDONWNOSEESI-KAPURRDVSA-N	367.811	4.525	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(C(F)(F)F)s2)ccc1[N+](=O)[O-]	761479853	OUBNWDQRAFEPME-POHAHGRESA-N	354.309	4.748	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(OCC2CC2)cc1	767397091	WIOHARJJOPKNOK-UHFFFAOYSA-N	369.223	4.678	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cnc(C3CCCC3)s2)cc1	767718218	QNINHAADVRNNOR-LFIBNONCSA-N	351.475	4.909	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccc(F)cc1	767916615	MJGFYUNPIHPJES-MFOYZWKCSA-N	365.795	4.514	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)C1CCOCC1	789148168	OZHPQUSWDKBNOH-CPNJWEJPSA-N	351.833	4.910	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(Cl)c2ncccc12	800795467	KMWSWOJPXBYACL-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ncccc3F)c3ccccc3n2)cc1	804218063	NIIBTYVXEIUEMM-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CSc1ccc(F)cc1CNCc1ccc(OCCCCl)cc1	811482757	QUCLLQHOVBZDDX-UHFFFAOYSA-N	353.890	4.845	50	20	FJGD	
ClCCCOc1ccc(CNCc2cccc(CN3CCCC3)c2)cc1	811486968	PZGHVWUVXAUHIN-UHFFFAOYSA-N	372.940	4.580	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)c1csc(-c2ccc(Cl)cc2)c1	816504584	SQUYWXRNKSBQII-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	817880092	VXEMFDJRCCGWEC-DLBZAZTESA-N	365.260	4.639	50	20	FJGD	
C[C@@H]1C[C@H](CN)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179739	RNCYOVXOFBLFAK-NXEZZACHSA-N	359.364	4.545	50	20	FJGD	
CCC(CC)n1ccc(C(=O)NNc2ccccc2Cc2ccccc2)n1	846464382	NPHBDGJSROQLJK-UHFFFAOYSA-N	362.477	4.592	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc3ccncc3c2)c1C	900767905	SLZFBAKETPGNTP-YBFXNURJSA-N	359.429	4.576	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)cc1	915853006	YRKAIWVZQMGXNK-JPVKTXQWSA-N	362.429	4.532	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	921261984	MRFVAQVEKAJVQG-YBEGLDIGSA-N	354.837	4.716	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(CCCc3ccccc3)o2)cc1	1329075918	XVCDEGXPDXTPGV-CYVLTUHYSA-N	359.429	4.708	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(OC)c2)CC1	1776778827	AKSORRQGKJQOOK-PDGQHHTCSA-N	369.461	4.866	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)c(Cl)s2)cc1Cl	1777433564	FMQDYHMWIRLSIZ-ONNFQVAWSA-N	366.225	4.851	50	20	FJGD	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1	6210134	ADFSZGYYHDHHRD-DTQAZKPQSA-N	355.463	4.648	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC(C)C	7158527	ZNBIJSMACYVMSP-WOJGMQOQSA-N	364.445	4.584	50	20	FJGD	
N#CC(C#N)=CNc1ccc(Sc2ccc(Br)cc2)cc1	15241219	YUCAWVHHADVSSC-UHFFFAOYSA-N	356.248	4.943	50	20	FJGD	
COc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1C	15423025	OXHXBUAAZGQQJC-UHFFFAOYSA-N	359.640	4.721	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1nc(-c2ccsc2)no1	104222203	GZTCOBUONBGCHG-LBPRGKRZSA-N	370.521	4.555	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc2ccccc2o1	113985790	SXIODYARQGIOSK-UHFFFAOYSA-N	365.614	4.606	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1Oc1ccccc1	121924773	LFADMXTYTNHWIC-UHFFFAOYSA-N	370.355	4.837	50	20	FJGD	
Cc1ccccc1NNC(=O)c1sc(-c2cccc(Cl)c2)nc1C	123086020	RNTPUBQXLWAVPL-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc2ccccc2s1	124953136	LCCZQMWRGOYTTM-UHFFFAOYSA-N	366.364	4.599	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	128692388	YXTDAPQJGJTYHR-MHWRWJLKSA-N	351.475	4.963	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)c3ccsc3)cs2)cc1	141578073	IEGCOLAPZQNMFF-NVNXTCNLSA-N	366.467	4.882	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1cccc(Br)c1	152183900	JXNQFEMMDQDINJ-UHFFFAOYSA-N	365.296	4.707	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12	172680620	DXZFBVLCPMWOAD-KPKJPENVSA-N	351.749	4.519	50	20	FJGD	
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	183553170	NJHDNZWFLOWVIN-NXEZZACHSA-N	372.359	4.539	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cccc1OCC	211488719	MNQSGYGDCFBGAW-JXAWBTAJSA-N	364.445	4.728	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Br)c(C)c1	211536260	TUUXSVZHBJEAEH-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCOC1	274016764	MIOPCRFREKDHOV-UWVGGRQHSA-N	360.348	4.891	50	20	FJGD	
Cc1cc([C@H](C)NS(=O)(=O)c2ccc(CCCCl)cc2)c(C)s1	303149193	MIGSMHCJHKMQLI-ZDUSSCGKSA-N	371.955	4.576	50	20	FJGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	730574583	QQIMOZKINYLXPR-QINSGFPZSA-N	374.893	4.518	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccccc4)cc3)nc12	741472407	HWPIDNPQUPANPM-UYRXBGFRSA-N	366.424	4.910	50	20	FJGD	
CCC[C@H](C)C(CC)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	748249606	CBRRDDIDNSNPKH-ZDUSSCGKSA-N	373.522	4.938	50	20	FJGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1cc(Cl)ccc1Cl	748513264	ZMMPZYGYEOGLEF-NTMALXAHSA-N	358.228	4.698	50	20	FJGD	
CC(=O)c1cccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	748822021	FMGJZJDFMREOPH-UHFFFAOYSA-N	372.639	4.998	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(Br)c1	753683572	VTAYAEVVRPTYJY-XNTDXEJSSA-N	366.218	4.872	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cn(C(C)(C)C)nc1-c1cccc(OC)c1	759641268	CUVUBSJCZLJLSW-ZCQLHAAUSA-N	365.477	4.836	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCCOc2cc(F)ccc21	776999959	NPMZAFDFKHUANM-GDBMZVCRSA-N	369.527	4.870	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1NCc1ccccc1	777461758	RYMYVZHXCKEHFO-UHFFFAOYSA-N	368.440	4.604	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1OCC	783688013	SYAZUCBVQHQJMH-UKTHLTGXSA-N	361.850	4.989	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1)c1ccccc1	787142088	RNNHHNPVHXLHOC-MUMAZLPKSA-N	354.837	4.523	50	20	FJGD	
CC(C)c1nc2ccc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)cc2s1	787217187	RIWYUALCBZOFRF-ZROIWOOFSA-N	363.442	4.671	50	20	FJGD	
C[C@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)CCCCCl)c2)C1	788058860	BGMOZZAMYWWKKU-MAUKXSAKSA-N	373.946	4.543	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1cc2ccccc2s1	788328186	LZXIABNUJIAPPO-VXLYETTFSA-N	369.449	4.936	50	20	FJGD	
CCSc1cccc(NC(=O)NNc2ccc(Cl)c(OC)c2)c1	788603398	CMXSGBITMUOLOC-UHFFFAOYSA-N	351.859	4.609	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3cccc(Cl)c3)sc2c1	788686901	BRNGLKNOYGYXRA-WQLSENKSSA-N	354.818	4.748	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(-c4cccc(F)c4F)o3)nc12	790220892	XWXOLTKXLQHEES-FMIVXFBMSA-N	362.339	4.869	50	20	FJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C(F)F)cc1	794482702	RXZHALDYWSETBZ-AWEZNQCLSA-N	368.383	4.695	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	794953311	JASLPIDITPGUKB-UHFFFAOYSA-N	355.438	4.709	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	811687714	IHAQPKTZPUEUQK-ACAGNQJTSA-N	373.359	4.994	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1coc(-c2cccs2)n1	813032257	QWNFPSQZHXMDPA-UHFFFAOYSA-N	370.478	4.661	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1c(Cl)cccc1Cl	813485154	JFKAHVWUYOAFPH-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1(CO)CC1	822618910	QEEWWGYTFHRGQT-VIFPVBQESA-N	360.348	4.627	50	20	FJGD	
CC(C)(C)c1ccncc1CNC(=O)CCCC[C@@H]1CCSS1	839828234	SOFVBXGPVLONCA-OAHLLOKOSA-N	352.569	4.709	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3[nH]c(C)cc3c2)c1C	914763477	DZFZLBCBTRCBSB-ODLFYWEKSA-N	360.461	4.850	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccccc1C(F)(F)F	915972216	JKRJQHJTWDDVTB-UHFFFAOYSA-N	356.347	4.551	50	20	FJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@H](C)c2ccc3ccccc3c2)cc(C#N)n1C	920154567	PTEBQINIGZRLRE-NBZOHKLQSA-N	369.424	4.570	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2Cl)c1	1317716087	MGVKHKHVIPVSNB-ZDLGFXPLSA-N	361.832	4.683	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	6209796	NAPQBFVGJMPUGL-ZRDIBKRKSA-N	361.228	4.938	50	20	FJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ccccc1Cl	6398903	DJKQOILVZQTYHR-GFCCVEGCSA-N	373.927	4.536	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl	23218292	TUFJSQMWHQIXMQ-MDWZMJQESA-N	365.776	4.828	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)cc1	67006418	YFGWYKIBACWOND-JYRVWZFOSA-N	351.349	4.788	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1Cl	73752220	IXZSJMLROOTZSG-SXGWCWSVSA-N	354.837	4.820	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cnc(C3CCCC3)s2)cc1	128703727	YQHJMEMGIVYFTK-RVDMUPIBSA-N	367.474	4.745	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1occc1CSc1ccccc1	136092016	LHNZGWVPOJTSNN-UHFFFAOYSA-N	358.850	4.982	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)c1C	155182000	IWJOUHVMEKWBCV-MHWRWJLKSA-N	351.475	4.805	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnn(C(C)C)c3)n2)cc1	171981933	VMTLFWHFLDBGME-LZYBPNLTSA-N	350.447	4.660	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)C(C)C)ccc1OCc1ccc(F)cc1	221917955	AJDLVPCKFQGWDE-LICLKQGHSA-N	353.393	4.545	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(C3SCCCS3)cc2)cc1	294373652	OTCWQTZCWDGOOA-UHFFFAOYSA-N	374.531	4.711	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1	726183569	MPFZGZBIHZFBMP-LICLKQGHSA-N	351.406	4.525	50	20	FJGD	
Cc1c(C(=O)NNc2nccc3sccc23)oc2ccc(Cl)cc12	734248949	CORWHGBPTJHKKJ-UHFFFAOYSA-N	357.822	4.761	50	20	FJGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(Br)cc2Cl)c1	740082904	YEKCRUPQFKCZGO-LLVKDONJSA-N	367.674	4.658	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl	741467826	CVSWCLAMXSBLFG-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccnc(Cl)c2)c1C	750632816	XQCUVIXPCLGRKG-WQRHYEAKSA-N	371.868	4.604	50	20	FJGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2c(Cl)cccc2Cl)c1	756826256	FGQZODHLJXBFDY-UHFFFAOYSA-N	373.186	4.667	50	20	FJGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	757605788	VGMPHYXHCCQZEE-GJZGRUSLSA-N	371.506	4.739	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Oc2ccc(F)cc2)cc1	772171942	QYVUXOZNHSYYLJ-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1	772817622	HKGQZJQVKXDHGR-LBPRGKRZSA-N	368.811	4.653	50	20	FJGD	
CCc1ccc([C@H]2CCCCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)o1	776661608	RBSVDPMHTVJAJT-BBKFTCMMSA-N	364.445	4.598	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)c1ccccc1C(F)(F)F	777481965	OPGSNKFWKGFLRP-CYBMUJFWSA-N	373.378	4.809	50	20	FJGD	
CCN(C1CCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777952436	MVBNQYLHMAIKGD-UHFFFAOYSA-N	365.389	4.907	50	20	FJGD	
N#CC1=CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1	780687200	OEAFOEIODMYYHZ-UHFFFAOYSA-N	368.889	4.928	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)c1ccc(OC(F)F)cc1	782197759	XSXUKPIGYFTLRH-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CCCC[C@H]1CCSS1	787493751	BQGGYBSHIUYFST-RYUDHWBXSA-N	355.491	4.890	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1	789820842	KQASDPJLWDABHC-UHFFFAOYSA-N	371.318	4.594	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccsc2Cl)n1	790100186	NUDLNELIWOPMEM-POHAHGRESA-N	351.884	4.701	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	792635999	OIGOFNFYLSKUJD-VQHVLOKHSA-N	352.670	4.726	50	20	FJGD	
Cc1nc(C(C)C)oc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	794198031	ASMHICOKZQYXEI-UHFFFAOYSA-N	362.644	4.824	50	20	FJGD	
N#C/C(=C\c1ccc(SCc2ccccc2)cc1)C(=O)C1CCOCC1	794959694	YYVXVHZVEGCSEP-XSFVSMFZSA-N	363.482	4.882	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cn1	797787692	ZDOLTCKFDDMMAR-PDGQHHTCSA-N	357.388	4.778	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1F	799891018	IDAHXOTUZWGNKR-KPKJPENVSA-N	354.768	4.759	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(C#N)c2)c(C)n1-c1ccccc1F	834721761	GZAWJHQRKGJCEI-UNOMPAQXSA-N	369.399	4.895	50	20	FJGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846376863	IGTCKUHZBTUWHZ-UHFFFAOYSA-N	369.774	4.697	50	20	FJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccccc2C)cc1C	865505186	LRFQNBAPBONCCS-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2cccs2)c(C)n1CCC(C)C	912663993	HWFFZRQPUHYXSO-UNOMPAQXSA-N	369.534	4.778	50	20	FJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3ccc(F)cc3)cs2)cc1	912710031	FGNDNWRZXMTNOY-UHFFFAOYSA-N	369.465	4.758	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1ccc(COc2ccccc2)o1	916360503	VDZAULSEUCVGDY-IAGOWNOFSA-N	366.461	4.935	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OC3CCCC3)c2)c1	917516640	ZTLAMCYOLAVIQB-SFQUDFHCSA-N	362.429	4.562	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)Nc3ccccc3C)cs2)cc1	918712407	MSMRDFRYNOCXAG-UHFFFAOYSA-N	350.447	4.583	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(F)c2F)c1C	921291018	GTYBQWMASZGKEK-WJDWOHSUSA-N	357.404	4.729	50	20	FJGD	
CC(C)[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)c1nncn1C	922122790	PGMZHYLLOFODQO-CYBMUJFWSA-N	370.391	4.959	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccccc1Cl)c1cccc(Br)c1	1318899826	CFQJZHHLWFVFEZ-NSHDSACASA-N	365.658	4.622	50	20	FJGD	
O=C(NN=C1CCCC[C@H](c2ccccc2)C1)Nc1ccc(C(=O)O)cc1	1776045275	ODTYGFPWNBDAJX-KRWDZBQOSA-N	365.433	4.610	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)c2ccccc2)o1	33653711	IDSYXJNEIQSQNF-DTQAZKPQSA-N	357.365	4.523	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1	59269564	SPEUOIIDHRQKQQ-OQLLNIDSSA-N	370.836	4.601	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccn(C2CCCC2)n1	178309265	NYNOENDLDMJNOS-UHFFFAOYSA-N	368.506	4.948	50	20	FJGD	
CC1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	181736725	OOSGWFKQCXSPMV-UHFFFAOYSA-N	351.362	4.565	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1	255279983	OOLZFAPERKOMPR-NWFCWYBLSA-N	364.355	4.786	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Oc2ccccc2Cl)nc1	746584579	ZJZXXRJBDPAASF-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
C=C(C)COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1OC	747047529	AHWYWTIKGYTNKX-UHFFFAOYSA-N	374.440	4.567	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc2c(c1)CCO2	748667807	RFKDZFWNSAAPPI-UHFFFAOYSA-N	366.486	4.501	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnc2[nH]cnc2c1	762764354	XOGSMAKSOQPGPW-UHFFFAOYSA-N	364.299	4.868	50	20	FJGD	
CC[C@H](C(=O)NNc1ccc(Br)c(C)c1)c1ccc(F)cc1	764264891	ZKWFGNXRSKTNBM-HNNXBMFYSA-N	365.246	4.534	50	20	FJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1N[C@@H]1CCN2CCC[C@H]2C1	777622835	ZDSNBDGCGNKBBJ-TYNCELHUSA-N	364.864	4.945	50	20	FJGD	
C[C@@H]1CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777842852	JVWHCFGLNIRLMC-SNVBAGLBSA-N	365.389	4.765	50	20	FJGD	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NNc1ccnc(F)c1	781359348	KPDMLUJNEZMSNV-SOFGYWHQSA-N	373.840	4.759	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1nc2ccccc2cc1C	790013590	GGYVEBHKTLHUIF-UHFFFAOYSA-N	351.475	4.553	50	20	FJGD	
COc1cc(NNC(=O)c2nc(C)sc2-c2ccccc2)ccc1Cl	790168315	IZXXRCBCXUGBDP-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(Oc2ccc(OC)cc2)cc1	792633433	HYEVWMUGUHIZCK-ZHZULCJRSA-N	371.458	4.567	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3nc4cc(F)ccc4s3)s2)cn1	800790910	BDLUDJFCOIPALC-IZZDOVSWSA-N	366.446	4.962	50	20	FJGD	
CSSCCNC(=O)N(Cc1ccccc1)Cc1ccccc1F	807224830	ANUSFZXEXIPBLK-UHFFFAOYSA-N	364.511	4.549	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Oc3cnccn3)cc2)cc1C	809145719	DLYKNIJDKJLVAI-UNOMPAQXSA-N	355.397	4.676	50	20	FJGD	
COCCc1nc2cc(NCc3ccc(OCCCCl)cc3)ccc2o1	811483998	UGSYBAKVYOCJDN-UHFFFAOYSA-N	374.868	4.637	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@]1(C)CO	822460021	CSPMLASLERUPAT-YGRLFVJLSA-N	374.375	4.826	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c1	857830489	IZRWWVLFRUWBJW-UHFFFAOYSA-N	350.443	4.681	50	20	FJGD	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(Cl)c1	915292063	DHECCFHMSUYIEB-VIFPVBQESA-N	359.640	4.557	50	20	FJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCCC[C@@H]3C)cc12	916273239	WTZJILANXLFUFS-ZDUSSCGKSA-N	366.490	4.691	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(O)c(Cl)c1	921261982	MRFVAQVEKAJVQG-MHWRWJLKSA-N	354.837	4.716	50	20	FJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)Nc1ccccc1C(F)(F)F	11294371	CTPDHXPIMSDQLA-JLHYYAGUSA-N	356.303	4.997	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(OC(F)F)cc1	122797308	JPANGBRSAZREIE-UHFFFAOYSA-N	352.406	4.545	50	20	FJGD	
C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192977744	ONIHIAGNLGAEPJ-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)cc1	205609273	RBPIGNHYMZZKPY-GDNBJRDFSA-N	363.417	4.803	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)c3nc4ccccc4[nH]3)cs2)c1	213141491	RVHZVFQAUSETFH-NTEUORMPSA-N	358.426	4.759	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)Cc2ccc(C)s2)c1C	303759183	NYHZGOHMGFPSDD-VCRXTVNUSA-N	369.534	4.539	50	20	FJGD	
Cc1ncccc1/C=C(\C#N)C(=O)c1cc(C)n(-c2ccccc2F)c1C	728785623	IJCASDGKFBPSPF-LDADJPATSA-N	359.404	4.727	50	20	FJGD	
CCC[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1ccccn1	729614155	YSWNQIANWFEXSF-JOCHJYFZSA-N	374.488	4.844	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1Br	735618772	FXCAPKFRMLCMIC-JYRVWZFOSA-N	368.234	4.707	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1OCC	748589319	WEQWXJBQULZVSA-UHFFFAOYSA-N	368.477	4.510	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccc(-n2cccn2)cc1	760229331	HGLIENDHEQXTGB-KRWDZBQOSA-N	362.520	4.630	50	20	FJGD	
Cn1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1	773153445	FKSYTJXATDUCOX-POHAHGRESA-N	361.257	4.915	50	20	FJGD	
CC[C@H]1CCCC[C@@H]1NCCP(=O)(c1ccccc1)c1ccccc1	775678783	UFIYDZGMCQPFJK-UGKGYDQZSA-N	355.462	4.559	50	20	FJGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c1	776259614	MIAQSVCJGJPCRT-MHWRWJLKSA-N	357.356	4.865	50	20	FJGD	
C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777936855	MEHAXZCQZKRWMA-CABZTGNLSA-N	365.389	4.811	50	20	FJGD	
C[C@H](CC(=O)NNc1ccccc1OC(F)(F)F)c1ccc(F)cc1F	779204805	YYCUSOKVDPHAHT-SNVBAGLBSA-N	374.309	4.500	50	20	FJGD	
CC(C)Oc1ccc(NC(=O)NNc2ccccc2OC(F)(F)F)cc1	779403667	NIPSSMYJBTZELH-UHFFFAOYSA-N	369.343	4.521	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1c(Cl)ccc2cccnc12	781123683	FUOFNFVYNXPBHU-UHFFFAOYSA-N	373.843	4.734	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1OC	790228124	QDCHBLBLCXYCSY-ZCQLHAAUSA-N	359.429	4.880	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccccc1NC1CCCCC1	795150038	YUYLQTWLHFFKRT-UHFFFAOYSA-N	363.383	4.605	50	20	FJGD	
Cc1ccc(NNC(=O)c2sc3ccccc3c2Br)cc1	810043671	BLMGHPIEYTVDPL-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
C[C@@H](N)[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189345	GQQOBDAOENJQKV-NXEZZACHSA-N	359.364	4.545	50	20	FJGD	
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)c1ccc2c(c1)OCO2	917518055	REGVDGLXALYSGZ-YVLHZVERSA-N	361.397	4.527	50	20	FJGD	
COc1ccc(CCC(=O)NN=CC(c2ccccc2)c2ccccc2)cc1	920377612	HZXRGAQESXSZAQ-UHFFFAOYSA-N	372.468	4.562	50	20	FJGD	
Nc1ccc(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(Cl)c1	1324799091	YJVQHCIHZUAOQL-UHFFFAOYSA-N	373.840	4.554	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2n1C	23217855	LHLJOXNXZBRMKV-NTCAYCPXSA-N	373.847	4.785	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)Nc3ccccc3C)s2)cc1	114991030	NHIUJWARUZXHOH-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)cccc1-c1ccccn1	123676786	SJUHMLQLCBSVMT-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc1C	125397012	ZLVZIBVUKBDLFO-LCYFTJDESA-N	351.387	4.992	50	20	FJGD	
CC[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183481105	JRQIGECZLARCFW-VIFPVBQESA-N	360.348	4.539	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/C(C)=C\c1ccccc1	212015265	BBIJHFBSAYZLGW-OIKHISIKSA-N	362.429	4.544	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1[N+](=O)[O-]	212908385	DTVBOBXHHYPMHM-VBKFSLOCSA-N	373.368	4.746	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)N(C)c1ccccc1	732716231	LNLQEPJTVKAFMB-MDWZMJQESA-N	361.228	4.572	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2[N+](=O)[O-])cc1	739426405	LREUCKRGCIQNRD-MHWRWJLKSA-N	354.793	4.991	50	20	FJGD	
CCCc1cc(C(=O)NNc2ccccc2Br)sc1C	748069748	HXIANWDHSAACCZ-UHFFFAOYSA-N	353.285	4.528	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OCC)cc1	748583785	HARXOUBAWDIMAR-LDADJPATSA-N	364.401	4.736	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	764412688	TYZLKRJTADILQM-CLFYSBASSA-N	353.230	4.609	50	20	FJGD	
CC1(C)C(=NNC(=O)c2cc3ccccc3cc2O)C[C@H]1c1ccccc1	768476533	OPDPUNUDQJVIKO-IBGZPJMESA-N	358.441	4.845	50	20	FJGD	
O=C(NNc1ccc(Br)c(F)c1)Nc1cccc(C(F)F)c1	771133186	DLPMFJBYEFKDRZ-UHFFFAOYSA-N	374.160	4.674	50	20	FJGD	
Cc1csc(-c2ccc(NC(=O)NNc3c(C)cccc3F)cc2)n1	771137472	YYSNETNSXSOLJU-UHFFFAOYSA-N	356.426	4.715	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@]3(CCOC3)C2)cc1	788022355	NARSNBZACUFKPY-NRFANRHFSA-N	361.602	4.821	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	798344572	ITHXYPUTVFWCKD-CAOOACKPSA-N	359.458	4.832	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c(-c2cnn(C)c2)c1	801648082	NIKORVISPATPEO-ZDLGFXPLSA-N	367.408	4.932	50	20	FJGD	
Cn1cccc1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807251104	PVNQROPAIHQDJB-UHFFFAOYSA-N	354.300	4.504	50	20	FJGD	
CCn1nc(C)c(CNCc2cccc(S(F)(F)(F)(F)F)c2)n1	840973285	HPPWVXYOIZIZEV-UHFFFAOYSA-N	356.364	4.554	50	20	FJGD	
O=C(CCc1ccccc1Cl)NNc1ccnc2cc(Cl)ccc12	913188101	HGHQNMYTOHWXJL-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
O=C(Cc1coc(-c2ccccc2)n1)NN(c1ccccc1)c1ccccc1	1317798288	OFCGZPCIKLKSDV-UHFFFAOYSA-N	369.424	4.754	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)c1C	7210169	BDFCIJDFHVMYDB-LFIBNONCSA-N	358.388	4.906	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(F)c(Br)c2)nc2ccccc21	23217905	OQOQHNNWVMOYPM-XYOKQWHBSA-N	356.198	4.539	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)ccc1OC	63412595	YCDGWMFWLZKRMA-MHWRWJLKSA-N	363.442	4.677	50	20	FJGD	
C[C@H](Sc1ccccc1Cl)C(=O)C(C#N)=C1Nc2ccccc2N1	104835095	JPESEUQWVJNASZ-NSHDSACASA-N	355.850	4.662	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccs2)n1)C(=O)Nc1ccc(F)cc1	209744439	CZSGCSIVPSFDIQ-DHZHZOJOSA-N	355.419	4.556	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1C[C@H]1c1cccnc1	371868271	SLGZJKSMMYGXTI-ZWKOTPCHSA-N	351.475	4.522	50	20	FJGD	
CC(C)C(=O)Nc1cccc(OC(=O)CCCC[C@H]2CCSS2)c1	733172457	CUARMQMCFHAGFX-INIZCTEOSA-N	367.536	4.901	50	20	FJGD	
C/C(=C/C(=O)NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1	743455489	MFIGRFBDACDCDJ-NTMALXAHSA-N	356.294	4.530	50	20	FJGD	
Cc1oc2ccccc2c1C=NNC(=O)c1ccc(COc2ccccc2)o1	758098714	FMRCBCNFLBTEDE-UHFFFAOYSA-N	374.396	4.677	50	20	FJGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)Nc1cccc2ccccc12	760210064	HBAKNPCNIQKSGE-XMHGGMMESA-N	364.408	4.571	50	20	FJGD	
O=C(NN=Cc1ccc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl	761777786	MVOUVPVDEFJRKS-UHFFFAOYSA-N	367.179	4.838	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(C(F)(F)F)c1	767407648	WJRLMWLIKVAYHU-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cccc2c3c([nH]c12)CCCC3	771672648	NSQDDTLAKITZMJ-UHFFFAOYSA-N	357.816	4.596	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)Nc1cc(Cl)ccc1Cl	772806092	JXZCZBZXULBTGZ-WUXMJOGZSA-N	360.175	4.550	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)Nc1cc(Cl)cc(Cl)c1	772806154	KJZVWIQAVVWFCJ-QCDXTXTGSA-N	360.175	4.550	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C(C)=O)cc1F	776780813	OHKHATFCKXQYNV-UHFFFAOYSA-N	370.449	4.979	50	20	FJGD	
CC[C@@H]1CCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777930977	GSAMYSGKOICGAY-SNVBAGLBSA-N	365.389	4.907	50	20	FJGD	
CSSCCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	790880454	JZLQJEFZNJXZCR-CYBMUJFWSA-N	364.458	4.563	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)OC)o1	794874762	OCWWXFXKIAFFJX-WYMLVPIESA-N	351.402	4.645	50	20	FJGD	
CC1=CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	797846617	IVDPSYZFBQKPAU-UHFFFAOYSA-N	363.373	4.685	50	20	FJGD	
CC[C@H](C=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccccc1	814786186	YCUIEEXIEMPSPD-MRXNPFEDSA-N	363.486	4.648	50	20	FJGD	
C/C(=C/C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1	817013835	FSCWWXIOWFGEIB-YWEYNIOJSA-N	352.278	4.524	50	20	FJGD	
O=C(NC[C@@H]1CCCCN1)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178455	GAVUSAVXGCGNPY-NSHDSACASA-N	359.364	4.608	50	20	FJGD	
Cc1cc(C#N)c(=O)n(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1	842597415	YLHVHXGNWOWYNX-UHFFFAOYSA-N	368.553	4.599	50	20	FJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1cnc2n1CCC2	850203642	GXHNPYHZBHCSJW-CQSZACIVSA-N	361.820	4.661	50	20	FJGD	
Cc1cc(OC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-]	915277261	KJHUFTDRVVSYEZ-SNVBAGLBSA-N	370.188	4.583	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)c1ccc(Cl)cc1F	1323399079	VZYZWMFRFQQMSK-RVDMUPIBSA-N	354.812	4.869	50	20	FJGD	
CC(C)(C)CC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccc(Cl)cc1	1776095122	GQLOCRPAMBKOEI-UHFFFAOYSA-N	372.852	4.609	50	20	FJGD	
CC(CC[C@@H]1[C@H](C)CCCC1(C)C)=NNC(=O)c1ccc(C(=O)O)cc1	1776101284	AFIAKXKAXSFHJT-RDTXWAMCSA-N	358.482	4.733	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	21791429	OBLZUBGGFNVUCY-NYYWCZLTSA-N	361.257	4.915	50	20	FJGD	
N#C/C(=C/c1ccccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3	96669453	WWFGKISBHDPSDF-XFXZXTDPSA-N	367.861	4.993	50	20	FJGD	
N#Cc1ccc(NNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1	154415445	QOXVTVWCQWTZMV-UHFFFAOYSA-N	369.384	4.515	50	20	FJGD	
Cc1coc(-c2cc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)ccc2C)n1	183606593	GPWVMGGDGLCZEZ-SXGWCWSVSA-N	361.376	4.643	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2nc(-c3ccccc3)cs2)cc1	726876035	CSTYXJVSGAYSAR-ATVHPVEESA-N	359.454	4.918	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1)C1CCCCC1	732716777	ZGIXGUGNWRQFKV-OBGWFSINSA-N	352.478	4.706	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc([C@H]2C[C@H]2C)o1	732765132	JHJLENXQZMFMHK-WBMJQRKESA-N	365.458	4.599	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1sc2ccccc2c1Cl	734247976	IBEQHQIUOWGLKF-UHFFFAOYSA-N	359.863	4.921	50	20	FJGD	
Cc1ccc(-c2ncc(C=NNC(=O)Nc3ccccc3C)s2)cc1	734298198	BTCKLZHJUNPZDY-UHFFFAOYSA-N	350.447	4.583	50	20	FJGD	
CN(CC1(O)CCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752971718	CNBGNKWTVGAZNZ-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
CCC[C@@H]1CCCCN1CCP(=O)(c1ccccc1)c1ccccc1	755246092	VXCPXWMNILATDS-HXUWFJFHSA-N	355.462	4.655	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(F)c(C#N)c3Cl)n2)cc1	761390222	CDQSKKYEBJPAFH-RIYZIHGNSA-N	364.767	4.773	50	20	FJGD	
CC(C)n1ncc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1N	762819101	WGRJLKGBDUMDJQ-UHFFFAOYSA-N	370.347	4.956	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cnc(C2CCCC2)s1	767772071	NRFMCYZYFZPYMF-UHFFFAOYSA-N	363.486	4.647	50	20	FJGD	
N#C/C(=C\c1occc1Br)C(=O)c1ccc(Cl)cc1F	773148991	GGHZNHAKVOEWAF-VMPITWQZSA-N	354.562	4.624	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)/C=C/c2nc3ccccc3s2)cc1	781041773	LMIQPVFXJRBEDA-OUKQBFOZSA-N	351.475	4.750	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1)c1ccccc1	781546464	FAAQHTFWAMLLNV-KWWJGWKXSA-N	358.413	4.786	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c2c(c1)C[C@H](C)O2	783714008	DWHYBERYCPNQAP-MBGMWABPSA-N	359.834	4.523	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)C(C)(C)F)cc1OCC	834447341	KHTXZGJQSHVZSI-JYRVWZFOSA-N	353.821	4.752	50	20	FJGD	
N[C@@H]1CCC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841178415	DPXJLBZKBLQKRL-KOLCDFICSA-N	359.364	4.735	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2Br)ccn1C(C)C	856235480	ZPPYCNXGAFDILL-UHFFFAOYSA-N	370.678	4.550	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	8117328	VSGVLANZWLTVDB-VFCZSMPISA-N	360.335	4.967	50	20	FJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1ccc(Cl)cc1	11385984	QKSVYZYHLXPBSU-CQSZACIVSA-N	373.927	4.536	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	60529123	WUCDZESWWCGYIS-UXBLZVDNSA-N	363.248	4.560	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cc(Br)ccc2OC(F)F)n1	96843875	SJUJSFGPNKEBQK-WMZJFQQLSA-N	371.206	4.880	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	154644657	GOLOJLORLBJEHV-HOTGVXAUSA-N	367.449	4.629	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCc2cccnc2)cc1	154745171	OERMTRCKZBZYHI-FYJGNVAPSA-N	354.409	4.759	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(Cl)c(C(F)(F)F)c1	162687470	QBACNVUKYVOJNS-DAFODLJHSA-N	363.166	4.690	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnc(-c3cccs3)s2)c1	177610433	MFSWEBLJUBFNHY-UKTHLTGXSA-N	351.456	4.726	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	209647684	AILOVOLIFOYJKA-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cccc(Cl)c2)c1C	212445507	PGBNFZLBJFBULE-XDHOZWIPSA-N	369.896	4.734	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c(-c2ccccc2)n1	255217643	UPSYAVGGCIACLO-BOPFTXTBSA-N	369.453	4.670	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1OC(F)F	588597664	ZLTWNYRJDPXPAN-ZROIWOOFSA-N	361.319	4.616	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl	727263728	GTBIKVMPZHGKRT-GYZOOYGHSA-N	366.848	4.689	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)c1ccc(F)cc1	731489355	DPMWPOSQWCBISQ-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2)c1Cl	741470887	WZKGBYMKLVCCII-FMNVXAMXSA-N	355.869	4.806	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c(C)c1	743762188	LZARNYYRTFVAAE-SJORKVTESA-N	373.294	4.621	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2ccc(F)cc2s1	748500171	IKURQOOTSDWRRP-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12	748572089	VWRRVIMFMNISJU-UHFFFAOYSA-N	369.827	4.970	50	20	FJGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNc1cc(Cl)cc(Cl)c1	756040252	IGZUDOPPBKXLIB-QMMMGPOBSA-N	358.191	4.741	50	20	FJGD	
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)c1nnc2n1CCCCC2	756785530	BTRRGSJIWUQPBE-HMMYKYKNSA-N	370.456	4.744	50	20	FJGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2csc(Cl)c2Cl)c1	761386223	OLKJLQDJJTVZKQ-SDQBBNPISA-N	351.258	4.587	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(F)c(Cl)cc1F	763501220	KMFCTMGDDNUSAP-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
Cc1ccc(-c2csc3nc([C@H](C)Br)nc(O)c23)s1	767356883	CSQCDFHQCKTHFX-ZETCQYMHSA-N	355.282	4.890	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(Cl)cc(Cl)c1	779210086	WOWLSULSZAXSCF-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2sccc2Cl)n1	779797925	HFVKITPNQHVHFU-TWGQIWQCSA-N	351.884	4.701	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	781958222	SBLTUSWCNGOCQU-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCC(C)(C)C#N)c(C)n1CC(C)C	782070184	LIIDXPNJZWAUHS-YBFXNURJSA-N	355.482	4.541	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(-c2ccnn2C)c1	801647648	HHWPKOUJNNNQIN-ATVHPVEESA-N	353.429	4.644	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1OC(F)F	809145987	KIXOKBIECBFWKG-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
Fc1cc(F)c(CNCc2ccc(OCCCCl)cc2)c(F)c1F	811497259	LMHCZUFUWMNKBU-UHFFFAOYSA-N	361.766	4.541	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1F)c1csc(-c2ccccc2F)n1	815851311	ZLHAPAXZQSEQLJ-UHFFFAOYSA-N	373.428	4.509	50	20	FJGD	
CO[C@H](C)c1nc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)cs1	844346690	CHDDEQFVWUPEKA-ZBFHGGJFSA-N	370.635	4.837	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3ccco3)c2C)c1	874083726	PSXRZTZOVCOCBX-MOSHPQCFSA-N	373.456	4.561	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)c2nc3ccccc3n2C)c1Cl	915849163	GDNKDHOVGOBXDP-KAMYIIQDSA-N	353.857	4.596	50	20	FJGD	
CCCCC/C(C=NNC(=O)c1cccc(C(=O)O)c1)=C/c1ccccc1	1776094618	CNCRXSZKDAGYJJ-GTOWCATCSA-N	364.445	4.764	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776384192	WYRHMPDGACFAGL-QPEQYQDCSA-N	367.355	4.658	50	20	FJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl	7159135	VKSAOQSOAPRUMI-XYOKQWHBSA-N	350.727	4.904	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	7211135	ZPJPYGMITNZVFE-FOWTUZBSSA-N	358.353	4.953	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1	31643895	SDPAEKDXHADGPO-NBVRZTHBSA-N	355.441	4.866	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)cc2F)sc2ccc(F)cc12	115719929	QCMJKCTWWQWNEN-UHFFFAOYSA-N	354.328	4.523	50	20	FJGD	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1ccccc1Cl	123148624	NYLSTGREJGOWME-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CCN(CC1CC1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183511673	CNNODCGKPFLFIW-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2ccccc21	207881709	ZPFIUFNQKGPLNZ-QINSGFPZSA-N	370.368	4.806	50	20	FJGD	
O=C(CCc1ccccc1O)NN=Cc1c2ccccc2cc2ccccc12	729934788	BJNNLHYPUGMLOV-UHFFFAOYSA-N	368.436	4.782	50	20	FJGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1cccc2ccccc12	730568148	FHYDUDYKSGLINT-UHFFFAOYSA-N	371.465	4.656	50	20	FJGD	
O=C(NN=Cc1cccc(F)c1F)c1ccc(-c2ccc(F)cc2)s1	730727897	BPMMUAUEFMHTLS-UHFFFAOYSA-N	360.360	4.596	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744502153	NEHDVKZSBPKJGD-BKAYVGFPSA-N	373.412	4.565	50	20	FJGD	
CCCCCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC	747032553	HMTIQPJVKABMKU-JXAWBTAJSA-N	364.445	4.810	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1csc(-c2ccccc2Cl)n1	748319680	VZXNAPPVRLRSAN-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1ccc(CC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)o1	754280193	JWYBDHKJYQRCIQ-CQSZACIVSA-N	363.788	4.989	50	20	FJGD	
CCc1c[nH]ccc1=NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	759091902	LDSZZVYQKYEYAV-UHFFFAOYSA-N	352.328	4.976	50	20	FJGD	
N#C/C=C\CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1	763300151	YHCSBEOAPABKFS-PLNGDYQASA-N	366.877	4.819	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)c1cccc(F)c1	772172557	UISDAAFHPQHJQX-CAOOACKPSA-N	365.795	4.514	50	20	FJGD	
COc1cc(C(=O)NNc2c(C)cc(C)cc2C)cc(OC)c1C(C)C	781348682	KOKXBCIYBKPDJI-UHFFFAOYSA-N	356.466	4.509	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2F)c(C)n1CCC(C)C	782853544	YPQFNOLZAOQANX-YVLHZVERSA-N	369.440	4.541	50	20	FJGD	
CC(C)CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974720	ZDEQRRGQJXIVMV-UHFFFAOYSA-N	353.378	4.668	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1)c1ccccc1	787177108	FYUJZUASQZFMIT-BIRYMOPTSA-N	373.481	4.985	50	20	FJGD	
Cc1nc2ccccc2n1C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	796465524	ZFSILWRTEPCENB-UFFVCSGVSA-N	360.436	4.685	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cnc2ccccc2c1C(F)(F)F	799756825	JUKFZDHJPPOCAD-UHFFFAOYSA-N	373.378	4.881	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cccc2cccc(Br)c12	803116346	IWIFAJQBMMXYHP-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
C[C@@H](CCCCN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179541	PODBIWBPKGEEMG-JTQLQIEISA-N	361.380	4.983	50	20	FJGD	
CCCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1	916360462	UBUYSUDEDLDNPY-UHFFFAOYSA-N	351.233	4.546	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)Cc3ccoc3)c2C)cc1	918666075	UEDQHFONTJCJFD-MTJSOVHGSA-N	373.456	4.561	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1	120293813	GSRDAELWSQUCAH-UHFFFAOYSA-N	365.614	4.606	50	20	FJGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1	179607293	QWOAHYUQBFOZLL-PTNGSMBKSA-N	353.780	4.671	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OC	211506648	FCFHRZHLWZTZOL-PTNGSMBKSA-N	370.836	4.683	50	20	FJGD	
CC(C)(C)c1ccc2cc(C(=O)NNc3ccc(F)c(F)c3F)[nH]c2c1	727760060	TWBKBXPVVGGNPR-UHFFFAOYSA-N	361.367	4.640	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cc1C	730437178	QOVFYDMPTGQYID-XYOKQWHBSA-N	362.248	4.618	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OC	735618978	HXDMQKZCVYUCEB-RIYZIHGNSA-N	367.836	4.996	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cnc2ccc(Cl)cn12	737444015	MOWSDRRQRKXZID-MDWZMJQESA-N	360.804	4.567	50	20	FJGD	
CCCC(CCc1ccccc1)=NNC(=O)c1cccc(OC(F)F)c1	740761662	FKSILOHFEMQAEL-UHFFFAOYSA-N	360.404	4.807	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(C(=O)NC)cc2)CC1	741469537	LOIZYRUHGZERNG-XSFVSMFZSA-N	352.478	4.519	50	20	FJGD	
CC[C@@](C)(NC(=O)CCCC[C@@H]1CCSS1)c1nc(C)cs1	741715505	ZOHZJZOWCREKCY-CZUORRHYSA-N	358.598	4.907	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)Nc1ccccc1Br	747695278	JIYJOFOIGZLSCY-WLXMHCNISA-N	371.209	4.690	50	20	FJGD	
CCSc1ccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	752144451	XXSUEVYUDVMVCK-UHFFFAOYSA-N	354.397	4.503	50	20	FJGD	
Cc1cnc([C@H](NC(=O)NNc2cc(Cl)ccc2Cl)C2CC2)s1	752997147	MHISITDAILJNTG-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Br)c(Br)c1	757527636	SAVQJMMNSFRBST-CAXXOGMASA-N	371.072	4.734	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2c(Cl)oc3ccccc23)n1	761177859	VWQLDDSHPFBKCD-YFHOEESVSA-N	358.806	4.784	50	20	FJGD	
Cc1ccccc1-c1cnc(COC(=O)[C@H](Br)C(C)(C)C)o1	766750572	INGZRSHCQANJPZ-HNNXBMFYSA-N	366.255	4.503	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2nc(S)oc2c1	769241463	FHTZDJSSVJZYEN-NSHDSACASA-N	354.522	4.769	50	20	FJGD	
COc1cc(NC(=O)NNc2ccc(C(F)(F)F)cc2)ccc1Cl	788762976	YJWHPKWITYBAEX-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cn1	797785472	GBKDVMAKIOIRJA-GHRIWEEISA-N	372.403	4.534	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)N(C)CC(Cl)Cl)cc1)c1ccccc1	808247685	LAWVUZBEWWSOPR-ZDUSSCGKSA-N	352.261	4.702	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)c1cc(C(F)(F)F)ccn1	812248391	LHRADBBKSGLUEO-YHYXMXQVSA-N	369.140	4.633	50	20	FJGD	
O=C(NCC(Cl)Cl)c1sc(-c2ccco2)nc1-c1ccccc1	816605486	AGAKZGXUJNIHMI-UHFFFAOYSA-N	367.257	4.604	50	20	FJGD	
COc1ccc(-c2ccccc2C)cc1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	840720342	PQBYTIZYSTZDDE-RXWSAZGZSA-N	361.441	4.573	50	20	FJGD	
C[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1ccc(C#N)cc1	916627639	IUJIGIXFJVHEMM-GOSISDBHSA-N	370.456	4.540	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3cccc(Cl)c3)no2)cc1Cl	1320948626	FZPSLZZAVGDGOQ-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1c(Cl)nc2cc(Cl)ccn12	1321860755	MBAGZZRCTUSNKS-XYOKQWHBSA-N	356.212	4.739	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1c(-c2ccccc2)nn(C)c1Cl	1321880387	PBPPCVNOTBTNKP-FOWTUZBSSA-N	361.832	4.839	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Br)c1C	7164358	PEAKCMZPCVSNNG-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2n1C(F)F	23612596	DCKWBMLYMMSTJU-VZUCSPMQSA-N	373.746	4.878	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NNc1cccc(C(F)(F)F)c1	110961085	FMDAFLRFTWANKE-ZDUSSCGKSA-N	364.458	4.863	50	20	FJGD	
CO[C@@H](C)CCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	180897899	RXFXNYKZGHSTCT-TVQRCGJNSA-N	355.809	4.660	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2OC(F)(F)F)oc2c(C)cccc12	190207949	XOOMFGBRGMARDQ-UHFFFAOYSA-N	364.323	4.705	50	20	FJGD	
CC(C)CCOC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	192867259	BNAKALFQZPJTHB-QGZVFWFLSA-N	359.601	4.754	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)c1ccc(F)cc1	193691544	QKVVQZAOVCHJMP-XNTDXEJSSA-N	364.401	4.651	50	20	FJGD	
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)c1nnc2n1CCCCC2	588417567	DNBSFCSAEWPMFP-ZHZULCJRSA-N	370.456	4.744	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	735698844	XRLJLSTXTIRZMW-WDEREUQCSA-N	357.187	4.518	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1ncccc1C(F)(F)F)c1cccc(Cl)c1	749539109	WMOPQGLMCPTKPH-AWEZNQCLSA-N	371.790	4.637	50	20	FJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)c1c[nH]c2cc(F)ccc12	749891053	HQQDHALKKGNNHU-RIYZIHGNSA-N	357.344	4.752	50	20	FJGD	
CCOc1cc(C)ccc1CNC(=O)CCCC[C@H]1CCSS1	757000676	WTIYDNYVXLBECJ-INIZCTEOSA-N	353.553	4.724	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(F)c(C#N)c3Cl)c[nH]c2c1	761387473	WXKDBSPDMBJCDS-QPEQYQDCSA-N	363.779	4.930	50	20	FJGD	
Cc1cccc([C@@H](NC(=O)NNc2c(C)cc(C)cc2C)c2ccccn2)c1	766264439	NUWQVZJDZABTDM-JOCHJYFZSA-N	374.488	4.731	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)c1ccc(F)c(Cl)c1	773144763	LFZHAULNKSISQQ-NTUHNPAUSA-N	365.738	4.913	50	20	FJGD	
CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H](Br)C(C)(C)C)cc1	781071195	TXASYHNVCQFTOQ-JKSUJKDBSA-N	368.315	4.558	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)c1ccc(OC(F)F)cc1	789148022	MFPHXBHQKSEZFF-WQLSENKSSA-N	372.352	4.794	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794690084	FSGFRCGPRPWGND-ZSOIEALJSA-N	361.367	4.803	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(O)cc(C(F)(F)F)c2)c(C)c1	811626064	BGVJWDUWTWNTKN-GIDUJCDVSA-N	374.362	4.882	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)cc1	836791045	YHKUHTVRLUAOAY-GFCCVEGCSA-N	352.356	4.508	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)oc12	915842810	VGKZZGDSKJBEBQ-RAXLEYEMSA-N	352.777	4.640	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC#N)cc2)c(C)n1CCC(C)C	26383949	BKEZDQIQYVAGGN-KGENOOAVSA-N	374.488	4.763	50	20	FJGD	
Cn1nccc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	45110875	YLWPPHSOMQKSHB-UXBLZVDNSA-N	361.257	4.915	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	158304766	LLJGLDCDZICMON-XDJHFCHBSA-N	369.424	4.693	50	20	FJGD	
CCOCCO[C@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186077082	LYLCZBOWXBKNAY-SNVBAGLBSA-N	363.348	4.724	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c1C	211575718	GJEOLYSMFGZMIC-HKWRFOASSA-N	359.473	4.839	50	20	FJGD	
COc1ccccc1/C=C(\C(=O)NNc1ccccc1F)c1ccccc1	255193665	GYGYPTNHCGNDRY-SDXDJHTJSA-N	362.404	4.518	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(Cl)s1	588424946	SEDCLHBMLROKJT-UITAMQMPSA-N	353.186	4.753	50	20	FJGD	
CC(C)(C(=O)NN[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1	732918040	ABCBOSOAIKIPMT-JOCHJYFZSA-N	358.485	4.569	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccc(Cl)cc1Cl	748017769	RMXLYEHNZKGWMD-UHFFFAOYSA-N	374.271	4.844	50	20	FJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(O)c(Cl)c2)C[C@H](c2ccccc2)C1	749857566	BPWQJOSJVDILCZ-XJKSGUPXSA-N	356.853	4.735	50	20	FJGD	
CCSc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	776648745	YDRWSMXCSBDIHM-LCYFTJDESA-N	358.850	4.703	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1ccc2ccccc2n1	777463586	ZAGASBCQIBXUNZ-UHFFFAOYSA-N	367.408	4.820	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1)c1ccccc1	787176455	BUDXEOQDGDFYAP-JCZXDDDQSA-N	355.441	4.718	50	20	FJGD	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	787409158	BGJXPERYOVLQJL-IHCWGGNOSA-N	368.864	4.603	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)C1CCOCC1	789148170	OZHPQUSWDKBNOH-UYRXBGFRSA-N	351.833	4.910	50	20	FJGD	
COc1cc(NNC(=O)C2(c3cccc(Cl)c3)CCC2)ccc1Cl	790177702	KAOIQSLACRRHJU-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccnn3-c3ccc(F)cc3)c[nH]c2c1	794875672	VCAFJTLXVZNCGR-RVDMUPIBSA-N	370.387	4.591	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@H](CO)CC2)cc1	815278267	OIKWUNXPCWZNAJ-LJQANCHMSA-N	363.618	4.803	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)no3)oc12	915863323	ZHLSUBLHSJUOCS-WJDWOHSUSA-N	357.369	4.864	50	20	FJGD	
Cc1ccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	918560411	YWRAKLRBXWBDLY-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2cc(C)oc2C)c1C	1318053730	ATJVLTULURFAFF-MXDDHBLUSA-N	353.466	4.509	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1OC	11333569	FIWGHEAKRCHCSS-MHWRWJLKSA-N	355.821	4.927	50	20	FJGD	
C[C@H]1CCc2c(C(=O)NNc3ccccc3C(F)(F)F)csc2C1	68773432	NWSLZRULMFGYQS-JTQLQIEISA-N	354.397	4.649	50	20	FJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1cnc2cnccn12	157049369	IFFDDXALGXSVFN-CQSZACIVSA-N	372.803	4.561	50	20	FJGD	
CC[C@H](CCO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184426821	FKBRXICUZUUJDJ-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
CCN(CCC#N)C(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186146118	SMQMXCIBBUDOHX-UHFFFAOYSA-N	357.348	4.518	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	212139835	DMBHKMGEOSXSBT-VBKFSLOCSA-N	374.352	4.653	50	20	FJGD	
CC(CCc1cccc(F)c1)=NNC(=O)c1c(Cl)cccc1Cl	727779387	ZWRFUTOYZILESR-UHFFFAOYSA-N	353.224	4.871	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(Oc2cccnc2)c(C)c1	732714883	ZOOFJMPGIWGSLP-RGEXLXHISA-N	363.461	4.786	50	20	FJGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2	732917741	HHUKZHGNBFXROT-ZFDSFTMVSA-N	374.528	4.808	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1F	739426485	MPNBNRZWJWEGGC-PDGQHHTCSA-N	365.452	4.834	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(OC2CCCC2)c1	747590940	NRVXUFFAQINTCB-UHFFFAOYSA-N	364.367	4.784	50	20	FJGD	
CCOc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1OCC	748018817	NQZXOENKWKLCDH-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccc(F)cc3C)ccc2c1	748563093	PYOSUQCOJKLMOE-AWEZNQCLSA-N	352.409	4.543	50	20	FJGD	
N#CCC[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccccc1	749223504	ZNYCSGRMUVCEDB-HNNXBMFYSA-N	363.248	4.665	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1csc2ccccc12	752058767	VGYJMOMKRFBUCN-LERPTODRSA-N	350.418	4.825	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1coc(-c2ccccc2)n1	757423079	UWYQQQUZMIKPOZ-UHFFFAOYSA-N	360.325	4.622	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cccc(Cl)c1F	759648958	RHGVRZITPQFKNA-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
Cc1nc2ccc(NC(=O)NNc3ccc(Cl)cc3Cl)cc2o1	769952723	ZODKOWVMDSJSHR-UHFFFAOYSA-N	351.193	4.592	50	20	FJGD	
CC[C@@H](CC#N)OC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	787089128	BMUORFDGUSQNDN-ZPBCLNFZSA-N	353.466	4.753	50	20	FJGD	
CCCN(N=Cc1ccccc1OCc1ccccn1)C(=O)OC(C)(C)C	794993303	WEEZGGXRSFNAOV-UHFFFAOYSA-N	369.465	4.642	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1Oc1ccccc1C#N	799756161	ZWILFKVTCKHRMU-UHFFFAOYSA-N	371.440	4.978	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)c1ccc([N+](=O)[O-])cc1	799889953	VRIKNSWSAVTUOB-JXMROGBWSA-N	365.133	4.700	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(OCCCCl)cc2)nc2ccccc21	811685846	DRGKYADZGISFJE-SSZFMOIBSA-N	351.837	4.645	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](CCO)CC1	817696973	JMIPPXCNTATBOI-LBPRGKRZSA-N	373.387	4.969	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CCC[C@@H]2C[C@H]12	841610651	KQNAPTOUNFMFJR-YPMHNXCESA-N	359.882	4.557	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc(-c3cnccn3)no2)c(C)n1C1CCCCC1	841738505	OHKMRSFEBIMOBK-BOPFTXTBSA-N	374.448	4.514	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ncccc2C)c1C	843074389	MDVYEZSELIJFQE-MOSHPQCFSA-N	370.456	4.652	50	20	FJGD	
N#C/C=C(/c1ccc(Br)c(Cl)c1)N1CCC(CC#N)CC1	851918923	FZIJWWLSQRZVSC-XRVIQIRUSA-N	364.674	4.593	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	920991930	RHPDXFDTBOIYRD-QGOAFFKASA-N	372.449	4.895	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CC[C@H](SC)C2)c1C	1252197002	CBNVQXNYXLWSOH-FRKBIFFFSA-N	373.566	4.555	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1	1338037437	GAUYZCVWAULCIH-KGLIPLIRSA-N	358.707	4.813	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2c(Cl)cccc2Cl)c1C1CC1	89854141	QZEMSKWASGYNGX-JTQLQIEISA-N	367.280	4.795	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1cccc(C(F)(F)F)c1	141359843	OFMZGSJJVRYSTK-IZZDOVSWSA-N	363.364	4.585	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1OC(F)F	176919585	SNBJXRWNHDOBDU-WUXMJOGZSA-N	350.390	4.941	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1	182959924	BKSTWCJUELUTLO-FOWTUZBSSA-N	359.360	4.559	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1C1CC1	276835133	ITARJTCKPWZLAM-SNVBAGLBSA-N	367.280	4.795	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1c(Cl)cccc1Cl	588421261	IRJBJDKYRCULSW-VURMDHGXSA-N	368.201	4.509	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CCC[C@H](C(F)(F)F)C1	729514497	GOBBRILBHSGVHB-QWRGUYRKSA-N	371.790	4.700	50	20	FJGD	
CC[C@@H]1CCCC(=NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C1	734978179	WMJURYXHNAZUSP-MRXNPFEDSA-N	360.498	4.806	50	20	FJGD	
C[C@@H](CCNC(=O)NNc1ccccc1)c1cccc(C(F)(F)F)c1	746423427	ZLWQYWXLPOVZKT-ZDUSSCGKSA-N	351.372	4.525	50	20	FJGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746896619	NFQYORMPFRRTDA-CYBMUJFWSA-N	361.367	4.522	50	20	FJGD	
O=C(NNc1ccccc1Br)c1ccc(-c2ccccc2)cc1	748058761	MKFLBIOIWNGYIU-UHFFFAOYSA-N	367.246	4.873	50	20	FJGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1cc(Cl)ccc1Cl	752809884	CAUWCVLAULSAIN-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3sccc3c2)cc1	752948758	BAFHSRICXNNUMV-WOJGMQOQSA-N	362.454	4.523	50	20	FJGD	
C[C@H]1[C@@H](C)N(C)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752977293	OWJKCNPRDFBVMJ-MNOVXSKESA-N	373.391	4.900	50	20	FJGD	
CCCCCOc1ccc(C(=O)NNc2ccc(C#N)c(Cl)c2)cc1	753303866	UBZUCXTWUBNMRF-UHFFFAOYSA-N	357.841	4.538	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	765908568	ZUHFUPGZYQZNCA-QQJLWGBUSA-N	357.256	4.745	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3c[nH]nc3-c3c(F)cccc3F)[nH]c12	768490155	NKHYBWUCZOZKDW-WQLSENKSSA-N	361.355	4.604	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(Cl)cc2Br)ncn1	773173655	SVWVDRJJQZMKPB-ONNFQVAWSA-N	366.671	4.679	50	20	FJGD	
CC1(C)CCCC[C@@H]1NCCP(=O)(c1ccccc1)c1ccccc1	775681605	CXDVOKGRLMZXJR-NRFANRHFSA-N	355.462	4.559	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	780373780	HEDAPGNPVYMXGN-LFIBNONCSA-N	355.315	4.507	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(Cl)c1OC	783687841	OIUQRPNTMRHPSE-YFHOEESVSA-N	368.241	4.862	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc2cccc(OC)c2o1)c1ccccc1	787145315	PSHRCVKJJHTLMW-UMEYKSNOSA-N	360.413	4.616	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCSc2ccccc21	791725884	AWNUOQSZLZXNNM-CQSZACIVSA-N	353.274	4.716	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@H]1N	841178687	GMLJGFRLGJPDLT-JOYOIKCWSA-N	359.364	4.545	50	20	FJGD	
CC(C)(C(=O)O)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	859810513	PVOQDFAVDZVCSG-UHFFFAOYSA-N	361.869	4.669	50	20	FJGD	
CCO/C=C(/C#N)c1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1	1118133411	DWCREUTVIQYSRM-PEZBUJJGSA-N	368.396	4.853	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)cc1	1776697729	OVFMZAXOEZQOSS-MFVBVHDHSA-N	366.392	4.583	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccc(C#N)c(Cl)c1	129710461	NWPZFNZWJWUODN-UHFFFAOYSA-N	366.273	4.734	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1cccc(O)c1)CC1CC1	175645722	VVYYDPYERJDJMU-SFHVURJKSA-N	365.564	4.845	50	20	FJGD	
CN1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184433490	CNUQUJGKVVMECZ-UHFFFAOYSA-N	359.364	4.560	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(C)c1O	213101649	IETMXWICPVUDET-QPEQYQDCSA-N	361.228	4.862	50	20	FJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1nccc2sccc12	734250179	PDDHNFUNWSPQMX-SNVBAGLBSA-N	363.895	4.574	50	20	FJGD	
C=CC[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1ccncc1	734681094	YCOQTDUVEHGCAM-QFIPXVFZSA-N	372.472	4.620	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2[nH]c3c(c2c1)CCCC3	746695637	OJCCKYOSZYKAII-UHFFFAOYSA-N	357.816	4.596	50	20	FJGD	
CN(Cc1cccc(C(F)(F)F)c1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750037747	BEYBDZDLQHJOAP-MFOYZWKCSA-N	361.323	4.610	50	20	FJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1nccc2sccc12	752803163	CJNPFBZXELXRSH-UHFFFAOYSA-N	363.895	4.819	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(Cl)c(Cl)c1	754148471	KDHDOBSHRKPDIZ-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NN=Cc1cccn1Cc1cccs1)c1cccc2ccccc12	755743182	KTNRUNIRNMKPBB-UHFFFAOYSA-N	359.454	4.515	50	20	FJGD	
CC[C@H]1CCCC1=NNC(=O)c1ccc(NN=C2CCC[C@@H]2CC)cc1	758362434	TUJXBVWJMYFMHP-HOTGVXAUSA-N	354.498	4.961	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc3[nH]c(-c4cccs4)nc23)c1	759971772	WOSGOZYRCLOASP-UHFFFAOYSA-N	362.458	4.665	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(Cl)nc3Cl)c[nH]c2c1	761477352	NBZUCAFYPANCON-KPKJPENVSA-N	356.212	4.968	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Br)cc2)s1	764321702	ZLPUECOQHOHYKP-UHFFFAOYSA-N	353.285	4.565	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	764892304	VPBFNJNVIDLFOQ-ATVHPVEESA-N	358.353	4.953	50	20	FJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3nccnc3C(C)C)o2)c1	772871196	RIYHWUWXYKIAOY-UHFFFAOYSA-N	364.449	4.740	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143761	FFTAQWWBWVBASP-IZZDOVSWSA-N	355.237	4.913	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(-c3ccncc3)ccc2OC)c1	773909242	OWCJBFGGIAPCBI-DEDYPNTBSA-N	370.408	4.556	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc(Nc2ccccc2)c1	775271116	AMTQPTQLJZIIPL-UHFFFAOYSA-N	373.243	4.889	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1OC(F)(F)F)c1cnc2ccccc2n1	789148886	ULLMOJAQVIDJCD-FLIBITNWSA-N	359.282	4.732	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1F	791726920	OMFISHOHTQBRHS-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
C[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1ccc(Br)cn1	808755952	RDWHCXXTJPSCPZ-GFCCVEGCSA-N	359.384	4.517	50	20	FJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)C(C)(C)F)c2C)c1	840735699	RRMDCMQHWQHXJD-ZDLGFXPLSA-N	352.409	4.521	50	20	FJGD	
Cc1cc2occ(CC(=O)NNc3ccc(F)cc3F)c2cc1C(C)C	876971219	CZAAUFLVKPGBGS-UHFFFAOYSA-N	358.388	4.829	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	104751740	GNDZZSSBSKTKKQ-AQTBWJFISA-N	364.445	4.728	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1cccc(C)c1	194211112	NJFVGFDDZJKNKQ-UHFFFAOYSA-N	354.475	4.711	50	20	FJGD	
C/C(=C/C(=O)NNc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	216293903	JGXXBAVZRAQDIF-LUAWRHEFSA-N	354.759	4.905	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)c3ccc(F)cc3)c(Cl)nc21	255144496	PBOVZOHCNIMIFO-AUWJEWJLSA-N	368.799	4.595	50	20	FJGD	
Cc1cn2c(/C=C(/C#N)c3nc4cc(F)ccc4s3)c(C)nc2s1	730151073	PTWOTTAJQHWKRR-WZUFQYTHSA-N	354.435	4.826	50	20	FJGD	
O=C(NNc1cnnc2ccccc12)c1cc(-c2ccccc2)ccc1Cl	733808880	LIPFZXMUUJWUCE-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)c1cccc2ccccc12	741465600	PYTUFIXBBCQILN-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cnc(-c3ccccc3Cl)s2)c1	748402837	UPVSAOUCPUVLHL-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
Cc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1Oc1cccnc1	749823463	KOLGSIKKDYJQJL-UHFFFAOYSA-N	371.396	4.692	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(/C#N)c1nc(-c2ccccc2)no1	759116468	HAIJCWOZKHDCEK-GDNBJRDFSA-N	366.218	4.872	50	20	FJGD	
CC(C)(C(=O)NN=Cc1ccc(F)c(Cl)c1Cl)c1ccccc1	761807741	TXWAUTUZCQMXGZ-UHFFFAOYSA-N	353.224	4.560	50	20	FJGD	
CO[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1Cl	763814538	NVWQVWWDKSQVJU-CJNGLKHVSA-N	373.971	4.858	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(Oc2ccncc2)c1	770026889	JDYVTXKRFIUTOK-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	775639898	ZTIDDLGUHUDFOL-WQLSENKSSA-N	363.747	4.740	50	20	FJGD	
N#C/C(=C\c1ccccc1Br)C(=O)c1ccc(Cl)s1	783686952	CFLGHGDVMZGNLJ-JXMROGBWSA-N	352.640	4.954	50	20	FJGD	
Cc1cc(C)nc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	786741038	JQTZCZDCAJAYJP-AZDDOORDSA-N	367.499	4.701	50	20	FJGD	
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547086	IZTNESOUZCNONZ-UHFFFAOYSA-N	371.287	4.843	50	20	FJGD	
Cc1c(C(=O)/C=C/c2ccc(OCCCCl)cc2)c(C#N)c2n1CCC2	811689834	NCIWDILTYRIMSB-JXMROGBWSA-N	368.864	4.518	50	20	FJGD	
O=C(NC[C@H](O)C1CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	836511472	GCMCWRDDWWKDKD-LBPRGKRZSA-N	360.348	4.627	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cncn2)c(F)c1)c1nc(-c2ccccc2)cs1	844244331	PQAPCENTTNRFIJ-PXNMLYILSA-N	373.416	4.594	50	20	FJGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377060	MERZNUNCVXOMDY-UHFFFAOYSA-N	371.790	4.943	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1	912634664	SDPNXHZEJHOCLU-UHFFFAOYSA-N	357.413	4.869	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)Nc1ccc(Cl)cc1	913615166	ASHHLBVIEKPFFP-YHYXMXQVSA-N	367.655	4.710	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2cccs2)C(C)C)c1C	920000452	FQZFNDBWFOABFD-UNOMPAQXSA-N	369.534	4.921	50	20	FJGD	
CC1CCN(C[C@H](C)c2nnc(CCCC[C@@H]3CCSS3)o2)CC1	1118132611	VROXLARTWURGPF-JKSUJKDBSA-N	369.600	4.772	50	20	FJGD	
Cc1ccc(NNC(=O)c2csc(-c3ccccc3C)n2)cc1Cl	1318222325	LSXDZBJDGVSCTN-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccn2C2CC2)c(C)n1CC(F)(F)F	1345075943	AUZBPVPRQNMORE-ZROIWOOFSA-N	361.367	4.594	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(O)c(C(=O)O)c2)CC1	1776779085	PRISKMGUHQQXGX-BOPFTXTBSA-N	355.434	4.563	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	7713940	KDEJSHQLUTWSIB-XMHGGMMESA-N	366.424	4.562	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1F	7907461	UOSJUUGLDCYGSA-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cccc(OCc3ccccc3C#N)c2)n1	66860409	GXCVCAJAHWNVEZ-OCKHKDLRSA-N	357.438	4.966	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	128706664	LJMUSNRMXMAHGV-RVDMUPIBSA-N	367.474	4.745	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1	158739823	UDGLIUAEZWLSRI-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCOC1	274016767	MIOPCRFREKDHOV-VHSXEESVSA-N	360.348	4.891	50	20	FJGD	
CCCOc1c(C=NNC(=O)[C@H](CC)c2ccccc2)cccc1OCC	731931628	MAIHKEWXYKBNEV-LJQANCHMSA-N	368.477	4.518	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CCC(C)(C)C)c1C	736052908	MJIJZMAVGNNQNA-IYPWMDMUSA-N	373.541	4.550	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744502157	NEHDVKZSBPKJGD-PUMYGXPMSA-N	373.412	4.565	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1C	748685451	QDGMEKXDWJQZNM-WCEBZYJUSA-N	361.445	4.598	50	20	FJGD	
C=Cc1ccc(C(=O)NNc2ccc(Br)cc2Cl)cc1	760469238	REASZZYXPUFDBF-UHFFFAOYSA-N	351.631	4.502	50	20	FJGD	
O=C(NC[C@H](O)c1ccco1)Nc1cccc(S(F)(F)(F)(F)F)c1	762967894	DSVIXOQCQSJMGN-NSHDSACASA-N	372.315	4.792	50	20	FJGD	
C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn(C)c1	762977817	FPAKANPVDBFLOY-SECBINFHSA-N	370.347	4.960	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1c[nH]cc1-c1ccccc1	768008631	AVXZKABTEYSZJJ-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)c2cccc(F)c2)cccc1OCC	772179510	QWMAUKYTHAQCTC-SFQUDFHCSA-N	353.393	4.803	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)ccc1OC	773155672	WIQPSHVEAWUEGD-RIYZIHGNSA-N	359.784	4.676	50	20	FJGD	
C=CCSc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	776724780	YNBIFTXIJMJPRQ-UHFFFAOYSA-N	352.381	4.740	50	20	FJGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)c1c(Cl)cccc1Cl	783512821	FOSXFYJTCDPMSI-QMMMGPOBSA-N	353.171	4.832	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccsc1)c1ccc(Cl)cc1Cl	787148582	VURRGCGIUKDQLH-PQTFEYQYSA-N	351.258	4.839	50	20	FJGD	
COc1c(CNC(=O)CCCC[C@H]2CCSS2)oc2ccccc12	789245122	MGEZMCOUCBXSNZ-ZDUSSCGKSA-N	365.520	4.772	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2ccc(N(C)C)cc2C(F)(F)F)sc1C	794942045	GRSMMWQHGJJYBZ-NTUHNPAUSA-N	351.397	4.909	50	20	FJGD	
CCCN(N=Cc1c(C)nn(Cc2ccccc2)c1C)C(=O)OC(C)(C)C	794995652	LYIZNAIPIIUZDJ-UHFFFAOYSA-N	370.497	4.529	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)C(=O)c1cccc(F)c1	799893692	VNNMASOHJLCPHH-YFHOEESVSA-N	366.136	4.656	50	20	FJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1	817015165	OQHBUSKVMVSEJI-UHFFFAOYSA-N	368.302	4.851	50	20	FJGD	
Cc1nnc([C@H](C)N2CCC(CO[Si](C)(C)C(C)(C)C)CC2)s1	844344529	AQMUFQINGCLKNO-ZDUSSCGKSA-N	355.624	4.641	50	20	FJGD	
CC(C)[C@@H]1CNCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	859677564	KLILGORKPPRJGX-ZDUSSCGKSA-N	373.391	4.806	50	20	FJGD	
C[C@H](Sc1ncccc1Cl)C(=O)/C(C#N)=C1/Nc2ccccc2S1	913608941	MGKKRKZTVJDATQ-WSJCWXPMSA-N	373.890	4.738	50	20	FJGD	
Cc1ccc(SCC(=O)NN=Cc2c(Cl)cccc2Cl)cc1	916346242	ZGQGXVAFKHDZSB-UHFFFAOYSA-N	353.274	4.544	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccc(Cl)cc2Cl)c1	916612793	CKYQWDOGKMDFIO-AUWJEWJLSA-N	362.212	4.652	50	20	FJGD	
O=C(NN=C/C=C\c1ccco1)c1cc(-c2ccco2)nc2ccccc12	920364070	OBYPUBQLHCNBQF-QXYZRQHSSA-N	357.369	4.517	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)c2nc(C(=O)OCC)cs2)cc1	920387923	QWPOQNKFYVMZMZ-RVDMUPIBSA-N	356.447	4.563	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ncc(-c3ccccc3)[nH]2)cc1	1318451351	VPIZJYRYGPTNMJ-RGEXLXHISA-N	370.456	4.965	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3ccc(C#N)cc3)o2)c(C)n1CC(C)C	1325782809	HPFYIOURKFQTLK-JMIUGGIZSA-N	371.444	4.747	50	20	FJGD	
N#Cc1cc(NC(=O)CCl)ccc1Oc1ccc(C(F)(F)F)cc1	1336909418	AWBIFEHHENZMQQ-UHFFFAOYSA-N	354.715	4.547	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H]1C1CCOCC1	1551762136	LSKNMTPVVMMXRJ-CQSZACIVSA-N	371.371	4.985	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2Cl)c1	8237461	PEOJFJWKFFBJGK-GZTJUZNOSA-N	353.805	4.555	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c1OC	48304255	RIUWAUTYMWHAEX-XFXZXTDPSA-N	362.212	4.800	50	20	FJGD	
CC(C)(C)n1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1	63279196	CQSOXGKYNBUWPA-IUXPMGMMSA-N	359.458	4.697	50	20	FJGD	
CC(C)OCCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	75899056	NOHASHSSUYDICR-CYBMUJFWSA-N	355.809	4.660	50	20	FJGD	
Cc1cc(NNC(=O)c2c(Cl)cccc2Cl)ccc1Br	120869467	WBTIVDMGCNULMF-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc2cnn(C(C)C)c2nc1Cl	128118465	QLQHDQDSKIIEMY-MLPAPPSSSA-N	370.865	4.825	50	20	FJGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1c(Cl)cccc1Cl	133084217	NARSJTAQHNZROM-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
CCC(CC)[C@@H]1C[C@H](NC(=O)CCCC[C@@H]2CCSS2)CCO1	183430657	XUGHAKJAOKIHOU-ZACQAIPSSA-N	359.601	4.801	50	20	FJGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	190178876	WTSLEKVBYFPLDV-UHFFFAOYSA-N	368.355	4.519	50	20	FJGD	
C#CCSCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192262656	ARFQPHGVVMSPQX-UHFFFAOYSA-N	360.373	4.832	50	20	FJGD	
Cc1csc(/C(C#N)=C\C2=Cc3cc(Br)ccc3OC2)n1	193862913	XDJLNGAMRJTIHA-ACAGNQJTSA-N	359.248	4.597	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)ccc1O	213183408	GLRGRQJCAVRDNQ-WQLSENKSSA-N	362.212	4.888	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2ccccc2OCc2ccccn2)ccc1[N+](=O)[O-]	255324761	ALLOEFQCHAIIKY-UYRXBGFRSA-N	371.396	4.941	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C#N)c1	731319348	PBVSSOGSQLRNDV-RGVLZGJSSA-N	368.392	4.829	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)cc1	734305312	QCGVNHUEEUAOQQ-ODLFYWEKSA-N	373.481	4.650	50	20	FJGD	
CC(C)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccco1	746109480	QLKRFEQWAWWGGU-UHFFFAOYSA-N	367.429	4.504	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)cc1Cl	747695094	GYMPKIASVSTJCI-BKLDTBNZSA-N	356.784	4.590	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)ccc2Br)s1	761177903	WVECJLBVQXWYHP-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1c(Cl)cccc1Cl	763615990	MDLKBLHBEFCBEY-HJWRWDBZSA-N	364.257	4.760	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)c2cc(SC)ncn2)cc1	773176906	RJJZSDNMSNHOPP-GZTJUZNOSA-N	359.454	4.938	50	20	FJGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c1	776266576	RVEDKPXYPMOTDX-LFIBNONCSA-N	355.340	4.643	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1	780802390	LQEXKQCXZNIVHA-UHFFFAOYSA-N	358.392	4.555	50	20	FJGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)Nc1cccc(Cl)c1	781946184	BJBFEEIDXHOICJ-UHFFFAOYSA-N	366.035	4.844	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@@H]1O	806400790	FFQHQGMJDHFVLT-SKDRFNHKSA-N	360.348	4.579	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	811490924	WBRVIJXQEMBXBW-TZIWHRDSSA-N	359.897	4.704	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812247186	ZZWRHJAXBXLKKP-XNTDXEJSSA-N	368.362	4.967	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@H]1N	841179518	OTXNICFZJBEJIF-ZWNOBZJWSA-N	373.391	4.935	50	20	FJGD	
CC[C@@H](C)N(CC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	850501109	KFEGSKAYAWZYFO-SNVBAGLBSA-N	374.375	4.930	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)c3ccccc3)cs2)cc1	920063136	ZLTOAYHIDKMUAQ-BOPFTXTBSA-N	360.438	4.820	50	20	FJGD	
N#C/C(=C/c1ccccc1OC1CCCC1)C(=O)c1ccc2c(c1)OCO2	920067828	DDMMVSPEWLJXPV-BOPFTXTBSA-N	361.397	4.527	50	20	FJGD	
CC(C)(C)CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ccc(Cl)cc1	1776099366	CUPCQDITZSFFJU-UHFFFAOYSA-N	372.852	4.609	50	20	FJGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)s1	6958854	SOBVBEABQVPWJF-PKNBQFBNSA-N	350.365	4.875	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1	7167543	ZCIFKUQBCQDWRE-GYZOOYGHSA-N	364.445	4.763	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1sc2ccccc2c1Cl	132325379	XASIIFCAYXBFPY-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1	171148582	NWPFMICTHUIQCX-SFQUDFHCSA-N	355.397	4.640	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3cccc(F)c3)cs2)c1	194528150	SISLMMWUIFLGRO-OQLLNIDSSA-N	364.401	4.748	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2cccc(Br)c2)cc1	195661294	ZRWQOOQCPNYLRT-UHFFFAOYSA-N	365.296	4.707	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)(F)F)cc2)c(C)c1	302911164	MFIHGEFBJYNBSN-XNTDXEJSSA-N	360.335	4.748	50	20	FJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1ccc(Br)s1	730435652	FPWRLWIMNFWBJY-XFFZJAGNSA-N	350.212	4.748	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CC=CCC2)c(C)n1C1CCCCC1	736055325	QNFVPWNEIAQNBK-GRTQGXPSSA-N	351.494	4.742	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(Cl)s1	741771426	LEIKJHKDRCYUGY-UHFFFAOYSA-N	359.785	4.549	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)C1CCC(c2ccccc2)CC1	743482029	APJPLTDMYNSBMD-UHFFFAOYSA-N	363.383	4.518	50	20	FJGD	
Cc1cccc(NC(=O)NNc2nc3cc(C(F)(F)F)ccc3s2)c1	743814194	XOHVTWJIRVFZDB-UHFFFAOYSA-N	366.368	4.772	50	20	FJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1F	746107742	NTIHKENWKMQJSE-UHFFFAOYSA-N	367.404	4.666	50	20	FJGD	
O=C(CCSc1ccc(Cl)cc1)NNc1ccc(OC(F)F)cc1	748660005	XNGUTKZBOQXTFY-UHFFFAOYSA-N	372.824	4.567	50	20	FJGD	
COc1cccc(C(C)(C)CNC(=O)CCCC[C@@H]2CCSS2)c1	749994009	VDDLTCVLBHOJDY-QGZVFWFLSA-N	367.580	4.803	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncn1	758916405	QPRAJSMKGWKGHW-ATVHPVEESA-N	367.387	4.533	50	20	FJGD	
CC(C)C1(O)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	765340903	ZAWXBMPITHWFGW-UHFFFAOYSA-N	360.348	4.579	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1csc(-c2ccncc2)n1	765964080	DASDQNKZHOOGRP-ZDUSSCGKSA-N	365.549	4.858	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773160244	NEKHQSZXMKWNDY-IZZDOVSWSA-N	365.330	4.655	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc2ccc(F)cc2c1C	777481849	KLZWFFCPCRGIBM-UHFFFAOYSA-N	365.433	4.962	50	20	FJGD	
Cc1cc(C)nc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	786741039	JQTZCZDCAJAYJP-DVDIPCOMSA-N	367.499	4.701	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1)c1ccccc1	787145092	OUZLBWNKCKJACX-QEQIRTOISA-N	367.452	4.923	50	20	FJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2cc(F)c(F)cc2F)c1	790000601	GYSBUUHRXOZAQA-GFCCVEGCSA-N	366.383	4.530	50	20	FJGD	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCSSC	790882182	JYHOVUSYVYKNEC-UHFFFAOYSA-N	353.340	4.536	50	20	FJGD	
Cc1cc(O)nc2cc(C(=O)Oc3ccc([N+](=O)[O-])c4ccccc34)ccc12	808534567	QQMJZZCNVVAELQ-UHFFFAOYSA-N	374.352	4.529	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1)c1cc(C(F)(F)F)ccn1	812247918	AISVRQQNVLCDNM-WDZFZDKYSA-N	353.141	4.927	50	20	FJGD	
N#C/C(=C\c1csc(Br)c1)c1cc(C(F)(F)F)ccn1	812248159	FVKIAJUHIHDXJO-YCRREMRBSA-N	359.170	4.989	50	20	FJGD	
CCC[C@H](CC1CCCCC1)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	819552059	PCPIZJLRZJDJNY-QGZVFWFLSA-N	374.529	4.610	50	20	FJGD	
C[C@]1(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)C[C@@H]1Br	851856705	ZKPNMZRMOLVYMM-YESZJQIVSA-N	365.702	4.588	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)C2CC2)c1C	881478883	WQGUBFLZFKNOFH-STZFKDTASA-N	361.489	4.613	50	20	FJGD	
Cc1ccc(-c2nnco2)cc1NC(=O)CCCC[C@H]1CCSS1	58326920	UVWMWVPGUMHCOO-AWEZNQCLSA-N	363.508	4.698	50	20	FJGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)ccc1OC(C)C	181124096	ADKCNJXQQOFPTL-UHFFFAOYSA-N	356.466	4.537	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1OC(F)F	194531932	HKAKUXKZJLHGGR-RIYZIHGNSA-N	361.319	4.616	50	20	FJGD	
CC(CCC(C)C)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	254306968	CUPDSHBEWRQIKO-UHFFFAOYSA-N	368.506	4.937	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)s1	588424593	BTYVVOIHILBGHM-UITAMQMPSA-N	353.186	4.753	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)[C@H](C)CC)ccc1OCC(F)(F)F	726427929	BFDSTQDWYHBYIA-UGMNDJHYSA-N	355.356	4.549	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1C	730439148	AFIFSFHCNUUYBO-MDWZMJQESA-N	363.280	4.739	50	20	FJGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1nccc2sccc12	734248663	ZBOCEVKGDMDNKP-ZDUSSCGKSA-N	369.490	4.504	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@@H]1CCCC[C@H]1C	748672394	GFRAWZXRBYJMGR-RDTXWAMCSA-N	360.523	4.918	50	20	FJGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)c1ccccc1C(F)(F)F	748763018	NQFADMJYRARHTN-GFCCVEGCSA-N	359.351	4.500	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCCOc2ccccc21	749864341	VXTYQGCGJUUBBN-HOCLYGCPSA-N	351.537	4.731	50	20	FJGD	
Cc1cc(C)c(NS(=O)(=O)c2ccc(CCCl)cc2)c(Cl)c1	763510883	UNTJGYFASCMZQA-UHFFFAOYSA-N	358.290	4.539	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1SCCS1	770264824	ZWEWQFMWQXZJSE-NSHDSACASA-N	373.874	4.651	50	20	FJGD	
N#C/C(=C\c1cscc1Cl)C(=O)Nc1ccccc1C(F)(F)F	771842314	RBADIJYEYODQCQ-WEVVVXLNSA-N	356.756	4.966	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccnc2SC(F)(F)F)cc1	780809663	XHKHMKGXQFBIJV-UHFFFAOYSA-N	369.412	4.748	50	20	FJGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1F	783848354	GALLDOMCNBJCNM-UHFFFAOYSA-N	351.208	4.796	50	20	FJGD	
CC(C)[C@H]1CCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	785316948	XSSDFXGHDUWYLP-GFCCVEGCSA-N	372.359	4.539	50	20	FJGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1nc2ccccc2n1C(F)F	785350155	FQUQCOOLTVVSET-LKKYZFDUSA-N	367.355	4.643	50	20	FJGD	
Cc1cccnc1NNC(=O)Nc1cccc(Cl)c1SCC(F)F	792316238	STUNJLFXHYSWAS-UHFFFAOYSA-N	372.828	4.549	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)c1	793707483	XTMLJYJJJWFYIQ-UHFFFAOYSA-N	369.465	4.716	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1F	799893530	RQAFLCZCYYJXEA-XGICHPGQSA-N	350.176	4.931	50	20	FJGD	
Fc1cccc2c1OCCC[C@H]2NCc1ccc(OCCCCl)cc1	811487044	LAMDMALAGOAEGW-LJQANCHMSA-N	363.860	4.837	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(C(C)(F)F)cc2)ccc1Br	815854902	VTYMKOAEJQPWOC-UHFFFAOYSA-N	369.209	4.626	50	20	FJGD	
CN(Cc1cccc(S(F)(F)(F)(F)F)c1)Cc1nnc2n1CCC2	891545551	NHSKAENUVMKAOE-UHFFFAOYSA-N	368.375	4.514	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	912642852	YYELOOSSQIXZNB-UHFFFAOYSA-N	366.383	4.887	50	20	FJGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(-c2cnco2)cc1	917390234	JCMNPDDRVMDJFG-UHFFFAOYSA-N	369.424	4.693	50	20	FJGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)s1	919763430	BBUGXDASJBJQDI-DZGUVLCISA-N	369.534	4.915	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	920240724	BEROFZAFKKFCRF-UYRXBGFRSA-N	360.457	4.953	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC#N	7211523	TXHYGKWAZADWOY-QGOAFFKASA-N	374.440	4.685	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCCCC#N)c2)c(C)c1	102598528	XRSQUIYZUZRZPV-CPNJWEJPSA-N	359.429	4.532	50	20	FJGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261155	BHNWKIIBUXKWPX-QMMMGPOBSA-N	361.336	4.543	50	20	FJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccc(Br)s1	730437085	XFUPDIJDFZSCGV-UXBLZVDNSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@H]1C[C@@H]1c1ccc2ccccc2c1	734250367	WOAVMIJKSLSMHG-MSOLQXFVSA-N	359.454	4.696	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1F	739427625	WLDWCGCRYASHKN-PTNGSMBKSA-N	371.843	4.871	50	20	FJGD	
Cc1cc(O)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	748079432	BYENLQGWRGGXGM-UNOMPAQXSA-N	365.477	4.711	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1cccc2c1CCCC2	748586133	XCCJETTUTBWSRQ-OAHLLOKOSA-N	350.553	4.723	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)ccc1OC	749454218	ZHNLGLYVHHKGJM-CLXYIWAZSA-N	365.429	4.671	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1csc2ccccc12	752058770	VGYJMOMKRFBUCN-QQFZQELXSA-N	350.418	4.825	50	20	FJGD	
CC(C)(C)O[C@H](C(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1	754087298	LWMPDJZYEIOQBO-INIZCTEOSA-N	366.383	4.705	50	20	FJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1	767905129	LFJPQHJVGBADCA-UALBVZTRSA-N	369.465	4.551	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1	772805008	DSGDYKXTENZRKS-AWNIVKPZSA-N	359.282	4.959	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1	776617662	YILOEWGEQKFYPL-JCMHNJIXSA-N	368.436	4.528	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1c1ccccc1Cl	781079409	JBKCMJFXXPMNOF-UONOGXRCSA-N	358.707	4.813	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)nc1	797785796	UKOREZZTCNCBOD-RGEXLXHISA-N	368.440	4.704	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)c1cc(C(F)(F)F)ccn1	812247098	ZCLXDQNOCGZWMB-BJMVGYQFSA-N	351.690	4.829	50	20	FJGD	
CCOC(=O)Nc1ccc(NC(=O)NNc2c(C)cccc2C(C)C)cc1	812921535	MLZDBUVMRIWQRZ-UHFFFAOYSA-N	370.453	4.835	50	20	FJGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	814770333	ZXKSMIAQZRQEPK-OAHLLOKOSA-N	369.465	4.990	50	20	FJGD	
O=C(NN=C1CC(c2cc(F)cc(F)c2)C1)c1ccc2ccccc2c1	814810207	CFUVOTPRPJRVMD-UHFFFAOYSA-N	350.368	4.781	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)c(Cl)s2)cc1	1776127399	RSQLHOGLJCNKEN-MDWZMJQESA-N	359.834	4.842	50	20	FJGD	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)c(Cl)cc1OC	7158592	ZCPKBKNCYDXLIK-XNTDXEJSSA-N	370.836	4.601	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(OCc2ccccc2F)CC1	91868279	OOUORYQKZVWDEK-NKVSQWTQSA-N	354.400	4.510	50	20	FJGD	
Cc1cc(C(=O)NNc2ncccc2Cl)sc1-c1ccc(F)cc1	114884288	LERPKSJKMHOAQK-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1F	195502835	LVSFLOSXCOIHTK-CXUHLZMHSA-N	361.401	4.894	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1O	214172679	SCJSIVXZEJCTMV-QPEQYQDCSA-N	366.804	4.634	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3csc(-c4ccc(F)cc4)n3)nc12	741474348	XPFUMWRHUQWPJC-JYRVWZFOSA-N	361.405	4.593	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(NC2CCCCC2)cc1	746190338	IXEUPEYVLGBEIL-UHFFFAOYSA-N	374.916	4.736	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	750795641	JVZMLYXWRYMAAU-BAOGCXAUSA-N	374.419	4.620	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3cccc(C(F)(F)F)c3)c2)cc1	758243153	CIYVPKFODSSUBS-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1C(C)(C)C	758418582	QGUNVIASHNRGGC-VBKFSLOCSA-N	359.429	4.861	50	20	FJGD	
O=C(NN=Cc1nc2ccc(F)cc2s1)c1c(Cl)cccc1Cl	761807303	IPTKEMZJPVBGFN-UHFFFAOYSA-N	368.220	4.506	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C[C@@H](C)c1cccc(Cl)c1	763354097	LRIMBKTTYHGVHA-LLVKDONJSA-N	351.233	4.521	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1C	772174925	DHXZQJFGWPXVMW-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	782370329	TWGKYDPJWQXHSM-BPKVKKHESA-N	370.330	4.786	50	20	FJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2cccc3cnccc23)c1	790000043	AHWUUFOMVMXXGU-MRXNPFEDSA-N	363.461	4.661	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3c(F)ccc(O)c3F)n2)cc1	794937923	NKFGCHIWBQCZIO-XYOKQWHBSA-N	370.380	4.867	50	20	FJGD	
CNc1nc(C)cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	807250659	JGCFREHXJUVPIA-UHFFFAOYSA-N	368.331	4.736	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1sccc1Br	812765034	SRJMTTATBNWFJM-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Cl)nc(N2CCCC2)c1	812768899	MGHWNYSAGQZMJM-UHFFFAOYSA-N	372.900	4.524	50	20	FJGD	
N#C/C(=C\C1=Cc2cc(Br)ccc2OC1)C(=O)c1ccccc1	920062947	JEZRSISEBRRUFH-CXUHLZMHSA-N	366.214	4.558	50	20	FJGD	
Cc1ccc2[nH]c(C(=O)NNc3nc4ccccc4cc3C)c(Cl)c2c1	1116496808	UJEMLKZZHMXSAN-UHFFFAOYSA-N	364.836	4.743	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3cccc(CC(=O)O)c3)cc2)o1	1777433674	TUKASSWRXARERJ-JAIQZWGSSA-N	371.392	4.672	50	20	FJGD	
Cc1ccc(C(=O)O)cc1C(=O)/C=C/c1ccc(OCCCCl)cc1	1777436214	UQKBDADGPVQHNP-UXBLZVDNSA-N	358.821	4.597	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2sccc2C)cc1OC	44028383	UIXUOHGDBGGTQZ-NTUHNPAUSA-N	361.850	4.907	50	20	FJGD	
COc1ccccc1[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	150805448	MMUBVALCOSVAIO-JKSUJKDBSA-N	365.564	4.725	50	20	FJGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)ccc1Cl	178836422	BSWITGDMUFVOIX-UHFFFAOYSA-N	367.792	4.672	50	20	FJGD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	187839044	UIECCYAWIUIWIO-AOOOYVTPSA-N	372.359	4.682	50	20	FJGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)c1ccccc1[N+](=O)[O-]	225721920	YENFICGRYAKZDX-STQMWFEESA-N	355.481	4.913	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3cccc(OC(F)F)c3)nc(O)c2c1C	255580331	LFAKXLGNRMDUFO-SDQBBNPISA-N	373.384	4.679	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3ccccc3)s2)cc1	727263530	CPAKAVIZDUVLAS-ATVHPVEESA-N	359.454	4.918	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2[N+](=O)[O-])cc1	739426407	LREUCKRGCIQNRD-YBEGLDIGSA-N	354.793	4.991	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cnc(-c3cccs3)s2)cc1	751513047	MYEMHYOYCORRFI-UVTDQMKNSA-N	365.483	4.980	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(OCC2CC2)cc1	752811017	PENRYZCFHLPHKD-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1ccc(C(F)(F)F)cn1	754313040	WBKNGFBDWAPTIJ-QWHCGFSZSA-N	363.383	4.533	50	20	FJGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNc1cc(Cl)ccc1Cl	756032254	BLLTZBDADXRSLB-QMMMGPOBSA-N	358.191	4.741	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)cc(F)c1	772177342	UKKIFKZHEZPNJV-LICLKQGHSA-N	352.384	4.745	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F	773149736	JZDFYURIRDARDH-YHYXMXQVSA-N	365.147	4.831	50	20	FJGD	
CCc1cnccc1[C@@H](C)NC(=O)NN(Cc1ccccc1)c1ccccc1	774335479	WODZBZQKISHVKA-GOSISDBHSA-N	374.488	4.626	50	20	FJGD	
COC(=O)Nc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1F	783085997	CWRQOYIXRTWZIH-LBPRGKRZSA-N	372.487	4.657	50	20	FJGD	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	787409165	BGJXPERYOVLQJL-XOTFQPJVSA-N	368.864	4.603	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1	788191563	UCQOITURTKUHSD-UHFFFAOYSA-N	374.412	4.767	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1Oc1ccncc1	800795920	YXWXSLYVHDMBJB-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc1	801813976	ZBYHRZOYSNWLLM-ZROIWOOFSA-N	374.223	4.635	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCn1cc(C#N)c(=O)c2cc(Cl)ccc21	821078410	PYZUQCXCNHXSMB-UHFFFAOYSA-N	362.933	4.548	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H](CCCO)C1	836511127	APTYHAYLPGSEPJ-LLVKDONJSA-N	374.375	4.970	50	20	FJGD	
NC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179981	VKOAZXQXFKJBRN-GXFFZTMASA-N	373.391	4.983	50	20	FJGD	
Cc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1	912596575	NAEBDNWRFWEXAY-UHFFFAOYSA-N	374.469	4.666	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC(C)C)c1C	915284056	PKORVIPZEMVOLL-UYRXBGFRSA-N	365.477	4.848	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(C)ccc1C	915844081	JYGBVTRPDCYFBW-SXGWCWSVSA-N	354.837	4.820	50	20	FJGD	
COc1ccccc1CC(=O)NN=Cc1c2ccccc2cc2ccccc12	920374733	KBEUNEVLLJEEHF-UHFFFAOYSA-N	368.436	4.694	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccccc1Cl)c1cccc(Br)c1	1318899825	CFQJZHHLWFVFEZ-LLVKDONJSA-N	365.658	4.622	50	20	FJGD	
CC(=O)c1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	79075052	RFBQBUYANUBOSV-UHFFFAOYSA-N	359.429	4.633	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(C2SCCS2)cc1	120022189	KZJSJSJAUMIGBE-UHFFFAOYSA-N	370.543	4.801	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OC)c1	125510621	ZPFFHUWVMYPTIK-UGMNDJHYSA-N	355.356	4.549	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1ccc(Br)s1	171671017	HHSCMHXOJYUTHG-WEVVVXLNSA-N	368.639	4.659	50	20	FJGD	
O=C(CC[C@H]1CCOC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	176628451	FTSSZKYJOWJBOZ-HZMBPMFUSA-N	367.820	4.661	50	20	FJGD	
CC[C@H](C)N(CCO)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	287081790	JPDUEZIXBFMNNQ-JTQLQIEISA-N	362.364	4.969	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(F)cc2)c1Cl	726428061	DSMCZEJHDZQUOT-CDCQXCROSA-N	359.832	4.555	50	20	FJGD	
COc1ccccc1-c1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1	741451198	DSVKMDLKSUOTJU-UHFFFAOYSA-N	369.424	4.607	50	20	FJGD	
C[C@@H]1C[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1C	762979418	IZQUEKAIWDZVAY-ZYHUDNBSSA-N	373.391	4.948	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)cc3Br)[nH]c12	767713605	LMETXQYBHQTYCC-GHXNOFRVSA-N	356.198	4.837	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3cc(Br)cc(C)c3o2)c1	768481235	JIWMEZXSADUCKU-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c2ccccc21	769724515	ITVHRZQFPNVPNO-QINSGFPZSA-N	354.413	4.636	50	20	FJGD	
CC[C@@H](C)Oc1cc(CNC(=O)CCCC[C@H]2CCSS2)ccn1	777431872	XBCOCJRTJMBMNC-ZBFHGGJFSA-N	368.568	4.589	50	20	FJGD	
COc1cc(NNC(=O)CCCC[C@@H]2CCSS2)ccc1Cl	790177966	RWDNHIAPBCEJFD-GFCCVEGCSA-N	360.932	4.506	50	20	FJGD	
CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)Cc1nccn1C	792869877	FNPHHPALOKXDNT-UHFFFAOYSA-N	359.590	4.574	50	20	FJGD	
C[C@@H](C(=O)NNc1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1	798499598	BORPPSXVQWCWGU-SECBINFHSA-N	360.738	4.745	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)CCc1nc(C)c(-c2ccccc2)o1	799756332	ZDQQGXDAYKXQOV-UHFFFAOYSA-N	363.461	4.597	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1nccs1)=C\c1ccccc1C(F)(F)F	799888939	KATPDBBWVNBBHR-YGOOLXEZSA-N	363.364	4.654	50	20	FJGD	
CC1(C)CC[C@@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807451226	GPTWJLSDYBGQMO-NSHDSACASA-N	372.359	4.587	50	20	FJGD	
Cc1cc(F)ccc1-n1ccc(C(=O)NNc2c(C)cccc2C(C)C)n1	812766620	SXMPTELXBOXGMY-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C)n(-c2nccs2)c1C	812769353	CMZNVOSZMJBUSI-UHFFFAOYSA-N	368.506	4.739	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc(NCC(F)(F)F)s1	821078632	VZEHPQMFXXXIDX-UHFFFAOYSA-N	373.542	4.626	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(-n3cccn3)cc2)cc1	884220051	FILVZXLEIRMXJK-CYVLTUHYSA-N	355.441	4.960	50	20	FJGD	
CC(=O)N1CC[C@H](CN(C)Cc2cccc(S(F)(F)(F)(F)F)c2)C1	892239993	BWINGUZSRRWSIF-CQSZACIVSA-N	372.403	4.644	50	20	FJGD	
C[C@]1(CO)CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	1320228355	RPELYTICEYBJOB-AWEZNQCLSA-N	374.375	4.970	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C(=O)O)c(Cl)s2)c(C)c1	1776122465	YCDLMVHYKLJQFY-WUXMJOGZSA-N	374.849	4.571	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(C)=O)c1C	24024859	RAVBZHMWDNQXEH-CPNJWEJPSA-N	363.461	4.653	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc2ccsc2[nH]1	29518062	STUXSLNVIWBAFP-UHFFFAOYSA-N	360.653	4.947	50	20	FJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(F)cc3)cc2)cc1	89660313	QTXWIBKLOUQPJN-UHFFFAOYSA-N	364.376	4.578	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1	158957041	LJIWSZLIXOJSFW-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)c1cccc(F)c1	194534201	AATAQWGFILVODU-XNTDXEJSSA-N	364.401	4.651	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c2c(c1)C[C@H](C)O2	730149391	WITPQQAMZQANCK-REPOHMLUSA-N	366.417	4.832	50	20	FJGD	
CCCCOCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	735632366	ONCDXKBTKQYFFP-CYBMUJFWSA-N	355.809	4.661	50	20	FJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	740763740	HLOXJIHDEIEBFI-KAMYIIQDSA-N	367.330	4.799	50	20	FJGD	
C[C@@H]1CCC[C@@H](C)N(CCP(=O)(c2ccccc2)c2ccccc2)C1	741796348	YUJRXMBVXYCDRS-WOJBJXKFSA-N	355.462	4.511	50	20	FJGD	
Cc1ccc2cc(C(=O)NNc3ccnc4cc(Cl)ccc34)ccc2n1	746296470	MPKSRKKEHUGHRG-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
O=C(NNc1ccccc1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	747989474	ZSLIROWRQSLYLD-LJQANCHMSA-N	370.811	4.743	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H](C1CCCC1)C(F)(F)F	752765911	UVXXEPQHPCDSGR-TZMCWYRMSA-N	355.491	4.938	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(Br)c(Cl)c3)nc12	754828168	OXXFLSYKDHFKMW-WDZFZDKYSA-N	373.641	4.746	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1C#N	766287984	JLOWTYZIXBEGQR-AUWJEWJLSA-N	356.212	4.719	50	20	FJGD	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl	766492759	XRAVJCQLUKANMX-OVCLIPMQSA-N	352.242	4.640	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)c1cc(F)cc(F)c1	772175270	IDJALEVSCNWJQQ-LAFDYMOFSA-N	354.175	4.579	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)c1nc(-c2ccc(C#N)cc2)cs1	772798634	WHDHOQPQRCOKDR-CAOOACKPSA-N	356.385	4.757	50	20	FJGD	
N#C/C(=C\c1cccc(Br)n1)C(=O)c1cc2ccccc2s1	788361247	XRAUCHVOAFSUSE-XYOKQWHBSA-N	369.243	4.849	50	20	FJGD	
Cc1c(NC(=O)NNc2ccccc2Cl)noc1-c1ccccc1F	788843565	VQHCCWIVVCTARG-UHFFFAOYSA-N	360.776	4.591	50	20	FJGD	
CCCN(N=Cc1ccc(OCc2ccncc2)cc1)C(=O)OC(C)(C)C	794996255	DCFKCYHTZYVLHA-UHFFFAOYSA-N	369.465	4.642	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2OC[C@H]2CCCO2)o1	840722541	LNAVFUKCHCZPGY-BAPRJRNISA-N	371.820	4.589	50	20	FJGD	
CC(C)Cn1nccc1/C=C(/C#N)c1ncc(C(F)(F)F)cc1Cl	843269800	UBTDYAFZFXTRMV-WZUFQYTHSA-N	354.763	4.670	50	20	FJGD	
O=S(=O)(NCC1CC=CC1)c1ccc(S(F)(F)(F)(F)F)cc1	859275840	RCZISBONJVXIMI-UHFFFAOYSA-N	363.373	4.589	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3cnccc23)c1C	875865901	SZQKNKQKSYAQTA-UNOMPAQXSA-N	358.445	4.609	50	20	FJGD	
CNC(=O)CC1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC1	892091974	QMXSPXXWPYNXPA-UHFFFAOYSA-N	372.403	4.692	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	16388494	YEJCTPBTMBYEOC-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
COCc1c(C(=O)NNc2ccc(Cl)cc2)sc2cccc(F)c12	123077627	FLOQPBFNKAMFNQ-UHFFFAOYSA-N	364.829	4.597	50	20	FJGD	
O=C(NNc1ccccc1F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	153101774	PXBXHUNEBPPDTR-KBPBESRZSA-N	367.449	4.629	50	20	FJGD	
Cc1ccnc(NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	176772167	YIKABMWBSLFHBC-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc(Cl)cc1F	179615716	WJADSUJEGBSDKR-YRNVUSSQSA-N	369.758	4.798	50	20	FJGD	
CCCNC(=O)CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183984215	YGAXPNPGOIOCMZ-UHFFFAOYSA-N	360.348	4.589	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	206950814	JAZMTHSDMDWEFB-WJDWOHSUSA-N	354.837	4.981	50	20	FJGD	
Cc1csc(/C(C#N)=C/C2=Cc3cc(Br)ccc3OC2)n1	588616515	XDJLNGAMRJTIHA-WLRTZDKTSA-N	359.248	4.597	50	20	FJGD	
CC(C)C1CCC(=NNC(=O)c2ccc(F)cc2Br)CC1	729637892	WWIOXTXURQURLN-UHFFFAOYSA-N	355.251	4.520	50	20	FJGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccnc2cc(Cl)ccc12	734862589	MKZUFYFDFRDPOS-CQSZACIVSA-N	353.853	4.834	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OCC(F)F)cc2)c1C	742350237	UPTKVXRRGYIYDQ-GZTJUZNOSA-N	370.399	4.725	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744502158	NEHDVKZSBPKJGD-QUYZQLMHSA-N	373.412	4.565	50	20	FJGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1c(C)nn(C(C)C)c1C	746485424	JKYAIPVXSVQAML-UHFFFAOYSA-N	354.498	4.532	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	748759466	RUSLTVSDFVATEK-IAGOWNOFSA-N	372.255	4.788	50	20	FJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(c2cc3ccccc3[nH]2)CC1	750040868	KFVRTRIBZPLMIM-GZIVZEMBSA-N	372.428	4.820	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cnc1Cl	760208876	AHBXOSSQZSZFDG-WZUFQYTHSA-N	366.635	4.896	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	764411367	JMDVNFIZBFXWDO-RUDMXATFSA-N	353.230	4.609	50	20	FJGD	
Cc1nc(Cl)ccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	788814402	XJWWRIQLVLLYCR-UHFFFAOYSA-N	366.852	4.787	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)c1ccc(Cl)cc1F	789149456	YXHSJMTZNOCNKT-UXBLZVDNSA-N	358.781	4.985	50	20	FJGD	
C/C(C=NNC(=O)c1cc2ccccc2o1)=C/c1ccccc1OC(F)F	811643281	ACNDNLDVIDXENS-GVDUMAOTSA-N	370.355	4.853	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc2ccc(C#N)cc2c1C	815971348	BKBCHIMGPIEBFF-UHFFFAOYSA-N	372.453	4.695	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@H](CCCO)C2)cc1	832786857	ISPPKXFNRKIEDI-GOSISDBHSA-N	363.618	4.803	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)c(C)c1	849242372	DXTUALRROMSDCW-DHDCSXOGSA-N	365.458	4.785	50	20	FJGD	
O=C(NCc1cc2ccccc2o1)NNc1ccc(Cl)cc1Cl	916643826	KIFRPZWHYVFNCN-UHFFFAOYSA-N	350.205	4.566	50	20	FJGD	
O=C(NN=Cc1ccc(N2CCCCC2)s1)c1ccc2ccccc2c1	917546301	KODSZIMARSXUEZ-UHFFFAOYSA-N	363.486	4.656	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccccc2)c(-c2cc3ccccc3o2)n1	920063043	VDRGSKFOHLQNEU-GZTJUZNOSA-N	353.381	4.623	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)cc1	1776697727	OVFMZAXOEZQOSS-GPLLRDDGSA-N	366.392	4.583	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(C)c(C)cc1C	7208144	ODGLZFAFGJXTRB-VCHYOVAHSA-N	364.445	4.523	50	20	FJGD	
Cc1csc(SCc2ccccc2C(=O)NNc2cccc(F)c2)n1	154317693	RVQRWEQUNGTMLM-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)c2ccccn2)c1	178000861	CBTLHISRWLXZGQ-SFQUDFHCSA-N	358.445	4.773	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cccc(Oc2ccccc2)c1	178512747	WFUPAEKULZZPAA-UHFFFAOYSA-N	355.397	4.784	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)OC)o1	726118154	JMJLWJRDPDLNBW-QINSGFPZSA-N	351.402	4.645	50	20	FJGD	
CC(C)[C@H](CC(=O)NNc1ccc(Br)cc1)c1ccccc1	728601777	VUUWSSPEIWGOMI-KRWDZBQOSA-N	361.283	4.722	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	728786470	ZILMVFOJHBEELT-WOJGMQOQSA-N	356.429	4.548	50	20	FJGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNc2nccc3sccc23)c1	734247834	CVRRVEPMWHWBRB-CQSZACIVSA-N	369.490	4.639	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnc3c(C)cccn23)cc1	741468726	KBRIXFDNTQLVRE-PWDRBQJJSA-N	358.445	4.702	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC(F)(F)F)c(C)n1C1CCCCC1	742925980	ILUILSJGPSNWFN-LFIBNONCSA-N	367.415	4.586	50	20	FJGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1cccc2c1CCCC2	748569637	LTHQEOBMULBMKK-UHFFFAOYSA-N	363.486	4.754	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(-c2cccc(F)c2)no1	752812705	JIXYVBBQPGXMCH-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccn1Cc1ccccc1	763608791	BHUOHRKJQOWSSA-UHFFFAOYSA-N	360.244	4.600	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	767878530	ODYRVVDZUSVUAP-DHDCSXOGSA-N	355.235	4.612	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-]	774558631	MBNOTPAMHCOTAM-OQLLNIDSSA-N	362.307	4.909	50	20	FJGD	
O=C(NNc1ccccn1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1	777469497	VXROCLUHIAWZRY-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)NC(c1cccs1)c1cccs1	781091645	YCUFVHRHJYGXFL-CYBMUJFWSA-N	372.353	4.825	50	20	FJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1ccc(C#N)cc1	799479519	VDGAIYGVABPGOP-UHFFFAOYSA-N	358.445	4.513	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(-c3ccccn3)c2C)cc1	801647870	RASVAIKHYZADML-XSFVSMFZSA-N	370.456	4.627	50	20	FJGD	
Cn1c(/C(C#N)=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc2ccccc21	811627169	VMVHONJNYSCPJO-IZZDOVSWSA-N	373.199	4.852	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2Sc2ccccc2)cc1	817879822	QGIKIFZUFQDGMZ-UHFFFAOYSA-N	364.470	4.993	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(Cl)c2Cl)cnn1C1CCCCC1	838346817	PWRUFYPBOVAQNW-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCc2ccccc2O1	841024356	IAEISBHDKNQBJN-IBGZPJMESA-N	366.486	4.717	50	20	FJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2cccc(Cl)c2)s1	912718187	PPDLKRJUHGPSKY-UHFFFAOYSA-N	363.895	4.519	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)ccc1OC	212182762	UUXMFUUIEUUVKJ-BOPFTXTBSA-N	361.401	4.517	50	20	FJGD	
CC(=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CCCC1	733078424	XRCRHJLGNIBCGK-UHFFFAOYSA-N	372.472	4.835	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(OC(F)(F)F)c1	748008304	UHZYHXMOPHNKET-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CC(C)(CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1F	749869791	OACIYFZEIDMSHV-AWEZNQCLSA-N	355.544	4.934	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC	751443413	JFWRMGHCQRMQRO-LDADJPATSA-N	372.424	4.711	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CCCC(F)(F)F)c1C	756794446	RTOOGQGILCAKOG-HNEYUBDGSA-N	369.431	4.659	50	20	FJGD	
CC(C)(C)OC1CC(CCNC(=O)CCCC[C@H]2CCSS2)C1	762402551	WTNIONYTLLJXDG-GPANFISMSA-N	359.601	4.801	50	20	FJGD	
O=C(NCCC1CCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762675972	XYEPJXIZPSYUMK-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979664	KELCSPIJVKOWHE-GHMZBOCLSA-N	374.375	4.969	50	20	FJGD	
CC(C)(C)c1nc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cs1	767405959	YEMBGKMSRSASLY-UHFFFAOYSA-N	362.257	4.643	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(OC)cc2)c1	772918419	XPAZBLMJFUWONE-UHFFFAOYSA-N	362.429	4.518	50	20	FJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)c1ccc(F)c(Cl)c1	773162674	WRAQQIYKEHHOGH-VZUCSPMQSA-N	360.175	4.570	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c(Cl)c1	775639806	VFXJLTGRGGISMJ-WQLSENKSSA-N	363.747	4.740	50	20	FJGD	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	786892205	XRSOZCQZBZQFOH-RERGGYADSA-N	374.362	4.538	50	20	FJGD	
CCc1c(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cnn1C	792548741	WOBUHVPFOYBQAG-UHFFFAOYSA-N	355.332	4.892	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794689933	DWMZLFDIIJFEAD-OQLLNIDSSA-N	361.367	4.803	50	20	FJGD	
CC(C)(C)[C@@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	796576515	UHTYMIPAHZHZHK-HXUWFJFHSA-N	369.489	4.759	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)s1	802823662	ZEZYXHKPEMRYPI-UHFFFAOYSA-N	354.275	4.543	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(C)c1OC	806554270	PAGJXQOIAWKULM-MDWZMJQESA-N	354.406	4.825	50	20	FJGD	
CSCCCCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013186	ANLQATFFMQXRQS-UHFFFAOYSA-N	374.350	4.701	50	20	FJGD	
CC[C@@H](C)NC(=O)[C@@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	842164812	ZJWMDECTFUFBMU-GHMZBOCLSA-N	360.392	4.737	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NN[C@@H](C)C(F)(F)F)sc2c1	862313984	SJVYLGKFCNOKIX-QMMMGPOBSA-N	364.820	4.863	50	20	FJGD	
C[C@H]1CCCC(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)C1	916358066	ZZYUEPFADTYCNR-NSHDSACASA-N	361.898	4.947	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1ccc(COc2ccccc2)o1	916360507	VDZAULSEUCVGDY-SJORKVTESA-N	366.461	4.935	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1	918620648	FZUXGGRQKSUGHB-HZGBGQKMSA-N	374.440	4.924	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C)c1	1090781	SPKQCCBOZXBEDX-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1cccc(Cl)c1Cl	78561058	IPIBEINDZZSCMO-YFHOEESVSA-N	353.155	4.817	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(Oc2ccccn2)c1	161430316	HWOIVZALFIWROC-UHFFFAOYSA-N	371.400	4.571	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	175317699	QOCKUQOYYJASOH-YCRREMRBSA-N	369.154	4.523	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F	178458681	HWLPSLBDVFKMBE-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1	179616468	YJKKAKFCSGGEOC-ZBQKXELDSA-N	354.768	4.560	50	20	FJGD	
CC(C)CCOC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	192867272	BNAKALFQZPJTHB-KRWDZBQOSA-N	359.601	4.754	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccccc1F	193653991	ZCLDEFJTBJPZBP-UHFFFAOYSA-N	358.438	4.541	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	211494210	QSCWVTRJBLYINU-OWBHPGMISA-N	362.360	4.640	50	20	FJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCC[C@H]1O	287042526	HNUCYEVANUZKHX-VXGBXAGGSA-N	360.348	4.721	50	20	FJGD	
Cc1cc(OC(=O)c2csc(-c3cccc(Cl)c3)n2)ccc1[N+](=O)[O-]	744440083	RPUCAMAPBUXMCN-UHFFFAOYSA-N	374.805	4.899	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccnc3C)c2C)cc1	744775105	UHXDNEVRMXIIPF-DEDYPNTBSA-N	370.456	4.652	50	20	FJGD	
COc1cc(C(C)=NNC(=O)c2ccc3ccccc3c2)ccc1SC	747610975	LIIHFHVNVGJMFR-UHFFFAOYSA-N	364.470	4.724	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(F)cc3C)o2)c(C)c1	748548739	HRJXXKBRJWEGTJ-UHFFFAOYSA-N	368.408	4.680	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)cc3)c2c1	749274375	KNROQSKUDCOUQP-UHFFFAOYSA-N	351.837	4.831	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)o1	751513180	FFLRVJSBDHBDFA-GDNBJRDFSA-N	364.426	4.952	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1Br	765614222	SJYBPSRIGLRLDZ-YHYXMXQVSA-N	365.133	4.700	50	20	FJGD	
COc1ccccc1[C@@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	767983210	LHJSWBGCYZFPFY-GOEBONIOSA-N	368.315	4.558	50	20	FJGD	
Cc1cc2cc(NC(=O)NNc3ccc(OC(F)(F)F)cc3)ccc2[nH]1	770016279	LVACGDZSBXNVHK-UHFFFAOYSA-N	364.327	4.524	50	20	FJGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)n12	773163860	ZUMBCBWTMFQGMC-NTUHNPAUSA-N	373.309	4.591	50	20	FJGD	
Cc1cccc(C=NNC(=O)c2ccc3ccccc3c2)c1OC(F)F	777883321	YYTRFTIKUPMANF-UHFFFAOYSA-N	354.356	4.514	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cccc(F)c1Sc1ccccc1	781349265	ZAPGNSIVBPOVPS-UHFFFAOYSA-N	356.397	4.873	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1OCC(F)(F)F	781555840	PWIGLXZMGYUYRM-OQLLNIDSSA-N	367.367	4.693	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2scnc2C2CC2)cc1	782306628	TYXFIDWCDVVCLN-WJDWOHSUSA-N	351.475	4.909	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c2c(c1)C[C@@H](C)O2	783714010	DWHYBERYCPNQAP-YRVKEHPISA-N	359.834	4.523	50	20	FJGD	
Cc1ccc(-c2nnc([C@H](C)OC(=O)/C(C#N)=C\c3ccccc3)o2)cc1C	785366506	PVZLYZSEJQQRGJ-JJBLJPBOSA-N	373.412	4.565	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC3(CCCCC3)CC2)o1	786040135	LBGVWIRNTCGTRG-UHFFFAOYSA-N	359.514	4.732	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)c1ccc2ncccc2c1	789159356	LVTUDQXNLNQJEO-XNTDXEJSSA-N	357.394	4.741	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1OC(F)F	812249436	ZTWYIOWYZJTZTP-XFFZJAGNSA-N	370.277	4.775	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1OC(F)F	812249437	ZTWYIOWYZJTZTP-YRNVUSSQSA-N	370.277	4.775	50	20	FJGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1ccc2ccccc2c1	814810176	BANBDEJDYYUUBW-UHFFFAOYSA-N	358.441	4.989	50	20	FJGD	
CC(C)(CO)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1	834588300	SCGJCOCSBPXLLB-FUHWJXTLSA-N	367.580	4.577	50	20	FJGD	
CC(C)c1ccc(NNC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1	838480795	VXBVRFREIJHPCX-NRFANRHFSA-N	367.493	4.604	50	20	FJGD	
N[C@H]1CCC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841178414	DPXJLBZKBLQKRL-GXSJLCMTSA-N	359.364	4.735	50	20	FJGD	
NC[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189981	KTXVFRKUPKUQQV-SNVBAGLBSA-N	359.364	4.547	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	843117370	JYQRZYWDJVXRSI-UYRXBGFRSA-N	362.477	4.859	50	20	FJGD	
C[C@@H](CCCNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776413335	LBPZBTBPFDSUMM-HNNXBMFYSA-N	351.563	4.661	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2)c1	23218539	XQUFEOIRQFYJBM-CPNJWEJPSA-N	365.429	4.524	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)ccc1SC	63874548	AYHMTADJCFYOMC-DHDCSXOGSA-N	362.454	4.997	50	20	FJGD	
O=C(CCCCCc1cccs1)NNc1ccc(OC(F)F)cc1	122917497	YGPJILDYYCALCQ-UHFFFAOYSA-N	354.422	4.596	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1OCC	144670014	NEMJJOCZNJCTHJ-WJDWOHSUSA-N	360.413	4.755	50	20	FJGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H](C)c1cc2ccccc2o1	188272095	BXHIXPRWAGSAPO-BRYHAGSVSA-N	360.413	4.655	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3c2ccn3C)c1C	726877799	UROHAZMHXVFQFJ-AQTBWJFISA-N	360.461	4.552	50	20	FJGD	
CSC[C@@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	731325427	OIRKMMRBAQANNX-PRHODGIISA-N	357.850	4.844	50	20	FJGD	
CC[C@@H](NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1	732917835	PJLHAJLCPSZPBC-OAQYLSRUSA-N	360.457	4.505	50	20	FJGD	
O=C(NNc1c(F)cccc1F)N[C@H](c1ccccc1)c1ccc(F)cc1	735757926	GFRNRUXWBWEDET-GOSISDBHSA-N	371.362	4.520	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2cccnc2)c(C)n1C1CCCCC1	736018566	NPXWMQNWYDXFRN-CPNJWEJPSA-N	362.477	4.575	50	20	FJGD	
C/C(=C/C(=O)NNc1cc(F)c(F)c(F)c1)c1cccc(C(F)(F)F)c1	746704630	CFOWHLNFTGSVGM-UITAMQMPSA-N	374.284	4.669	50	20	FJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2c(C)cc(C)cc2C)cc1	759971251	NZHRHYAHIYWRLH-UHFFFAOYSA-N	368.477	4.507	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC)CC(F)(F)F)c1C	760771329	FWFWJQHMTLWFNL-RNIVLKNTSA-N	369.431	4.659	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1C#N	766492881	ZBTDHUYAXKHXQP-DHDCSXOGSA-N	372.453	4.520	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)c1cc(F)cc(F)c1	772178994	MHOROSCPDUORQS-QDEBKDIKSA-N	366.136	4.656	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c1C	781708291	NSMXTWLHGJJTHW-ZXMBATIKSA-N	371.868	4.775	50	20	FJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	782050516	VGKODNAMDAKCSN-HNNXBMFYSA-N	364.474	4.505	50	20	FJGD	
CC(C)Sc1cccc(Cl)c1/C=C(\C#N)C(=O)Nc1nccs1	782306654	UPQSTBJJNYJWHS-DHZHZOJOSA-N	363.895	4.843	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cnc(-c4ccco4)s3)c[nH]c2c1	789126471	FLRNVJHXJLQQEN-JYRVWZFOSA-N	359.410	4.983	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cn4cc(C)ccc4n3)n2)cc1	789127375	JIDIRCVEQIINAN-CXUHLZMHSA-N	372.453	4.839	50	20	FJGD	
CCN(C(=O)NCCSSC)[C@H](C)c1cccc(C(F)(F)F)c1	790877522	DIMJINGRHNPXHJ-LLVKDONJSA-N	366.474	4.809	50	20	FJGD	
O=C(NNc1ncccc1F)Nc1cccc(CSC2CCCC2)c1	806294540	HBGDWFKMPQXUEX-UHFFFAOYSA-N	360.458	4.545	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12	806565384	MIHVWWUKFIZWSG-RIYZIHGNSA-N	355.319	4.732	50	20	FJGD	
COC(=O)Nc1cc(NC(=O)NNc2c(C)cccc2C(C)C)ccc1F	812931444	NDDRYJQBCDNGFQ-UHFFFAOYSA-N	374.416	4.584	50	20	FJGD	
CC(C)(C)c1noc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)n1	844346833	RRMIZZNLHNQEFE-UHFFFAOYSA-N	367.610	4.601	50	20	FJGD	
CC[C@H](NC(=O)NNc1ccccc1Cl)c1ccccc1OC(F)F	916494080	BGPGTIKWHQPTNJ-ZDUSSCGKSA-N	369.799	4.719	50	20	FJGD	
O=C(NN=Cc1ccc[nH]1)c1ccc(CSc2ccc(Cl)cc2)cc1	916592745	XTLAVWZEYRLWHA-UHFFFAOYSA-N	369.877	4.724	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1F	1322984963	KPNDHQYWJKUMPN-SDQBBNPISA-N	354.768	4.759	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn2c(C)cccc2n1	1323527975	ZMMLCIAFAWGFJI-UHFFFAOYSA-N	364.474	4.593	50	20	FJGD	
CN(C)c1ncccc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	1326685767	ZRQUJOFKVYKCEG-GDNBJRDFSA-N	366.877	4.989	50	20	FJGD	
CC[C@@](C)(CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776686058	ZAONQLSGWRJAIN-IBGZPJMESA-N	351.563	4.661	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cc3[nH]c(C(=O)O)cc3o2)CC1	1776779142	YAWOKWALEQGHHA-DHDCSXOGSA-N	368.433	4.932	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)cc2)o1	1777433578	GKRDAEZRUXTUBH-UNOMPAQXSA-N	357.365	4.743	50	20	FJGD	
C[C@@H](N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)O	297148485	KHVNASKHTCWDCY-SECBINFHSA-N	362.364	4.967	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1c[nH]c2ccccc12	588425248	ZDUIVRAZSLJZNX-GHXNOFRVSA-N	351.749	4.519	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)c(Cl)c1OC	730434791	STRFEZQEQHNOFU-PTNGSMBKSA-N	350.805	4.970	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](c1ccccc1)c1cccc(Cl)c1	734268917	DFADOCPHLIUSPA-LJQANCHMSA-N	351.837	4.756	50	20	FJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc2sccc2c1	748076523	HFXBNBDDCWPARW-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2cc(Br)ccc2c1	748545103	YBHGRGQRGLTPOS-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
C[C@H]1[C@@H](C)N(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1C	752977303	OWJKCNPRDFBVMJ-WDEREUQCSA-N	373.391	4.900	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2Br)c(C)c1	767718726	XYSNHOIWROOVTD-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
Cc1ccc(NNC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cc1	770394577	JJLYAMOXPCQDED-UHFFFAOYSA-N	365.502	4.843	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1OCC(F)(F)F	781555829	PWIGLXZMGYUYRM-DHDCSXOGSA-N	367.367	4.693	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1)c1ccccc1	787142353	UTGTYKUCXPKIRT-GTVARFKMSA-N	365.502	4.975	50	20	FJGD	
CCCn1c(C)c(C(=O)NNc2ccccc2Cl)c2cc(OC)ccc21	789949303	AXIDHEJODDDKBE-UHFFFAOYSA-N	371.868	4.779	50	20	FJGD	
C=C(CBr)CN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl	791473384	SVKWQHPKKURPQI-CQSZACIVSA-N	374.754	4.589	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	791734916	SKOUFACZBSKZIT-BDAKNGLRSA-N	355.187	4.805	50	20	FJGD	
CCCN(N=C(C)[C@H](C)c1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C	794997630	BUJYATPKOQRQSK-AWEZNQCLSA-N	364.486	4.830	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1Cc2cccc(C)c2O1	839235662	KFUSLTQDLBQVQJ-GOSISDBHSA-N	366.486	4.635	50	20	FJGD	
Cn1c(/C(C#N)=C\c2csc3ccc(C(=O)O)cc23)nc2ccccc21	1776129373	GYOBIRDEWXEION-JYRVWZFOSA-N	359.410	4.550	50	20	FJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c2ccccc21	11297511	IALJBEDUENJUQF-LFIBNONCSA-N	359.816	4.998	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)ccc1OC	23739984	BEZNBVOXXOXZOM-LDADJPATSA-N	365.429	4.673	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cnn(Cc4ccccc4)c3)c[nH]c2c1	63413049	RUSWZWMFZMMDFZ-GRSHGNNSSA-N	366.424	4.511	50	20	FJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1cc(F)c(F)c(F)c1	84407401	PNOIYPWLSZSDQE-UHFFFAOYSA-N	360.788	4.626	50	20	FJGD	
CN(CCn1cccn1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184428872	IGQDJJUAXRAWMP-UHFFFAOYSA-N	370.347	4.704	50	20	FJGD	
CCCC(=NNC(=O)c1ccc(Br)s1)C1CCCCC1	727777806	VCBKTAAKJYUIQW-UHFFFAOYSA-N	357.317	4.977	50	20	FJGD	
CC1(C)CCCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	741805733	UGNGHGQAZXVMSB-UHFFFAOYSA-N	355.462	4.513	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c[nH]cc1-c1ccc(Cl)s1	746698380	CZXQONXWOIIALU-UHFFFAOYSA-N	370.236	4.946	50	20	FJGD	
CCN(CC)c1nc2sc(C(=O)NNc3cc(C)ccc3C)cc2s1	748407989	PSTZJKJVEPANNA-UHFFFAOYSA-N	374.535	4.578	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(OC2CCC2)cc1	754152487	LCNPNDVCFHJZMR-UHFFFAOYSA-N	368.330	4.533	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cc(Cl)cs1	760469696	VOCRKROLXOSKHO-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
C[C@H](CCN(C)C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762977603	DHJIYDZKGLSMNQ-SNVBAGLBSA-N	361.380	4.806	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F	777915212	IKWXWSWFEFTRKR-XFFZJAGNSA-N	358.279	4.543	50	20	FJGD	
CC(C)[C@H](C=NNC(=O)c1ccc(Br)s1)c1ccccc1	794485945	NOHJEHDESCBGCD-ZDUSSCGKSA-N	365.296	4.666	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1cc(Cl)cc(Cl)c1	807392299	XYOWLSXYXOMKIT-LBPRGKRZSA-N	374.271	4.864	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c1OC(F)F	809147056	XMSUWMZRWVSOMJ-MHWRWJLKSA-N	357.356	4.703	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c[nH]nc2-c2c(F)cccc2F)cc1C	809160555	STKXYCLLHSWNLY-DHDCSXOGSA-N	363.367	4.762	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2cccc(Cl)c2Cl)c1C	839067725	ZMNYKNUCAFWMEZ-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1	915991704	IYXBYNFXZGVCNB-DPQIITEBSA-N	365.273	4.691	50	20	FJGD	
N#C/C(=C\c1cccc2c1OCCO2)C(=O)c1cc(Cl)cc(Cl)c1	921138286	CITZJERSHDYROW-AWNIVKPZSA-N	360.196	4.554	50	20	FJGD	
Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NNc1ccccc1	70716593	SRIMVRDXLIEBGN-UHFFFAOYSA-N	367.452	4.896	50	20	FJGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)oc2c(C)cccc12	132552533	NUAQJCMTWBXDKF-UHFFFAOYSA-N	350.205	4.508	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccco2)ccc1OCc1ccccc1	212647845	BIQAWTGOPXBQCL-PDGQHHTCSA-N	359.381	4.657	50	20	FJGD	
C/C=C\C[C@@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	588493202	CDOCNXSDNJRFLH-QUCGXOGASA-N	360.348	4.793	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(Oc2ccccc2)cc1	727759602	JFBTUWCJRFSYEN-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
Cc1ccccc1-n1nccc1NC(=O)CCCC[C@@H]1CCSS1	733288523	CXLCEYZFLOIQDX-OAHLLOKOSA-N	361.536	4.833	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1ccc(Oc2cccc(Cl)c2)cc1	734245892	CJYKQEQOWRHREQ-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cc(O)nc2ccc(F)cc12	737466447	KGQXOJRHYJQRAC-UHFFFAOYSA-N	373.387	4.563	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1cc(C)sc1C	741771521	NBQQFKCXDZYQRQ-UHFFFAOYSA-N	353.394	4.512	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	742042073	INSNGZXHRLRKGL-CABCVRRESA-N	355.652	4.894	50	20	FJGD	
O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1ccc(F)cc1F	743336627	MKINEQOYZOHJGZ-SFHVURJKSA-N	366.411	4.825	50	20	FJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1ccc(Cl)c(F)c1	746698721	NODYEZQEQNHILH-GFCCVEGCSA-N	360.738	4.658	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)CCCCc2nc3ccccc3s2)c1	760137044	NSRLZBHAQCRWDG-UHFFFAOYSA-N	357.454	4.600	50	20	FJGD	
C[C@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCC1	762668930	NYJTXJGBHBIICU-VIFPVBQESA-N	372.359	4.587	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)cc1Br)C(=O)c1ccsc1	769772902	FIPRTZFVMAVIQC-VZUCSPMQSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccccc1SC(F)F	775455549	GNQFAUYNJPWLGT-UHFFFAOYSA-N	360.389	4.698	50	20	FJGD	
CC[C@@H](C)n1nc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1C	776026596	QHRCJCDWHWQYOV-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
Cc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl	779713824	SJNAHEYKRLBRRX-DHDCSXOGSA-N	352.242	4.640	50	20	FJGD	
O=C(NN=Cc1scnc1C1CC1)c1ccc(-c2ccc(F)cc2)s1	782176026	DTLBUDQDZLJYPY-UHFFFAOYSA-N	371.462	4.652	50	20	FJGD	
COc1ccc(CC(C)(C)NC(=O)CCCC[C@@H]2CCSS2)cc1	783750531	SPWJVSDKFKZCNF-QGZVFWFLSA-N	367.580	4.847	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc3ccccc3s2)cc1	787153651	FYUSDZJIPXLXJF-RFRKOGIWSA-N	362.454	4.694	50	20	FJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1OC(F)F	794885936	XDHMFCQGNFTRSK-BOPFTXTBSA-N	364.351	4.935	50	20	FJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1c(C)cccc1CC	799755286	WWBKKPZXQLPJOW-UHFFFAOYSA-N	373.478	4.725	50	20	FJGD	
Cc1cnc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	806422519	VGCNYHAXUUUNGJ-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
CC(=O)Nc1cc(NCc2ccc(OCCCCl)cc2)ccc1Cl	811469092	CSXOYRXPRVOJFA-UHFFFAOYSA-N	367.276	4.918	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)c1cc(C(F)(F)F)ccn1	812248663	QKEOFPFWEKWUCE-VZUCSPMQSA-N	366.726	4.589	50	20	FJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccc(C(C)C)cc2)s1	837056132	VCGZBIOMOMXSLT-UHFFFAOYSA-N	371.531	4.989	50	20	FJGD	
Cc1ccc(-c2nn(C)cc2/C=C(/C#N)c2ncc(C(C)(C)C)s2)o1	843264250	HFNNBCQZBVZQAJ-JYRVWZFOSA-N	352.463	4.807	50	20	FJGD	
Cc1cccc(NNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1	849610473	JKPMSFJHNMDWPR-UHFFFAOYSA-N	358.441	4.768	50	20	FJGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1	917180680	JYQDUOMVQAQIBG-UHFFFAOYSA-N	371.289	4.529	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3cccc(Cl)c3)cs2)cc1	918709781	WBZNTSWBQWRSEO-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	1116000281	IDVFSUVZPHGKGH-GDNBJRDFSA-N	363.394	4.805	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1318878493	FEWMLBLNFOYQJR-YVLHZVERSA-N	366.848	4.691	50	20	FJGD	
Cc1cc(C)cc(OCc2nnc([C@H](Br)C(C)(C)C)o2)c1	1329095323	RHHCCPDQVGOZJK-AWEZNQCLSA-N	353.260	4.748	50	20	FJGD	
Cc1c(NNC(=O)c2ccc3c(c2)oc2ccccc23)cccc1[N+](=O)[O-]	1342429972	JLGGYPYFEKDDDM-UHFFFAOYSA-N	361.357	4.560	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1cc(F)c(F)cc1F	156540384	QITPYIFOEWHGAT-UHFFFAOYSA-N	366.408	4.919	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1cccc(O)c1)CC1CC1	175645701	VVYYDPYERJDJMU-GOSISDBHSA-N	365.564	4.845	50	20	FJGD	
CC[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193221823	KHVQTPDSVVNGGI-JTQLQIEISA-N	374.375	4.787	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc(Cl)c1O	255613057	RNTFVAWBSWBCJE-WCIBSUBMSA-N	366.175	4.637	50	20	FJGD	
O=C(Nc1cc(F)c(F)c(F)c1)NN(Cc1ccccc1)c1ccccc1	741400820	LAFBOPMECXXXHF-UHFFFAOYSA-N	371.362	4.847	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(Cl)ccc3OC(F)F)nc12	741471378	YIAFXHXMZOPBRG-IZZDOVSWSA-N	360.751	4.585	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC1CCCC1)C(=O)Nc1nccs1	742430941	FIIBLKKVZVXHLN-LCYFTJDESA-N	373.865	4.664	50	20	FJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1	743808297	SILFQBPFABDAEI-NRFANRHFSA-N	373.456	4.700	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)ns1	748018766	KMQVTKBNGOECMP-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
C[C@@H](CC=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccccc1	755618833	DTMAZGVDKXLPIY-INIZCTEOSA-N	363.486	4.648	50	20	FJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1cccc(Br)c1	756018026	RLJMFWUTZHMKHT-LUAWRHEFSA-N	365.658	4.649	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761395188	ZXXXEEBITCHWAF-DHZHZOJOSA-N	365.191	4.687	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(OC2CCC2)cc1	763624918	QRHWOGYHHAFBFD-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12	766777865	GWVBWAXHKFKWKC-OBGWFSINSA-N	364.408	4.571	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(Oc2ccc(Cl)cn2)cc1	770042649	STWHRMXRJOAMKO-UHFFFAOYSA-N	372.787	4.815	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)c1ccc(OC(F)F)cc1	776257808	OYCFOLKRKHHMAR-LCYFTJDESA-N	365.282	4.679	50	20	FJGD	
C=CCN(CC=C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777850359	VXKXBULSWSIEFZ-UHFFFAOYSA-N	363.373	4.707	50	20	FJGD	
C[C@@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	777987948	SCJKJJZPUZUIAB-NXEZZACHSA-N	365.389	4.763	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)n(Cc2ccccc2)c1C	799757898	NSHMLRCYKAIFOB-UHFFFAOYSA-N	361.489	4.781	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)[C@H]1OCCc2sccc21	813870204	SXJZFNXKJUVHGR-IFXJQAMLSA-N	373.522	4.509	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C3CCCC3)s2)cc1[N+](=O)[O-]	840722743	NTVMSDOOVUQUBI-NVNXTCNLSA-N	367.430	4.807	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cnc(-c2ccc(C)c(C)c2)s1	848642486	WVKFOAPIPFHRLU-LICLKQGHSA-N	360.504	4.506	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N2C3CCC2CC3)c(C)n1C1CCCCC1	876661342	CIBSQJFYMHUOEI-AQTBWJFISA-N	351.494	4.671	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2C)ccc1OC(F)F	7211254	BKEZDFPAAWVSBX-XNTDXEJSSA-N	357.356	4.785	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3nnc4n3CCCCC4)cs2)cc1	60421535	WQRDPDJBZBDSFV-LFIBNONCSA-N	361.474	4.501	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1	78494027	LEPITUCBPVDRKO-ZSOIEALJSA-N	358.800	4.650	50	20	FJGD	
COCCC1(CNC(=O)CCCC[C@@H]2CCSS2)CCCCC1	185401087	CESUHUMZZLRWQB-MRXNPFEDSA-N	359.601	4.804	50	20	FJGD	
Cc1cc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)ccn1	188039520	XADFXENWAAZOOQ-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
Cc1ccc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)cn1	188094925	MZHRVHASMWLTMS-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193708888	MCPCWOKYADDSKE-UHFFFAOYSA-N	372.359	4.707	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1OC(F)F	213095500	CGPMYXAOEKZTLW-UVTDQMKNSA-N	361.319	4.616	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	733363111	OPUWEGLKMJJSOK-NWDGAFQWSA-N	357.187	4.518	50	20	FJGD	
O=C(NNc1ccccc1)[C@@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	735687447	HIDMLWWDAHFXDX-FIKGOQFSSA-N	354.881	4.832	50	20	FJGD	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNc1c(F)cccc1F	735697942	BHAIUGRHUWPKJT-SECBINFHSA-N	359.203	4.594	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC	749449957	ATQCOBFKYQUGMF-UWCCDQBKSA-N	364.445	4.727	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1F	752813049	OYOFBEARESDDPD-MNOVXSKESA-N	357.187	4.518	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2F)c(C)n1CCC(C)C	762318839	MKNZBBGWBLVAER-GZTJUZNOSA-N	369.440	4.541	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1	764451467	ZOORMPGFZMVRFX-OAHLLOKOSA-N	357.816	4.664	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccnc(-c2ccccc2)c1	770082379	UBRIFNJXQBXSKC-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(-c3cccc(F)c3F)o2)ncn1	773174786	XNCJDJGIEXGDMJ-XFFZJAGNSA-N	355.369	4.801	50	20	FJGD	
C/C(=C\C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1Cl	775271152	CJWAGCWXEZEPFP-RMKNXTFCSA-N	356.640	4.588	50	20	FJGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	777464201	QGMJTJYXDZXDBU-FOWTUZBSSA-N	359.360	4.559	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2ccc(F)cc2s1	779209680	ZEZFQUZIKLHPCM-UHFFFAOYSA-N	370.327	4.696	50	20	FJGD	
CC(C)c1ccccc1NC(=O)C(=O)NN(c1ccccc1)c1ccccc1	782820795	IPXKHYXVXSMXMD-UHFFFAOYSA-N	373.456	4.618	50	20	FJGD	
COc1ccc(C(=O)NNc2ccccc2Cl)c(OCCC(C)C)c1	790803939	DSKCOULXWAQWDO-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797407453	ULOKEMABDPIDJS-ZSOIEALJSA-N	364.474	4.903	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccc(F)c(Cl)c3)s2)cn1	800791792	VWKKOBAQIACJLW-SDQBBNPISA-N	371.824	4.731	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2cccc(Cl)c2C1	837914356	BSAALUWSZZHUII-CQSZACIVSA-N	355.956	4.939	50	20	FJGD	
C[C@@](CN)(NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	841179109	JSHZIZGCJPCKTN-ZDUSSCGKSA-N	359.364	4.593	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3ncsc3c2)c1C	915870753	NYQCZIDGKLXILB-SXGWCWSVSA-N	364.474	4.670	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3cccc(Cl)c3)c(Cl)nc12	916279332	WUXAIIZMIOTYQR-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1	920031351	BUPRYOJDDBRHDM-AWEZNQCLSA-N	350.384	4.959	50	20	FJGD	
CCCn1ncc(NC(=O)CCCC[C@H]2CCSS2)c1C1CC1	1347884340	LHWNDKRAPLTSOC-AWEZNQCLSA-N	353.557	4.823	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3csc(C(=O)O)c3)n2)cc1	1777343067	ABQHMAPDTKQZAW-MLPAPPSSSA-N	368.439	4.643	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(-c2ccncc2)n1	66406987	WODVUJOBLKSYME-BOPFTXTBSA-N	369.453	4.670	50	20	FJGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1C	178028869	VKRQUXSGUQRWRF-QGOAFFKASA-N	358.445	4.609	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccccn3)c3ccccc3n2)c(C)c1	181201340	UYHZVVBYSBFPJT-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3nc4ccccc4cc3C)c2)cc1	181277303	FVJBSNOAFJXYTK-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2O)c(C)n1C1CCCCC1	725879642	LONRONBMROIZSR-QGOAFFKASA-N	363.461	4.861	50	20	FJGD	
Cc1cc(C=NNC(=O)CCCc2ccccc2)ccc1Oc1cccnc1	732712251	XSQCPTCQHBGKTQ-UHFFFAOYSA-N	373.456	4.655	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)Cc2ccc(Cl)cc2)cc1	745844150	OESQNXQLINZLHC-QGOAFFKASA-N	368.864	4.694	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1cc(C2CC2)nc2ccc(Cl)cc12	751390317	AGWZGGUNJNUDJR-UHFFFAOYSA-N	373.243	4.571	50	20	FJGD	
CCN1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	753925951	SDXPZYRYSUMPRE-UHFFFAOYSA-N	373.391	4.950	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1cc(SC)ncn1	773177725	XHIBZFSXIRIIMQ-XCVCLJGOSA-N	352.246	4.578	50	20	FJGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1ccc2ccccc2n1	776757740	XXMPWZIGDMGSGV-UHFFFAOYSA-N	359.404	4.727	50	20	FJGD	
C[C@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	777987950	SCJKJJZPUZUIAB-VHSXEESVSA-N	365.389	4.763	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc(C(F)(F)F)ccn1	780763912	PRHOFIRRKPEQKW-NSHDSACASA-N	350.431	4.753	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc2oc3ccccc3c2c1	786769972	ZNOZPPQWHLDXGR-PTNGSMBKSA-N	354.365	4.837	50	20	FJGD	
CC(C)c1ccc([C@@H]2CCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787476373	RCDNZOQKGLHCBS-PZHBDVNGSA-N	360.457	4.786	50	20	FJGD	
COc1cc(NNC(=O)[C@@H](C)c2ccc3ccccc3c2)ccc1Cl	790179564	WELNDLMMQPLYQR-ZDUSSCGKSA-N	354.837	4.749	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1csc(-c2cccs2)n1	791733469	UJTUWAUMRIURPL-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
N#CC[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccccc1	796791933	GSOVMXOFCJHRRR-INIZCTEOSA-N	360.369	4.741	50	20	FJGD	
COc1ccc(F)cc1[C@H](C)NCc1ccc(OCCCCl)cc1	811475242	YNMIYCWYQISRSG-AWEZNQCLSA-N	351.849	4.693	50	20	FJGD	
Nc1cccc(C2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)c1	842513383	CELYNXMTUUVXDI-SFHVURJKSA-N	364.580	4.689	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)N(C)CC(Cl)Cl)c1	848082623	PRVBSUPTZZJPDL-UHFFFAOYSA-N	352.261	4.628	50	20	FJGD	
C[C@H]1c2ccccc2OCCN1C(=O)CCCC[C@H]1CCSS1	856487141	PGPMFLPZSJEVAZ-GJZGRUSLSA-N	351.537	4.683	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NNc1ccnc2cc(Cl)ccc12	913188084	GPYJBVVBOLYTGZ-UHFFFAOYSA-N	361.832	4.727	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)c1cccc(Cl)c1	913617564	JTYNSIAGURBPRF-WCIBSUBMSA-N	352.640	4.954	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CCc2cccs2)c1C	914517404	ZIKUWOGQIIMTMF-XMHGGMMESA-N	369.534	4.575	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3nccs3)ccc21	28700018	LSCKELBBVLLTCP-RVDMUPIBSA-N	372.453	4.817	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1OC(F)F	171389907	NUWDFGGMECZPJZ-OQLLNIDSSA-N	357.356	4.703	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	191761187	OCJCIAHQNDZRMM-XNTDXEJSSA-N	369.364	4.655	50	20	FJGD	
CCCN1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	192258350	UYCBGNXADNTLQZ-UHFFFAOYSA-N	373.391	4.904	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	210005427	JQHHNSUOWMWEQO-YHYXMXQVSA-N	353.155	4.817	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/C=C2/N(C)c3ccccc3C2(C)C)c1	211485621	PIKGAOSINUVXRB-ZQWOEWKVSA-N	357.457	4.695	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C\c1ccccc1C#N	254973488	ARVWOHKBKOXTOE-KTKRTIGZSA-N	361.470	4.908	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1	255115434	URFWCGGSXIYFRV-PDGQHHTCSA-N	373.412	4.594	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1F	739426230	KJYLRCIJPDQKKD-LDADJPATSA-N	365.452	4.834	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2csc(-c3ccccc3Cl)n2)c1	748365837	GEYBBBMOMFKNEG-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1ccoc1	752882967	ARYCCEHFPGGEMJ-JMIUGGIZSA-N	354.365	4.520	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	779752037	NBJVODHKWSAANL-WJDWOHSUSA-N	354.837	4.901	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(/C#N)C(=O)C1CCCC1	781553588	BPGGIHRPEZNFKC-JYRVWZFOSA-N	350.281	4.837	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1)c1ccccc1	787145782	TXLCSBBHHKVGBN-QUHSPFQSSA-N	360.413	4.616	50	20	FJGD	
CCOc1cc(NC(=O)NNc2cc(Cl)cc(Cl)c2)ccc1OC	792246850	KKKJAJHAJWBDTN-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
Cc1cc(OCC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)no1	792547317	JYAUEOLBPQATTH-UHFFFAOYSA-N	358.288	4.658	50	20	FJGD	
COc1ccc(C(=O)/C=C\c2cccc(CCl)c2)cc1Cn1cccn1	799891611	HODAQIMYTGYEBR-VURMDHGXSA-N	366.848	4.575	50	20	FJGD	
O=C(NNc1cccc(F)n1)Nc1cccc(CSC2CCCC2)c1	806295373	PDCWHIVDRNUPSD-UHFFFAOYSA-N	360.458	4.545	50	20	FJGD	
CO[C@H](CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	836498179	LEOPUMDBDLGABS-GFCCVEGCSA-N	360.348	4.891	50	20	FJGD	
CCn1c(C)cc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)c1C	846379757	PVMLXYXKBJUFQX-UHFFFAOYSA-N	359.779	4.554	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)cc1	857511865	BNRLOWXNBIKAQK-LBPRGKRZSA-N	367.276	4.714	50	20	FJGD	
CCOc1ccc(NNC(=O)C2(c3ccccc3C)CCCCC2)cc1	857512551	PKBVTKMEXPMOOY-UHFFFAOYSA-N	352.478	4.739	50	20	FJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)CC1CCCCC1	917094067	LVVNEXLKQDHNIM-UHFFFAOYSA-N	355.462	4.513	50	20	FJGD	
O=C(NN=Cc1ccc2ccccc2c1)c1ccc(F)cc1Br	917552565	KEFAGHOMPSKPDL-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
O=P(CCN1CCC[C@@H]1C1CCCC1)(c1ccccc1)c1ccccc1	917836236	MDXCLPBRUZXFRH-HSZRJFAPSA-N	367.473	4.655	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2OC)c1C	920010066	YNOWFXFOSFASFR-LFIBNONCSA-N	371.868	4.723	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc(Cl)c1O	920068812	CISMCZAIHZJICI-MLPAPPSSSA-N	369.833	4.637	50	20	FJGD	
Cc1ccc(NNC(=O)CCCCC(=O)c2ccc(F)cc2)cc1Cl	1320775207	POSTZGMWVAKNMP-UHFFFAOYSA-N	362.832	4.674	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(C=NNc2ccc(C(=O)O)nc2)c1	1776072905	SUGWKUXOMZQFTL-UHFFFAOYSA-N	371.513	4.610	50	20	FJGD	
N#C/C(=C/c1ccccc1Br)C(=O)Nc1ccccc1Cl	6473518	QFGJAXUEDYGPLF-XFXZXTDPSA-N	361.626	4.648	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	7208170	YKWFIJNWWXLHDZ-MHWRWJLKSA-N	354.793	4.991	50	20	FJGD	
CCCCOc1c(Cl)cc(C(=O)NNc2ccccc2)cc1OCC	70716550	LFJBBZJHBDIJTR-UHFFFAOYSA-N	362.857	4.675	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1O	78517833	BODCSMZGBLIPSO-QPEQYQDCSA-N	366.804	4.715	50	20	FJGD	
C[C@@H](Sc1cccc(Cl)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	105497179	QKGRXOQYLNWWQC-LLVKDONJSA-N	355.850	4.662	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1c(C)noc1C	175635177	JFDAJWSNICISSL-UHFFFAOYSA-N	357.479	4.561	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)c1ccc(F)c(Cl)c1	179615091	HBTCWFJWXSIBDQ-DHZHZOJOSA-N	360.175	4.570	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1Cl	211503878	YWSKNKPQDICGCH-XFXZXTDPSA-N	361.626	4.648	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)s1	588386690	XGRIZFOMYRQUFU-FLIBITNWSA-N	362.401	4.832	50	20	FJGD	
O=C(NN=Cc1ccc(-c2c(F)cccc2F)o1)c1cccc(Cl)c1	734364076	VQYMZRDGWXSMJB-UHFFFAOYSA-N	360.747	4.642	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	737444447	RIQFWKUXRGWPFW-GZTJUZNOSA-N	356.425	4.980	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1	743336857	ODTGVGJIBGOIGE-YFHOEESVSA-N	356.294	4.530	50	20	FJGD	
O=C(NNc1ccccc1F)c1cccc(OCc2ccc(Cl)cc2)c1	748057206	JZCBNJFZHLXAAU-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnc4cccc(C)n34)n2)cc1	748996887	BWCODGIGTPISEQ-MHWRWJLKSA-N	372.453	4.839	50	20	FJGD	
Cc1nc2ccc(C(=O)NNc3ccc(Cl)cc3Cl)cc2s1	762136835	DQGDFDWXRXRADR-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC2(CCN(Cc3ccccc3)C2)CC1	762927303	PGPVVTUJMPBNSE-FOKLQQMPSA-N	357.501	4.539	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(F)cc2C)c1	772818733	YBJSQPJBUTUTNV-UHFFFAOYSA-N	364.420	4.957	50	20	FJGD	
Cc1cc(NC(=O)CCCC[C@H]2CCSS2)nn1-c1ccccc1	772873036	SYIUGCUBNDCQOW-INIZCTEOSA-N	361.536	4.833	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc2ccccc2n1)c1ccccc1C(F)(F)F	777467160	WZUZMKSHCYMGFO-GFCCVEGCSA-N	359.351	4.500	50	20	FJGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1cccc(C(F)(F)F)c1	780375242	UUBQYFAZAAQBAY-MHWRWJLKSA-N	367.330	4.681	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1OC(C)C	783688451	WMQUBHGBJFEDTG-LCYFTJDESA-N	361.850	4.987	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1	785379096	WEPBLDOINOEIAV-YBEGLDIGSA-N	364.788	4.645	50	20	FJGD	
O=C(CCc1cnccn1)Nc1cccc(S(F)(F)(F)(F)F)c1	793821108	ZKHPCUIHZNKNMW-UHFFFAOYSA-N	353.316	4.705	50	20	FJGD	
Cc1ccc(N2CCOC2=O)cc1NCc1ccc(OCCCCl)cc1	811471420	QMUKDKRSKKWYGY-UHFFFAOYSA-N	374.868	4.571	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccc(Br)cc1Cl)c1ccsc1	812217570	ZIMAHYNOMYAVBR-MRVPVSSYSA-N	374.691	4.551	50	20	FJGD	
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812244894	JXALZCWOYQDSSL-WQRHYEAKSA-N	357.369	4.730	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)c1cc(C(F)(F)F)ccn1	812246259	HLKCGZKQKDLQMO-KPKJPENVSA-N	354.278	4.808	50	20	FJGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)C1	814741743	NEONPAVTPCMWTG-MRXNPFEDSA-N	372.509	4.603	50	20	FJGD	
CC/C=C\CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	832067933	WKSQYCBBZQLXHE-ARJAWSKDSA-N	351.362	4.589	50	20	FJGD	
N#C/C(=C\c1cccc(Br)c1)C(=O)c1c[nH]c2cc(F)ccc12	915989798	DVTZGKLCWUHCFD-WUXMJOGZSA-N	369.193	4.859	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1oc(C2CC2)nc1C(F)F	1263769438	ZEUFETUCRVUQPO-UHFFFAOYSA-N	362.163	4.553	50	20	FJGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c(Cl)nc2c1	1317704070	IOXUCLBPSVRITN-IMCXABMTSA-N	367.880	4.799	50	20	FJGD	
O=C(NN=C1CCCC[C@H]1C1CCCCC1)Nc1ccc(C(=O)O)cc1	1776045554	SLUHNRDQCIWPCQ-KRWDZBQOSA-N	357.454	4.633	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccsc3)n2)cc1	6284487	VMSLODNUAHSSTK-CXUHLZMHSA-N	365.483	4.980	50	20	FJGD	
O=C(COC(=O)CCCC[C@H]1CCSS1)Nc1ccccc1Cl	6398909	DJKQOILVZQTYHR-LBPRGKRZSA-N	373.927	4.536	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1coc2ccccc12	113985911	WQPSYNNRDJRXBQ-UHFFFAOYSA-N	365.614	4.606	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1cccc(Cl)c1Cl	117731174	CVNLYYSSJCSPJY-SECBINFHSA-N	374.699	4.537	50	20	FJGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)oc2ccc(Cl)cc12	132741414	DGCBIEJVRVCSBR-UHFFFAOYSA-N	370.623	4.853	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@@H]1CC=CCC1	183525886	UGARMJSZGMHJKF-SNVBAGLBSA-N	370.343	4.507	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1OC(F)F	211451741	COZIOTKPRXAGCL-GZQZNAIASA-N	370.399	4.689	50	20	FJGD	
CC(C)(NCCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1	725799995	VWHAVNLKLQSAGD-UHFFFAOYSA-N	363.441	4.525	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	726429224	GJVFLPXQOABAQD-VKRGWIQLSA-N	358.182	4.573	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2cccnc2)c1C	733415851	OOJFLTKXSPMWIP-RONKMWSCSA-N	351.450	4.511	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3cccc(Cl)c3)on2)c(C)c1	743764360	OBOPFEKGOUUMLM-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)cc1	746887019	ORMAVHNBMASFLL-UHFFFAOYSA-N	370.355	4.523	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1	753689678	QKSZXMDREPVFIM-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
N#C/C(=C\c1ccc(Br)c(Cl)c1)C(=O)c1ccsc1	754829593	YIFKFYHPUUYKRT-VZUCSPMQSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)Nc1ccc(Cl)cc1Cl	756018590	OTACBPIEBZTVED-UHFFFAOYSA-N	371.171	4.617	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cc(Cl)cc(C(F)(F)F)c2)ncn1	773177754	XQDFPWDDYZJNKZ-WTDSWWLTSA-N	355.772	4.935	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(Cl)cc2cccnc12	775476287	ZPUJXZUPYZFRGY-UHFFFAOYSA-N	363.808	4.585	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)c1ccccc1OC(F)F	775638979	JHURQAGGJYJIRT-XFFZJAGNSA-N	351.711	4.870	50	20	FJGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNc1ccccc1C(F)(F)F	775755896	WIJWZNASQRGJKV-GFCCVEGCSA-N	369.391	4.658	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)cc(Cl)cc2C)cc1OC	776189635	JAUDVAYYGBXDGZ-NTEUORMPSA-N	370.836	4.520	50	20	FJGD	
CCCN(N=Cc1ccccc1OCc1ccncc1)C(=O)OC(C)(C)C	794997331	XJNIEFMOAOFDKZ-UHFFFAOYSA-N	369.465	4.642	50	20	FJGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)c1ccccc1F	800804971	MJXLJZLMVKANPH-UHFFFAOYSA-N	352.331	4.583	50	20	FJGD	
CC1(C)CC[C@@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	805110056	NSWNCGIHPCHJOA-NSHDSACASA-N	365.389	4.811	50	20	FJGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)c(C)n1[C@H](C)c1ccccc1	808247217	UHSNCAIAZOPYSQ-CYBMUJFWSA-N	353.293	4.590	50	20	FJGD	
C/C(=C/c1ccc(OCCCCl)cc1)c1nc(O)c2ccsc2n1	811694000	RMHHCZRXUPUPBL-QXMHVHEDSA-N	360.866	4.965	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)c1cc(C(F)(F)F)ccn1	812247125	ZLMFNLMTESUNRK-XFFZJAGNSA-N	358.298	4.694	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1csc2ccccc12	812435302	DVFVUUPGPAPFDJ-UHFFFAOYSA-N	358.463	4.673	50	20	FJGD	
COC[C@@H](C)Oc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	853008719	XPPPCLHCJXWCIJ-GULXKOIASA-N	362.351	4.578	50	20	FJGD	
C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	893554741	AGMNOQUSYIXFQT-WVDJIFEKSA-N	351.406	4.543	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c(C)c1	1115843738	GUIJOPFWAWLMIU-ZHZULCJRSA-N	359.473	4.758	50	20	FJGD	
O=C(COCc1ccncc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	1323410011	YAOUBANMQIXMRH-UHFFFAOYSA-N	368.327	4.894	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CC[C@](C)(C(=O)O)C2)c1	1776500589	KQEZJCMHJMODMD-JXFKEZNVSA-N	363.574	4.804	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cc3ccccc3nc2Cl)cc1	7765983	KVDGIYJDKMJEHC-LICLKQGHSA-N	362.816	4.847	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccccc1F	11334042	VYDRSLIMFBJWFZ-ACCUITESSA-N	362.316	4.784	50	20	FJGD	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1	16500348	MCQYMSHHRADFBI-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
O=C(CCC(=O)c1cccs1)NN(c1ccccc1)c1ccccc1	36725097	WFBAOPVRGPWHRS-UHFFFAOYSA-N	350.443	4.581	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2coc(-c3ccccc3)n2)c(C)c1	109707530	AZQONQISTVMZBK-WOJGMQOQSA-N	357.413	4.813	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2c(Cl)cccc2Cl)c1	133393158	ZBXMKFWAFLFRGS-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2SCc2cc(C)no2)c1	153045054	DJRKFBVXUXGDOE-UHFFFAOYSA-N	367.474	4.649	50	20	FJGD	
N#C/C(=C\c1nccn1CC(F)(F)F)C(=O)c1cc(Cl)cc(Cl)c1	171541526	VPMDRBNICYZJKQ-BJMVGYQFSA-N	374.149	4.542	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	179615575	QSMHHSXVGJPINC-AZZDOICSSA-N	354.768	4.560	50	20	FJGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261150	BHNWKIIBUXKWPX-MRVPVSSYSA-N	361.336	4.543	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(-c2nc3ccccc3s2)o1	212025677	REVIEEASYMUILN-QBFSEMIESA-N	352.415	4.807	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nn(-c2cc(C)ccc2C)c1Cl	726428576	AIUUVLTZZIVDFE-YDRQLGOLSA-N	355.869	4.973	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(NC(=O)C(F)(F)F)c2)c1C	727655544	XLVLIRDRQGAIAX-DHDCSXOGSA-N	372.346	4.594	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H](OC2CCCC2)c2ccccc2)c(C)c1	743765076	YWNVTPAWVVRWLQ-NRFANRHFSA-N	352.478	4.755	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(OCc3cccs3)c2)c1	748419169	RXQVNJWUEHNYBJ-UHFFFAOYSA-N	352.459	4.701	50	20	FJGD	
O=C(C[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1)c1ccco1	758698417	ODJCLJAYMBKVPN-LSDHHAIUSA-N	367.536	4.558	50	20	FJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccc(F)cc2F)C1	767083701	DJGHVZUWDUUNGH-GOEBONIOSA-N	354.441	4.564	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(N3CCCc4ccccc43)cc2)cc1	771011745	JJPOYBYYIFMIDV-UHFFFAOYSA-N	373.456	4.536	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3c(C)cccc3F)cc2)cs1	771107561	UUCGXWMRCIQRKL-UHFFFAOYSA-N	356.426	4.715	50	20	FJGD	
C/C(=C/C(=O)NNc1c(C)cccc1F)c1cccc(C(F)(F)F)c1	771707917	UGEPDIGDMYQIEG-XFXZXTDPSA-N	352.331	4.700	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)CCSc1ccc(F)cc1	774341273	CIXKBIJEAXTNGP-UHFFFAOYSA-N	350.381	4.533	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)c1	782447334	SLJHIFSOMITOJV-JQFNYASXSA-N	374.396	4.562	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1OC(F)(F)F)c1cnc2ccccc2n1	789148885	ULLMOJAQVIDJCD-DHZHZOJOSA-N	359.282	4.732	50	20	FJGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1	790215624	MRWXDYTXEYMYAI-GXDHUFHOSA-N	368.223	4.969	50	20	FJGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1cc(Cl)cc(Cl)c1	791727623	ZCUQXLNIJJBVRF-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)cc2F)sc2cc(F)ccc12	806866370	PKSNSYUCBBFPOQ-UHFFFAOYSA-N	354.328	4.523	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(O)c2Br)s1	840721819	ZWQYGKOFOJLVHQ-YRNVUSSQSA-N	363.280	4.973	50	20	FJGD	
CC[C@H](C)NC(=O)[C@@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	842164815	ZJWMDECTFUFBMU-WDEREUQCSA-N	360.392	4.737	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(F)c1	856529317	DSFZNMUFWWNLBF-VCHYOVAHSA-N	353.441	4.754	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1CO	856856998	PPQUAROPQAGEGS-QWRGUYRKSA-N	374.375	4.826	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1Cl	1115966172	NEWOGECFODUDHN-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)O)s3)n2)cc1	1777342908	GPXMXWHYQZHPSK-XYOKQWHBSA-N	368.439	4.643	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)c1ccc(Br)s1	171670991	YGJWYDGILAKQEC-WEVVVXLNSA-N	354.175	4.579	50	20	FJGD	
CN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCCC1	187240037	RWNCTJTZDJJZQL-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(Cl)c(F)c3)nc(O)c2c1C	255173319	JHWAUAGIITZAGX-VZUCSPMQSA-N	359.813	4.870	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc(C)c1OC(F)F	732716198	KNDCTKBMOYSJLM-WJDWOHSUSA-N	362.420	4.603	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1c(Cl)cccc1OC(F)F)c1ccccc1	732924644	BMQWIYPRVYCHKC-CYBMUJFWSA-N	366.795	4.585	50	20	FJGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(SC(F)F)cc1	734979336	NSFBDKOXKALEBJ-UHFFFAOYSA-N	370.808	4.514	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ccc3ccccc3n2)c1C	735799096	LNVOBVZQZPUCNQ-ZHZULCJRSA-N	372.472	4.633	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1	741469810	XGIDSRZRQFWQHI-RCCKNPSSSA-N	368.436	4.586	50	20	FJGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1	745838176	HJGUEZNPYNADSP-HNNXBMFYSA-N	367.921	4.584	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3cc(C)ccc3C)o2)c(C)c1	748400413	GZOZESYFTYPZNC-UHFFFAOYSA-N	364.445	4.849	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)ccc1OC	749674269	MAPJWNTUEFPRPI-UHVIJJLKSA-N	357.450	4.655	50	20	FJGD	
Cc1ccc([C@@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1[N+](=O)[O-]	752056273	UFIGIBUIGUDAKF-HIFRSBDPSA-N	368.524	4.795	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1C#N	766489415	DWBJTCMJTWXCGZ-AUWJEWJLSA-N	368.190	4.602	50	20	FJGD	
Cc1cccc2[nH]cc(CC(=O)NNc3c(Cl)cc(F)cc3Cl)c12	767407383	PJDORJYREYUQLK-UHFFFAOYSA-N	366.223	4.608	50	20	FJGD	
O=C(NN=Cc1scnc1C1CC1)c1cc2c(s1)CCCCCC2	782167638	XNNAJSSYYYDEDN-UHFFFAOYSA-N	359.520	4.505	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1)c1ccccc1	789147599	JILBPAFELOKXIK-JMPLCFMRSA-N	363.442	4.578	50	20	FJGD	
Cc1cc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)ccn1	790719300	ZNQSWYWMWLYGLI-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ncc(Cl)cc3Cl)sc12	809775039	YJKKZCIENHMGFE-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)C(=O)Nc1ccccc1	811685810	CVWAYYGNXAGOEE-ILYHAJGMSA-N	354.356	4.780	50	20	FJGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817914573	VAOXRHYFUXVONB-RAXLEYEMSA-N	362.376	4.643	50	20	FJGD	
C[C@H](CCCO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836497971	BUYJBKBPDCZKNX-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H](CN)C1	850735330	VTCBBWKWBBXFCU-PWSUYJOCSA-N	373.391	4.935	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cc(C3CC3)no2)CC1	852208400	HLJBWQRXCPBSND-UHFFFAOYSA-N	350.579	4.786	50	20	FJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	873838683	BFIRWSBKQZZHTD-VWLVURMCSA-N	361.850	4.554	50	20	FJGD	
O=C(NN=CC1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12	916284876	XMVNYPXCLKDQDA-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1	917208059	WSXNGJRNNQHODK-UHFFFAOYSA-N	367.404	4.666	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC#N)c2)cc1	917619719	LUPLKHIZRJWVCE-CXDFQFJYSA-N	359.429	4.648	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(Cl)cc2Cl)n1	920386751	DXOTYIOBUKKYIE-BJMVGYQFSA-N	353.230	4.691	50	20	FJGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)[C@@H](C)c1cc2ccccc2s1	1776096260	RTRNXUUUXVBSGG-GFCCVEGCSA-N	366.442	4.509	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl	59404866	LUNJHXJASKYHIY-WTKPLQERSA-N	368.201	4.509	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C#N)cc2)cc1	110654467	PIFAQDPDCCIEFD-PNWWAVQQSA-N	373.456	4.866	50	20	FJGD	
O=C(NNc1ccccc1F)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	153101963	PXBXHUNEBPPDTR-KGLIPLIRSA-N	367.449	4.629	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1F	175189181	FFBXBMDLRZGYOK-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193051656	ZWGCFVGAPLFREH-VIFPVBQESA-N	360.348	4.539	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1	195690237	DKHIIGIPUOMUHS-UHFFFAOYSA-N	374.611	4.620	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nn(-c2cc(C)ccc2C)c1Cl	726428573	AIUUVLTZZIVDFE-ATTDUZETSA-N	355.869	4.973	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCc3c(C)cccc32)c1C	729442960	ZGPUPKUOUMMNIG-JJEHFPDLSA-N	361.489	4.534	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)c1nc3cc(F)ccc3s1)O[C@H](C)C2	730148027	ASKPCVPIHVBJFB-JBARUQGQSA-N	366.417	4.832	50	20	FJGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(-c2c(F)cccc2F)o1	734364187	XUMBRLZTTALTEX-UHFFFAOYSA-N	374.774	4.571	50	20	FJGD	
CC(C)C[C@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	740922836	ZIFAVHNOMIFTCY-KRWDZBQOSA-N	361.283	4.722	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(C#N)c2)cc1	741853354	XKLKZVWCSLFXPE-UZUMKDMXSA-N	359.429	4.626	50	20	FJGD	
Cc1cc(C)c(NNC(=O)CCc2ccccc2OC(F)(F)F)c(C)c1	743765264	KAAUZRKDKLMZEO-UHFFFAOYSA-N	366.383	4.586	50	20	FJGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1ccc(Cl)c(Cl)c1	746689257	GBCANSPQVKDUKR-VIFPVBQESA-N	366.273	4.850	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2cccc(Cl)c2o1	753330139	XCMFTDFBUWXSHR-UHFFFAOYSA-N	354.715	4.862	50	20	FJGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2cc1O	753921604	LVXFTZFIDBGLJS-UHFFFAOYSA-N	364.832	4.862	50	20	FJGD	
N#C/C(=C/c1sccc1Br)c1nc(-c2ccccc2)no1	764884579	FUCHZYICNSDOQC-FLIBITNWSA-N	358.220	4.625	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(CC(F)(F)F)c1	771160184	RNTHMLBSVIBNLX-UHFFFAOYSA-N	361.726	4.733	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773154722	ZKJCKFUOGNEURV-WZUFQYTHSA-N	355.237	4.913	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1	774563149	XGEZSLGLNRUULF-SFQUDFHCSA-N	351.406	4.514	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1	787532956	HYYLWZGILMZHBK-VZUCSPMQSA-N	366.726	4.610	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)c1cc(C)nc2ccccc12	788699662	HTVGBQHCFZNCOL-UHFFFAOYSA-N	351.837	4.523	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c(OC)c1OC	797406010	NHQNPEITHCVRTE-LCYFTJDESA-N	358.463	4.531	50	20	FJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)c1ccoc1	806556964	ILNCRLXUVYWCIZ-MFOYZWKCSA-N	365.820	4.585	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)cc1	811471825	LFZNZAPFEGCIJY-QFIPXVFZSA-N	372.940	4.621	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1	817904699	MMSZXIGDYCNYMH-UHFFFAOYSA-N	364.420	4.957	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@@H](CF)C1	841686422	OXZCMOSPXMJOGQ-JTQLQIEISA-N	364.311	4.546	50	20	FJGD	
O=C(NCC1=CCCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	850686923	ZEMNVWWJKQHTDH-UHFFFAOYSA-N	370.343	4.509	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2sc(C)c(C)c2C#N)c1C	893175271	FFTBETFIJYRALT-MFOYZWKCSA-N	366.490	4.611	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3cccc(Cl)c3)o2)cc1	1326073459	YSFVNLLYZMWBTE-XNTDXEJSSA-N	351.793	4.853	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(CCCc3ccccc3)o2)cc1	1329075943	XVCDEGXPDXTPGV-XDJHFCHBSA-N	359.429	4.708	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)s2)cc1	1776697482	FXLAWWLKSZWBPF-GVIGZQTCSA-N	354.431	4.505	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1ccccc1C(F)(F)F	44025624	FBIDNMBECWQSBH-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(C)n(Cc2ccco2)c1C	55040881	UYXGBHFRBNCIAR-LICLKQGHSA-N	350.443	4.906	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cs1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	195334082	XZXZJHXTFNSBNO-WEVVVXLNSA-N	373.890	4.642	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc2[nH]c3c(c2c1)CCCC3	301218910	VEOZJEOQDYYKHI-UHFFFAOYSA-N	373.378	4.822	50	20	FJGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2cccc(C(F)(F)F)c2)c1	727758737	GJLHOMWUVHVZBT-NSHDSACASA-N	372.774	4.578	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	728785509	JNYRLXSZBNQISW-GDNBJRDFSA-N	362.820	4.584	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCCCC(C)(C)C)c1C	729389132	WVHLKCWFRGHFJC-UOBPLZBXSA-N	373.541	4.552	50	20	FJGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(Br)s1	730435931	HHSOIUPYFAZPEV-FMIVXFBMSA-N	362.248	4.699	50	20	FJGD	
C[C@@]12CC3CC(C(=O)NNc4ncccc4C(F)(F)F)(C1)C[C@](C)(C3)C2	740096721	VCBKRVXPQRKNIC-FGKMVVGBSA-N	367.415	4.540	50	20	FJGD	
CC(=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C1CCC1	747627593	KRUFKSGLKMHQHY-UHFFFAOYSA-N	356.853	4.825	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)Oc1ccccc1F	748670818	WUCKGXPXZSFMDA-ZDUSSCGKSA-N	372.465	4.930	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1ccc(COCc2ccccc2)cc1	770040442	ZBFZIHAZBVHKGA-UHFFFAOYSA-N	365.408	4.691	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)c1cc(F)cc(F)c1	772176597	NZFJMRXFAXCRIJ-LFYBBSHMSA-N	353.246	4.653	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)cc(Cl)c1Br	785783876	OWHJGRMOKGGEBI-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	789996328	NYEPZMAKAIXIBP-UHFFFAOYSA-N	354.397	4.715	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)cc1	798344268	BFKWLSYQXKWYEM-LDADJPATSA-N	350.466	4.661	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccoc1	806558187	VHYWIVQTEXTXMG-MHWRWJLKSA-N	360.325	4.770	50	20	FJGD	
CCn1cnnc1-c1cccc(NCc2ccc(OCCCCl)cc2)c1	811469753	LUAQETLZQQISIO-UHFFFAOYSA-N	370.884	4.585	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](C#N)C3)cc2C1	814758814	IPYBBLKFOJKRFM-UKRRQHHQSA-N	357.523	4.699	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3cccc(Cl)n3)sc2C)cc1	817009000	QGOXGMMMHZCHGY-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(CC(C)C)nc1C(F)F	832322667	QWEUEAFUCBGOCX-UHFFFAOYSA-N	364.440	4.665	50	20	FJGD	
CCOc1c(Cl)cc(C(=O)NNc2ccc(C(C)C)cc2)cc1OC	837058767	UQQJNZRWAJREAW-UHFFFAOYSA-N	362.857	4.628	50	20	FJGD	
C[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NC(C)(C)C	842163201	MDJHCCSHTAHVLE-JTQLQIEISA-N	360.392	4.737	50	20	FJGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2ccccc2Br)s1	915974046	IIWUWRAUDCGWNQ-LLVKDONJSA-N	365.296	4.674	50	20	FJGD	
O=C(O)[C@H](CC(F)F)NCc1cccc(S(F)(F)(F)(F)F)c1	1332011872	ITSVSZWPSYFTBS-VIFPVBQESA-N	355.275	4.542	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C(=O)O)c2)cc1	1776697765	RGSJJFSNMQJIHF-JVVDOCDTSA-N	362.429	4.752	50	20	FJGD	
O=C(NCC1CCOCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	184414288	DYSJTOGZUWIVPP-UHFFFAOYSA-N	360.348	4.892	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)co2)cc1	255291440	KRMJEIFZVZCFOK-WQRHYEAKSA-N	357.413	4.813	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)cc1	255338230	AOVAJOQUULGPHA-MHWRWJLKSA-N	374.362	4.790	50	20	FJGD	
Cc1ccccc1OCCN(C)C(=O)CCCC[C@@H]1CCSS1	302852628	ZMSWKSQQNPMXOU-MRXNPFEDSA-N	353.553	4.546	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cccnc3C)n2)cc1	728785718	KZAOLEMRJCPGDQ-WOJGMQOQSA-N	374.469	4.622	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	747041019	DLNVDOQTEINPIY-LCYFTJDESA-N	361.228	4.856	50	20	FJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(F)cc1Br	748073432	AKHKOBOUJOFDIO-UHFFFAOYSA-N	365.246	4.643	50	20	FJGD	
Cc1c(NNC(=O)c2cc(C)n(C3CCCCC3)c2C)cccc1[N+](=O)[O-]	748670329	GKSKKDAHZJKDSI-UHFFFAOYSA-N	370.453	4.584	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)c1nnc2n1CCCCC2	761392431	LYPPIHUOBCHEJP-FLIBITNWSA-N	351.212	4.515	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NNc3ccc(OC(F)(F)F)cc3)cc2C1	761590101	DAFVOBCESINOEH-JTQLQIEISA-N	370.396	4.528	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cccc(Nc2ccccc2)c1	771673583	GVRBKRJWHHUAQP-UHFFFAOYSA-N	355.800	4.980	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cc(Cl)cc(Cl)c1	775415518	VNYNBDHMJFVOMK-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1ccc(F)cc1F	775544586	GGNOAQNBEGTNDK-UHFFFAOYSA-N	351.422	4.534	50	20	FJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1ccc(C(C)(C)C)cc1	780804376	ARHQRJUPODARSR-UHFFFAOYSA-N	355.463	4.766	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc(F)ccc1Oc1ccccc1	787311597	WPBSZTHBLTYZLK-FOWTUZBSSA-N	374.371	4.869	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1SCCc2sccc21	791733287	QOGKBBIPBBDOHO-ZDUSSCGKSA-N	359.303	4.529	50	20	FJGD	
CCCC[C@H](C)C(C)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	807951312	POCCOIXGXCANGA-ZETCQYMHSA-N	365.692	4.556	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1	817915446	NKRWJXICMGQDQU-UHFFFAOYSA-N	363.461	4.592	50	20	FJGD	
CC(=O)NC1CCC(NCc2cccc(S(F)(F)(F)(F)F)c2)CC1	840891823	DUXCULIBXUFMIH-UHFFFAOYSA-N	372.403	4.881	50	20	FJGD	
CC1(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCNCC1	841180150	XOSUSJGQHDDPTR-UHFFFAOYSA-N	359.364	4.608	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC(C)C	915851538	QOEBPSJLHRRUCN-YBEGLDIGSA-N	360.413	4.754	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	6209442	RXFBKASZMRKQFB-UKTHLTGXSA-N	360.385	4.556	50	20	FJGD	
Cc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F	97550261	ZYGDOJNUHUPUCZ-QPEQYQDCSA-N	370.232	4.779	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F	98125357	FTHICHIXANAYIV-PXNMLYILSA-N	361.401	4.894	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(Oc3ccncc3)c2)cc1	181154638	YPGYOTRABXHNAU-UHFFFAOYSA-N	361.445	4.928	50	20	FJGD	
Cc1cc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)on1	184411589	UOHYNMWFDNVSSG-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
CC1(C)[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1O	192255391	ZIKQMQUYGLYTQP-WDEREUQCSA-N	360.348	4.625	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1OC	194578049	PGYGFMJVDBFJEJ-LICLKQGHSA-N	373.437	4.763	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1)C1CCCCC1	732716778	ZGIXGUGNWRQFKV-SDXDJHTJSA-N	352.478	4.706	50	20	FJGD	
CC[C@H](CC(=O)NNc1ccc(Br)cc1)c1ccc(C)cc1	738507508	PYHFDITWMSBMSH-CQSZACIVSA-N	361.283	4.785	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1C#N	741844750	SHPYYWNPYGXMEF-LHHJGKSTSA-N	357.196	4.664	50	20	FJGD	
CC1(C)CCCC1=NNC(=O)c1ccc(NN=C2CCCC2(C)C)cc1	749857044	AZJPNFFQEMDNFQ-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
CCCc1c(C(=O)NNc2c(C)cc(C)cc2C)cnn1-c1ccccc1	752632134	KHMBOJXWVMIRPU-UHFFFAOYSA-N	362.477	4.507	50	20	FJGD	
O=C(NNc1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1	755558796	PENAHPIAQPVJDJ-UHFFFAOYSA-N	371.462	4.634	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)Nc1cccc(Cl)c1Cl	756257058	CGALQQUXWIRWNS-GHXNOFRVSA-N	360.175	4.550	50	20	FJGD	
N#C/C(=C\c1cc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1	758421994	KTQKVBMLPZDPTH-MHWRWJLKSA-N	359.859	4.893	50	20	FJGD	
COc1ccc(C(C)(C)C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	768009229	LHYHOZREAWBZND-UHFFFAOYSA-N	371.239	4.562	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1c(F)cccc1Cl	770197982	YAIRJKHONQXJIO-UHFFFAOYSA-N	350.821	4.551	50	20	FJGD	
N#C/C(=C\c1cc(Br)ccc1F)C(=O)c1cc(F)cc(F)c1	772177355	UTIWXSAFVWCSCG-QDEBKDIKSA-N	366.136	4.656	50	20	FJGD	
COc1ccc(NNC(=O)C2(c3c(Cl)cccc3Cl)CCC2)cc1	774003239	VZGUIOWEXIPSKR-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](Br)C(C)(C)C	781073791	PBVQBQMXIDOJLF-XHDPSFHLSA-N	352.272	4.762	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc2c(c1)c1ccccc1n2CC	786043248	VDXDMHRDCOSEDI-FOWTUZBSSA-N	352.459	4.504	50	20	FJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2ccc(C#N)c(Cl)c2)c1	790019813	JAEDEONFEJGCHX-CQSZACIVSA-N	371.868	4.637	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cn1	790101440	YKEVYZOIVLGDRE-ZSOIEALJSA-N	352.438	4.739	50	20	FJGD	
CCn1ncc2ccc(NC(=O)NNc3cc(Cl)cc(Cl)c3)cc21	792276740	DOEOBQBTGNMHOV-UHFFFAOYSA-N	364.236	4.512	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1	794883923	FANQQZXGOPSKKC-GZTJUZNOSA-N	364.351	4.935	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn(CCF)c1	808715016	ROZFPTCWLOVQNC-UHFFFAOYSA-N	359.295	4.762	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(Br)c1	812764752	GDBOLIFYVUTWCO-UHFFFAOYSA-N	361.283	4.946	50	20	FJGD	
C[C@H]1c2ccc(Cl)n2CCN1C(=O)CCCC[C@@H]1CCSS1	848090839	KQRKYQPSOSHGSC-QWHCGFSZSA-N	358.960	4.759	50	20	FJGD	
CC1=NO[C@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	879198567	GJXBVTLYCNHBGK-JTQLQIEISA-N	359.320	4.630	50	20	FJGD	
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)cc1	917515982	FTWJJZPPKHSLLF-VBKFSLOCSA-N	350.393	4.693	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1(Sc2ccccc2)CC1	1319428934	WAYKXAREDXDUFY-UHFFFAOYSA-N	369.877	4.656	50	20	FJGD	
C[C@H]1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@@](=O)C1	1335000417	GDUZVMGLIOQENF-WIUDPPPLSA-N	363.417	4.544	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H](C(=O)O)c2ccccc2)c1	1776269172	ZXHDEPJQVVCRCK-LJQANCHMSA-N	371.553	4.986	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl	72042030	PZBWCCIHHFZQQQ-POHAHGRESA-N	367.619	4.898	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(-c3ncco3)ccc2C)cc1	124128792	SOUDMICQWOVLDV-PDGQHHTCSA-N	373.412	4.594	50	20	FJGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)n2c1	151411621	JLABJJUHJWRGLW-MLPAPPSSSA-N	360.804	4.567	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccccc2c(Cl)n1	171517002	ZYYGQXMIZGGGCJ-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)c1c(C)noc1C	175631952	LJVOQTPBFWTMJI-NSHDSACASA-N	357.479	4.732	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)ccc1F	178874021	VOAPPGGTEVMQIX-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)c1cccc(F)c1	193162501	ZTXNXKIDLNXFJF-YBFXNURJSA-N	358.372	4.590	50	20	FJGD	
COc1ccc(CN(C)C(=O)CCCC[C@@H]2CCSS2)cc1F	247894751	ODUSRAQTEZOFRY-CQSZACIVSA-N	357.516	4.507	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Br)cc2F)s1	729819884	GZKVWTAGXGBFBA-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Oc2ccccc2)ccn1	745989383	RHIYCVSAOUDQKR-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccc(Nc2ccccc2)c1	746701620	QSRPVSSPINCFAV-UHFFFAOYSA-N	357.335	4.604	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)nc1	748018309	OZCKHADCHOSICS-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752983325	XUURYHKRXURLBQ-LBPRGKRZSA-N	360.348	4.579	50	20	FJGD	
O=C(NN=Cc1cnc(C2CCC2)s1)c1cc2c(s1)CCCCC2	760242095	PYLWRRLXDVUDAS-UHFFFAOYSA-N	359.520	4.505	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(O)c(C)cc2C)c1C	762702670	GYHBTNWJTZOCKI-ODLFYWEKSA-N	365.477	4.773	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)cc1	767903706	BLBDWTDOADJLQF-LCYFTJDESA-N	367.380	4.634	50	20	FJGD	
C=CCC[C@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	779008051	CNFJAWIQUNMMJC-KRWDZBQOSA-N	359.267	4.642	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccc(F)cc1	789129678	XENHOMGHFBAXAO-MHWRWJLKSA-N	365.795	4.514	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1	794687392	SXBMUJHDTKODDG-MLPAPPSSSA-N	360.364	4.720	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cscc1C(F)(F)F)c1ccccc1	811628445	XZTWBPMEIHSMFD-WDBUWWRISA-N	364.392	4.941	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1nc2ccccc2s1	813027526	YUVBRYZUWHXFCA-UHFFFAOYSA-N	354.479	4.554	50	20	FJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H](CN)C1CC1	841179077	JLWFRUSNNZWGDT-GFCCVEGCSA-N	359.364	4.545	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cccc(C(F)(F)F)c1	915975981	GYUXJHVWJPDZMH-UHFFFAOYSA-N	356.347	4.551	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	916361625	CMGNERHWGOBBIE-UHFFFAOYSA-N	354.356	4.514	50	20	FJGD	
CC(=O)Nc1c(C)ccc(NC(=O)CCCC[C@H]2CCSS2)c1C	918373201	VMESGPLWKNROHQ-HNNXBMFYSA-N	366.552	4.914	50	20	FJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccnc3)n2)cc1C	7210352	VIEPNNLDCKUYFF-RQZCQDPDSA-N	374.469	4.676	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	54802053	NZVNFPXDWQGQKD-GHRIWEEISA-N	362.429	4.562	50	20	FJGD	
CC(C)c1ccsc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	124623907	IXJXUELKYSJKFK-UHFFFAOYSA-N	358.385	4.570	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1C#N	132602682	RTSDEWYKBMWTFN-JYRVWZFOSA-N	357.196	4.664	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1nc(-c2ccncc2)cs1	209261737	RJPKHTGGRUQQIZ-NTEUORMPSA-N	355.369	4.871	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)c1nc(-c2ccc(C#N)cc2)cs1	254945593	RPSJZHGFVSYLPI-RZNTYIFUSA-N	365.364	4.730	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F)c1ccccc1	733204987	GLHSEBZVVKYIHJ-KMHUVPDISA-N	362.326	4.629	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1	741468316	FCALNUDXTJJXPS-LKKYZFDUSA-N	361.367	4.803	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1OCC	741473882	UGMSWFOEKPVWTP-WJDWOHSUSA-N	362.433	4.518	50	20	FJGD	
CN1CCCN(C(=O)CCCC[C@@H]2CCSS2)c2ccc(F)cc21	746336977	MGCMHEAFOHHOGU-OAHLLOKOSA-N	368.543	4.713	50	20	FJGD	
O=C(CC1CCCC1)NN=Cc1sc(Nc2ccccc2)nc1Cl	749449476	GOTYVCXYLCRZFE-UHFFFAOYSA-N	362.886	4.571	50	20	FJGD	
CN(Cc1ccc(C(F)(F)F)cc1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750033029	LRDZOWDZSDMZBF-YVLHZVERSA-N	361.323	4.610	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1c(F)cccc1F	752142935	SQIBBPOAPBOICV-UHFFFAOYSA-N	352.793	4.519	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)c(F)c2)s1	757918783	FHAPUELSPHCZRO-WUXMJOGZSA-N	369.339	4.927	50	20	FJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(F)cc1Cl	767754494	IOTDCANQDLOVIJ-CYBMUJFWSA-N	370.811	4.550	50	20	FJGD	
CCOc1ccc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)[nH]c2c1	780809151	OOHDMDGTIQWQDR-UHFFFAOYSA-N	351.450	4.621	50	20	FJGD	
CC[C@H]1CCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782978692	IBTAJMDRLKMEEK-JTQLQIEISA-N	365.389	4.907	50	20	FJGD	
O=C1CC[C@H](C(=O)NN(c2ccccc2)c2ccccc2)c2ccccc21	785783859	OBGDXMYVYYYAJS-NRFANRHFSA-N	356.425	4.616	50	20	FJGD	
Cc1ccc(N(Cc2cccs2)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787346265	OJVZITFSQWBVSD-AQTBWJFISA-N	374.465	4.903	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)c1ccc2ncccc2c1	794885745	VVUUQRLLZWPVPO-MFOYZWKCSA-N	360.800	4.613	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)C1CCOCC1	794958492	MSPQRDFKFSMAKU-SXGWCWSVSA-N	369.367	4.660	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	806565505	MVUVDZGADJNXGA-ONNFQVAWSA-N	373.256	4.598	50	20	FJGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3c(C)cccc3C(C)C)c2)cs1	812765008	RTLJMWRZZIEISN-UHFFFAOYSA-N	354.479	4.635	50	20	FJGD	
CCCC[C@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841180240	YVFXSANLYRTRCY-LLVKDONJSA-N	361.380	4.983	50	20	FJGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377220	QEDBBMAEQPLXIY-SSDOTTSWSA-N	362.701	4.781	50	20	FJGD	
N#C/C(=C/c1c(OC(F)F)ccc2ccccc12)C(=O)Nc1ccccc1	915843834	JGWONMIVUXLWBX-QINSGFPZSA-N	364.351	4.987	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2c(C(C)C)nn(C)c2Cl)c1C	915984466	LFQGEHWPLLMGLE-XNTDXEJSSA-N	372.900	4.815	50	20	FJGD	
Cc1cc(C)c(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1C	916359833	BMIRHLNWSVULLV-UHFFFAOYSA-N	362.429	4.548	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)COc1cccc(C)c1	917207883	NKVKAAGQBCEFLY-UHFFFAOYSA-N	364.445	4.613	50	20	FJGD	
CC(C)n1ncc2c1[C@@H](NC(=O)CCCC[C@H]1CCSS1)CCC2	1321183315	BZIPWWLMJWPBFV-HOTGVXAUSA-N	367.584	4.672	50	20	FJGD	
C[C@H](NC[C@@H](CBr)C1CC1)c1nc2ccccc2n1C(F)F	1329798471	PICOKUDBJGWYGO-CMPLNLGQSA-N	372.257	4.503	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC	59534931	RCHBISPUAKFOAR-VBKFSLOCSA-N	368.408	4.559	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc(OC)c1O	60790652	JPEDDZBGFUJYSZ-YVLHZVERSA-N	372.424	4.709	50	20	FJGD	
Cc1cc(Br)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	153613109	DOWKFPWWDIHMGN-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
N#C/C(=C/c1nc(-c2ccccc2)c[nH]1)c1nc2ccccc2n1C(F)F	193128445	RHTGEJUHIIEENM-UVTDQMKNSA-N	361.355	4.886	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1coc(C2CCC2)n1	193773564	HPDIKOHZOIYENL-UHFFFAOYSA-N	360.628	4.659	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c(SC)cc1OC	254943485	VDMUZEHNNVSLSL-NVNXTCNLSA-N	370.430	4.707	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@H]2CCSS2)[C@@H]1c1cccnc1	292281826	HRGXQBRJBALHLH-DOTOQJQBSA-N	350.553	4.705	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cnccc3C)c2C)cc1	729404666	LIRXESCGHWIPEM-NDENLUEZSA-N	370.456	4.652	50	20	FJGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1cccc2cccnc12	747361962	GBWPTRNERGLDCH-UHFFFAOYSA-N	365.436	4.783	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1C(F)(F)F	751454336	BJVHWOVLZLKUKI-LQELWAHVSA-N	362.326	4.629	50	20	FJGD	
C[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1	754125765	YNYCMXYPAMIJQQ-LJQANCHMSA-N	355.462	4.559	50	20	FJGD	
CCCn1c(C)c(C(=O)NNc2cc(C)ccc2F)c2cc(OC)ccc21	760137025	MRLFZQMNSKNAMQ-UHFFFAOYSA-N	369.440	4.573	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1	771521781	VLCQQBASJGJTJI-JYRVWZFOSA-N	367.202	4.689	50	20	FJGD	
N#C/C(=C\c1nc2c(s1)CCCC2)c1nc2ccccc2n1C(F)F	776265844	MUPXWLGIFYCDRQ-PKNBQFBNSA-N	356.401	4.831	50	20	FJGD	
COc1ccc(C(=O)/C=C/c2cccc(CCl)c2)cc1Cn1cccn1	799891610	HODAQIMYTGYEBR-SOFGYWHQSA-N	366.848	4.575	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccccc1O[C@H](C)C#N	812960172	GRFOKGJXRYLHIA-OAHLLOKOSA-N	352.438	4.558	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(Oc2ccccc2Cl)cc1	817011422	SURIJKGCGZRLJM-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(Cl)c2Cl)c1C(C)C	838348331	LKYOULWZIJNRAY-UHFFFAOYSA-N	368.264	4.713	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]2COC[C@@H]21	839013922	NGFGEIXJWDKSCI-MFKMUULPSA-N	372.359	4.987	50	20	FJGD	
CC(C)CO[C@@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	917630706	DAMHGWNFTFLMTP-IINYFYTJSA-N	369.836	4.906	50	20	FJGD	
O=C(CSCc1cccc(Cl)c1)NNc1ccccc1C(F)(F)F	68773418	ZDVXLDNWBYJWSP-UHFFFAOYSA-N	374.815	4.735	50	20	FJGD	
Cc1nc2ccccc2cc1C(=O)NNc1c(Cl)cc(F)cc1Cl	124286236	AJIYSUSGZHEHLO-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCn2ccnc2C1	183995904	VDDBPPMWJZWQSV-SNVBAGLBSA-N	367.343	4.742	50	20	FJGD	
Cc1ccccc1NNC(=O)c1ccccc1SCc1c(C)noc1C	192732247	CEWQYCZRINSPGK-UHFFFAOYSA-N	367.474	4.649	50	20	FJGD	
C[C@@H](Sc1ccc(F)cc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	210452067	PAHCGMRMAFCQDY-GMVXBXSFSA-N	356.447	4.828	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	733363113	OPUWEGLKMJJSOK-VXGBXAGGSA-N	357.187	4.518	50	20	FJGD	
CC(C)[C@H](NC(=O)NNc1ccccc1)c1cccc(C(F)(F)F)c1	734276567	OTKZLVQNVVWXRR-INIZCTEOSA-N	351.372	4.729	50	20	FJGD	
C[C@H](CC(=O)NNc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1	735695896	KAOWMOSHAKOQOE-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2O1	737444248	PRJAGSBIDRHZID-XNTDXEJSSA-N	352.821	4.599	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1SCCc2sccc21	742520132	UKYIPUWGOTYFPC-LJQANCHMSA-N	366.511	4.948	50	20	FJGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)Nc1ccccc1Oc1ccccc1	748438812	GIDDSZVNNGIRPE-WJDWOHSUSA-N	371.421	4.958	50	20	FJGD	
CC(=O)CCCCOC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	762829295	BJXWGBHFFNFXNF-XSFVSMFZSA-N	370.493	4.820	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2ccco2)nc2ccccc12	771707295	NFFTXKQTGSNKGJ-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2c(Cl)ccc3cccnc23)c2ccccc2n1	781118295	ZISZYWSBJPXLKY-UHFFFAOYSA-N	374.831	4.509	50	20	FJGD	
C[C@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	782985707	TZZGSAOZQIFOJE-VHSXEESVSA-N	365.389	4.763	50	20	FJGD	
C=C(CBr)CN[C@@H](C)c1ccc(-c2ccccc2OC)cc1	791491920	BHADSSOSTPMPNG-HNNXBMFYSA-N	360.295	4.964	50	20	FJGD	
CC(C)O[C@@H](C=NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	792942885	KHTMXAPSRFDNIM-KRWDZBQOSA-N	365.260	4.875	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(SC)cc2)cc1	799067026	NAFWMUXWTHAECM-QLENYVDCSA-N	366.486	4.592	50	20	FJGD	
Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cccc(CCl)c2)S1	799889754	RZEQYGMQCCOVRC-MHWRWJLKSA-N	356.878	4.934	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/C(C)=C/c1ccccc1C(F)(F)F	799893353	TWIAFRQTDFVBDC-FVIOEUFFSA-N	357.397	4.731	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	811490921	WBRVIJXQEMBXBW-CTNGQTDRSA-N	359.897	4.704	50	20	FJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)C(C)C)cc1	915990495	MDHVXSPYQSLQIE-UYRXBGFRSA-N	355.441	4.980	50	20	FJGD	
C[C@@H]1CCC[C@@H](N(C)CCP(=O)(c2ccccc2)c2ccccc2)C1	917100444	OFFNDNPASIXRJP-WOJBJXKFSA-N	355.462	4.511	50	20	FJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1ccc(F)cc1F	1318786878	DVPGCHLCXHWHJS-UHFFFAOYSA-N	366.367	4.736	50	20	FJGD	
COc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1-c1ccccc1	1334937639	VIVYOFCRUPYTJA-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(OC)c(C(=O)O)c2)CC1	1776779155	ZBXZDHAAIQOMGG-PDGQHHTCSA-N	369.461	4.866	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)cc1	50647535	KQTIMTCVRPVWIL-UNOMPAQXSA-N	367.456	4.797	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1OCCCC#N	125446733	UBMFARXXADOJOP-YBEGLDIGSA-N	353.447	4.515	50	20	FJGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)CCCC[C@@H]1CCSS1	152809786	RVVZAUPUMFWHJA-WMLDXEAASA-N	353.553	4.544	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)c1	159070100	KGBOQBJCNVXTHJ-UHFFFAOYSA-N	364.449	4.597	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1-c1ccccc1	181090337	HBNJIZAROVKEAX-UHFFFAOYSA-N	369.424	4.667	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C2SCCCS2)cc1	184315849	HBSXOLCLCARNFZ-UHFFFAOYSA-N	362.495	4.760	50	20	FJGD	
C=C(C)CN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	187667840	KCEYCPLUMIBJDM-UHFFFAOYSA-N	351.362	4.541	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1	255573263	JNFULINYJPETSS-AQTBWJFISA-N	355.397	4.573	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)c1cnc2ccccc2n1	588580815	QRDLVOFLDLHCMU-AQTBWJFISA-N	364.408	4.668	50	20	FJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C	728286932	LMODWIOCCNUCLS-ZROIWOOFSA-N	362.260	4.977	50	20	FJGD	
O=C(NNc1ccccc1)c1cccc(OCc2cccc(Cl)c2)c1	732266007	YVAYMDKCIWJIBX-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F)C1CCCCC1	733207498	ZFBRTZQMISJSPT-LCYFTJDESA-N	354.347	4.543	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(F)c2C)c1C	744811527	YMJJNPDLGNZOPD-PDGQHHTCSA-N	353.441	4.898	50	20	FJGD	
Cn1c(C(=O)NNc2ccc(Cl)cc2)cc2cc(C(F)(F)F)ccc21	749274623	VUIQGIYBWKGWQX-UHFFFAOYSA-N	367.758	4.607	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2Cl)c1C	761391257	HOHDRZJBVITFHG-DHDCSXOGSA-N	367.811	4.745	50	20	FJGD	
COC1CCC(=NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1	783811396	SSKIPIDWYJRDKY-IURRXHLWSA-N	362.539	4.574	50	20	FJGD	
CCCn1c(C)c(C(=O)NNc2cc(C)cc(C)c2)c2cc(OC)ccc21	790089440	DMVSZAXEKOLANL-UHFFFAOYSA-N	365.477	4.742	50	20	FJGD	
COc1cc(NNC(=O)c2cc3c(ccc4ccccc43)[nH]2)ccc1Cl	790188259	YTBDVKQBDMIQCP-UHFFFAOYSA-N	365.820	4.740	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccccc1OCC1CC1	791714446	UXCQUDJOZZTIIQ-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)Nc1cc(Cl)ccc1Cl	794932182	UMWKJWJGNZSOCH-VMPITWQZSA-N	369.154	4.523	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ncc(Cl)cc3Cl)csc2c1	795272319	HHTKMJILHDUUMR-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCC12OCCO2	807251506	VLRJLYZCVKBLEY-LBPRGKRZSA-N	373.343	4.826	50	20	FJGD	
Fc1cc(NCc2ccc(OCCCCl)cc2)ccc1-n1ccnc1	811470150	SWCKKIGEBQSIOA-UHFFFAOYSA-N	359.832	4.631	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)cc1OC	814755453	QOHHRDDJEYUAPZ-KRWDZBQOSA-N	366.461	4.538	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@]1(C)CO	822611690	BCRDEBAMFQSTHN-IINYFYTJSA-N	374.375	4.826	50	20	FJGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1ccccc1Cc1ccccc1	846463861	HZFHCUKTCLONEO-HNNXBMFYSA-N	363.461	4.519	50	20	FJGD	
O=C(NN=Cc1cccs1)c1ccc(COc2ccc(Cl)cc2)cc1	916307004	MPBLYVXIZPLGPY-UHFFFAOYSA-N	370.861	4.744	50	20	FJGD	
Cc1occc1CN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	919864874	BJMCXSUPOSLUOH-CIAFOILYSA-N	367.493	4.618	50	20	FJGD	
N#C/C(=C\c1ccc(/C=C/C(=O)O)o1)c1nc2cc(Cl)ccc2s1	1777566167	SLECMYRRILPODK-AGLLBGTNSA-N	356.790	4.705	50	20	FJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F	6950764	KZJKDYYPMJVALY-KAMYIIQDSA-N	360.335	4.650	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1OC(C)C	7163661	RRMGJKBERCFIPS-LDADJPATSA-N	364.445	4.645	50	20	FJGD	
O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(CCCl)cc1	36900576	QSSKJLHTTQFPRJ-UHFFFAOYSA-N	364.681	4.576	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1	125458686	PECRZOVLNDMFLY-UHFFFAOYSA-N	374.444	4.704	50	20	FJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)Nc1ccccc1Br	160225801	JLIFGRPCDIHJNJ-FMIVXFBMSA-N	367.202	4.741	50	20	FJGD	
Cc1sc2nc(CSCCCCl)[nH]c(=O)c2c1-c1ccccc1	180968550	YHVKJQIZXBCDHK-UHFFFAOYSA-N	364.923	4.822	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCOC[C@H]1C1CC1	192255733	RUAJHRWFVHCUKW-ZDUSSCGKSA-N	372.359	4.987	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3nccn3CC(F)(F)F)n2)cc1	728699211	CRHIREPTDCQYQB-RIYZIHGNSA-N	374.391	4.942	50	20	FJGD	
CC[C@@H](C(=O)NNC(=O)c1cc2c(Cl)cccc2s1)c1ccccc1	731999479	VCPZVLCQVDRSGZ-CYBMUJFWSA-N	372.877	4.510	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)o1	734306713	QQBXPVCPZOSFPQ-NBVRZTHBSA-N	374.415	4.660	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1OC(F)F	735617244	WSOFQUBQCQJCLG-LCYFTJDESA-N	355.344	4.546	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(O[C@@H]2CCOC2)cc1	739787864	KANULXMPFYVOFT-IAGOWNOFSA-N	367.536	4.507	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1Br	746395070	VDTXKCBWBZFYMG-YBEGLDIGSA-N	369.262	4.920	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2C)c1C	751448863	WXGJDEQUPVBCPE-WOJGMQOQSA-N	366.461	4.630	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(/C#N)C(=O)Nc1ccccc1	755032380	NAOBISUSUJONGH-LCYFTJDESA-N	373.275	4.717	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)C(=O)CC(C)C)c1	759643522	NAYYKADIYMBQFA-GZTJUZNOSA-N	365.477	4.836	50	20	FJGD	
Cc1cc2cc(C(=O)NNc3ccc(OC(F)(F)F)cc3)oc2cc1C	761590359	LNICXXJQZFWGFN-UHFFFAOYSA-N	364.323	4.705	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1C#N	766287669	GVNQZMFKWGAXMQ-ZSOIEALJSA-N	356.212	4.719	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C#N)cc3F)n2)cc1	772795508	ALMFKGZLRSHGHL-SXGWCWSVSA-N	361.401	4.894	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1	774563147	XGEZSLGLNRUULF-ATVHPVEESA-N	351.406	4.514	50	20	FJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787410471	JZEMSNNNQSVDDA-LDADJPATSA-N	364.445	4.561	50	20	FJGD	
Cc1cc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1-c1ccccc1	787537906	GUEDEBOACUIKCI-KGENOOAVSA-N	368.436	4.591	50	20	FJGD	
COc1cc(NNC(=O)Nc2cccc(CC(F)(F)F)c2)ccc1Cl	788619235	NSTQQDOJUUDHTM-UHFFFAOYSA-N	373.762	4.602	50	20	FJGD	
CCSCc1cccc(NC(=O)NNc2ccc(Cl)c(OC)c2)c1	788620116	NLQPEZSUIWGMBP-UHFFFAOYSA-N	365.886	4.750	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(Br)cs1	791734105	QAOWLMYQKMQMAQ-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
CCOc1ccc(NNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)cc1	817889427	FKZIJWHIEIWRBC-ZDUSSCGKSA-N	366.383	4.741	50	20	FJGD	
C[C@]1(CCNC(=O)CCCC[C@@H]2CCSS2)CC1(Cl)Cl	836914691	JEZWHEAMOIQZFZ-YPMHNXCESA-N	356.384	4.791	50	20	FJGD	
Cc1ccc(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1F	856230542	UHCISLNGZDJUDS-NLKGSNSHSA-N	370.390	4.726	50	20	FJGD	
CC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1OC	915078211	FDZZRQQWMGOWGL-GDBMZVCRSA-N	353.553	4.977	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1OC	916131589	KJRXIPKFYXQMQO-ATVHPVEESA-N	361.401	4.598	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)cc1	918864223	MWPJPPUJQNIBLP-ZENNRRHLSA-N	359.784	4.699	50	20	FJGD	
COc1cc(F)cc(NNC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)c1	1319386700	JGOOSTHUWWBRCK-UHFFFAOYSA-N	371.239	4.562	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNCc2cc(C(=O)O)co2)c1	1776269046	BBDQCKIXZYDXQV-UHFFFAOYSA-N	361.514	4.652	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3c[nH]c4cc(F)ccc34)oc12	98008692	SHSPABNXTLTNER-JYRVWZFOSA-N	360.344	4.852	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1	126674939	BCHHQNCUNWIVOE-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccccc1Oc1cccnc1	132866293	POXQXHXQKBLSBZ-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)s1	177891943	KCCQWEPMHBBTPE-VQHVLOKHSA-N	353.230	4.609	50	20	FJGD	
CC(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193622231	AFDPMPGVZUBKNC-JTQLQIEISA-N	374.375	4.833	50	20	FJGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H](C)c1cc2ccccc2o1	588515608	BXHIXPRWAGSAPO-GYZOOYGHSA-N	360.413	4.655	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)C(=O)c1cccc(F)c1	588597437	OZPDBVVUCXCBMG-ZROIWOOFSA-N	352.365	4.878	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cccc(OCCCC#N)c3)n2)cc1	726743704	OBMBKTBPJPOLKF-UYRXBGFRSA-N	370.412	4.792	50	20	FJGD	
CN(C)C(=O)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1	745605562	TZFWLIMJNCYTCU-UHFFFAOYSA-N	358.445	4.762	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)c(C)c2)c(C)c1	746393369	KJOIDDGTSSUAAZ-MHWRWJLKSA-N	369.262	4.920	50	20	FJGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1ccc(C(F)(F)F)cc1	747600907	XFBVYEDLFGJBTQ-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC	749450623	AWMXAALGGAZMIJ-MPMPPSQCSA-N	353.393	4.801	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2ccccc2)no1	755407908	SLYBUMNKMSRAQO-JYRVWZFOSA-N	359.282	4.959	50	20	FJGD	
Cc1sc(C(=O)NNc2ccc(F)cc2F)cc1-c1ccc(F)cc1	755784936	IVWZZBDKVCYANW-UHFFFAOYSA-N	362.376	4.898	50	20	FJGD	
N#C/C(=C/c1cscc1Cl)C(=O)Nc1ccccc1C(F)(F)F	771842312	RBADIJYEYODQCQ-UITAMQMPSA-N	356.756	4.966	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1csc(-c2ccsc2)n1	785374562	DOKLGMDNGACKQS-OVCLIPMQSA-N	352.440	4.522	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cc2ccccc2o1)c1ccc(C(F)(F)F)cc1	789022549	FDMCGGYRKULNKJ-LBPRGKRZSA-N	360.335	4.971	50	20	FJGD	
CCCOc1cc(OC)ccc1C(=O)NNc1ccc(Cl)cc1Cl	789821119	OZWFUOAYYBFJCT-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H](O)c1ccccc1	790399903	HUSMWHOHKDPOPZ-NEWSRXKRSA-N	367.580	4.575	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)s1	790603637	NHWKUELHBNHHHY-WDZFZDKYSA-N	353.422	4.851	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	794873306	CZIDHFNVWILRLQ-YRNVUSSQSA-N	372.209	4.963	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2cccs2)C2CC2)c1C	810177850	JVXKGZTZWBRGQW-YWFITGJYSA-N	367.518	4.751	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(-c2cccc(F)c2)no1	812766071	GJTDFMBVFRSLBF-UHFFFAOYSA-N	353.397	4.669	50	20	FJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(C(C)(C)C)cc2)s1	837525662	UZTGAUGUIMEKSZ-UHFFFAOYSA-N	367.312	4.873	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1OCC	857494090	QPQWOVNSOOJHHB-UHFFFAOYSA-N	356.466	4.638	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)C2CC2)c(C)n1C1CCCCC1	875158675	YUOWFCQRQHWZFK-FPXKJXHESA-N	353.510	4.774	50	20	FJGD	
O=C(NN=Cc1ccco1)c1ccc(CSc2ccc(Cl)cc2)cc1	916581452	FKZXOQHKIXOSER-UHFFFAOYSA-N	370.861	4.989	50	20	FJGD	
C[C@H]1CCC(=O)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	930764233	CWSRSNLGAPTSIO-VIFPVBQESA-N	358.332	4.929	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)c(Br)c1	1340934715	YWRHFPFACUBQLE-ZROIWOOFSA-N	356.219	4.556	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CC[C@H](C#N)C2)c(C)n1C1CCCCC1	1516748570	FDTAHEAZTVYLRH-NEQOWUHGSA-N	365.477	4.753	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cc(F)c(C(=O)O)c(F)c2)cc1	1776271614	GZFCQOCKCFRBCN-ZSOIEALJSA-N	369.367	4.750	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OC(=O)c1ccccc1F	7155259	WELDWVIBUAZECJ-FOWTUZBSSA-N	374.371	4.513	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)c(C)c1	155155204	BKCACODVKITJKY-CXUHLZMHSA-N	351.475	4.882	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1	158798730	LSJWOZFFRNLVFA-UHFFFAOYSA-N	357.413	4.724	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc(Cl)c1OC	170933539	YZHYUPQJFGUFLR-NTUHNPAUSA-N	361.850	4.907	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)s1	177897833	RYZGHUNXQQWNLK-KPKJPENVSA-N	368.380	4.527	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)o1	734306712	QQBXPVCPZOSFPQ-JXAWBTAJSA-N	374.415	4.660	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1	748126413	OUFLCSYSJREWDR-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2Cl)c1C	761390873	GLMIVTSHIKHRCA-RIYZIHGNSA-N	353.784	4.513	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1	777872389	SNAXSYSBVHILPK-ATVHPVEESA-N	351.377	4.571	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(F)cccc1Br	794873960	DGLKTPNXDVRJHO-YFHOEESVSA-N	350.212	4.748	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1C(=O)c1ccccc1	799757810	KXLUHBODEBTCNH-UHFFFAOYSA-N	358.441	4.545	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)C(=O)c1cccc(F)c1	799893691	VNNMASOHJLCPHH-JXMROGBWSA-N	366.136	4.656	50	20	FJGD	
CCC(CC)[C@@H]1C[C@@H](NCc2ccc(OCCCCl)cc2)CCO1	811486631	GVLMJVNDMUNSCE-ICSRJNTNSA-N	353.934	4.768	50	20	FJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC(Cl)Cl)cc2)cc1	816628859	NCDSNATXYRMTNJ-UHFFFAOYSA-N	366.244	4.557	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)c(Br)c1	843263722	DRHGIUDOYJPYEI-WUXMJOGZSA-N	361.264	4.856	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(O[C@H]3CCOC3)cc2)s1	849178822	HTROHUOERVOXFK-OBHPCNEJSA-N	354.475	4.672	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)c1C	1252197004	CBNVQXNYXLWSOH-NUMRFLCSSA-N	373.566	4.555	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Cn2cccc2)cc1	1319268924	CQUZBEZBBWCSMN-UHFFFAOYSA-N	360.244	4.600	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccc(-c2ccccc2)cc1	1776044734	XAMAJHKOLOKHQM-UHFFFAOYSA-N	373.412	4.598	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C	11293246	AILOVOLIFOYJKA-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccccc21	21674826	VLKDRYZFDOEGLX-WYMLVPIESA-N	370.368	4.806	50	20	FJGD	
CN1CCc2cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)ccc21	178887946	NZXJPEBQHSSDKV-GXDHUFHOSA-N	372.255	4.531	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H](C)O1	181783033	OEDSCVSDJMEGCM-AOOOYVTPSA-N	360.348	4.985	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)c(F)c1	190244984	FCNSHHISKKMKOP-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccccc3)o2)cc1	209630716	XGTIAGCTRUIAPO-AQTBWJFISA-N	357.365	4.523	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255887683	ZDOKKESCQQJUFN-BKUYFWCQSA-N	353.425	4.911	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c2c(c1)C[C@H](C)O2	730149393	WITPQQAMZQANCK-RZBIUYHXSA-N	366.417	4.832	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1Cl	741468800	LOVCOZKFKZVJAY-NTEUORMPSA-N	350.805	4.928	50	20	FJGD	
CSCCCOC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	744551716	HNPDSMNCDGNEGJ-AQTBWJFISA-N	360.523	4.813	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(Cl)c1Cl	748748821	TXCDBNZLDYGEFI-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)cc1	749192908	DQIBSJUZMGJEMA-UHFFFAOYSA-N	354.356	4.822	50	20	FJGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)c(Br)c1	755181477	UPACBYRCJTTWOG-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
COC1CCC(CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)CC1	758037740	IQRHLDVDULVZNZ-UHFFFAOYSA-N	365.688	4.685	50	20	FJGD	
N#CC1=CCN(C(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1	760010184	WOKLZSSCASTXMQ-UHFFFAOYSA-N	372.852	4.926	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(F)ccc3Br)[nH]c12	761177019	QYWDXGAYXBWKAE-GHXNOFRVSA-N	356.198	4.837	50	20	FJGD	
C[C@](O)(CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	762966704	UGTAOECXYGKDRX-ZDUSSCGKSA-N	360.348	4.627	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(CC(F)(F)F)cc1	770038496	KLKPAANJCMIDAZ-UHFFFAOYSA-N	366.368	4.550	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(-c2ncco2)cc1	775695472	OBZFKFCOAIMTCZ-UHFFFAOYSA-N	363.204	4.797	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C)c(OC(F)F)c(C)c1	777478351	WVSBPSOWKWCDMD-UHFFFAOYSA-N	371.387	4.518	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1	777871158	IWBQKXIGRXDHBY-AQTBWJFISA-N	373.412	4.756	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(F)(F)F)C(C)C)c1C	782946016	OEQGQYSGMBDFKB-JDZKTDJGSA-N	369.431	4.515	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(c2cccc(Cl)c2)CCCC1	787447132	QRTXOIOITWTKDW-FOWTUZBSSA-N	366.848	4.538	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1	788100268	WXHVWEYGNSWQKI-XYOKQWHBSA-N	369.833	4.911	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1c(Cl)cccc1Cl	794935703	AFPDOYIOGZGDDX-VURMDHGXSA-N	354.139	4.767	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	798345556	XDVBNRFCOMRQTF-QCDXTXTGSA-N	363.248	4.625	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1	837057257	CCBWVURSXYITIG-UHFFFAOYSA-N	369.465	4.914	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1C[C@H]1c1ccc(F)cc1F	863391163	HKIPSXZCEZSOAN-IVMMDQJWSA-N	357.491	4.651	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H]2CCSc3c(F)cccc32)c(C)c1	916557598	VZYDBZHPSHAEQJ-INIZCTEOSA-N	359.470	4.614	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1cc(-c2ccccc2)ccc1Cl	114886834	SGVRVZVGXBGWEG-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1	171149068	OIQFVYDHNZLFCB-LDADJPATSA-N	372.453	4.952	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@@H]2CCSS2)[C@H]1c1cccnc1	292281834	HRGXQBRJBALHLH-WBVHZDCISA-N	350.553	4.705	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)CCCC2	725900049	MXIBZNJRUMHZOX-UHFFFAOYSA-N	351.837	4.524	50	20	FJGD	
O=C(NNc1ccc(Br)cc1C(F)(F)F)Nc1ccccc1	731487675	UYQGLGUATJVJQM-UHFFFAOYSA-N	374.160	4.617	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C[C@@H]1CCc2ccccc21	755567382	WHBMALBEULOTJU-KRWDZBQOSA-N	361.470	4.564	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2nc(C(C)C)n3ccccc23)c(C)c1	755627533	VBZIVRDMJOYANK-ATVHPVEESA-N	358.445	4.620	50	20	FJGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)s1	758417994	LWGCNTUZXSTKAV-IZZDOVSWSA-N	360.508	4.566	50	20	FJGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@@H]1C	767362494	SYBKOWSQDYVFRQ-HOTGVXAUSA-N	372.472	4.839	50	20	FJGD	
O=C(CCCc1cccc(C(F)(F)F)c1)NNc1ccc2ccccc2n1	771446631	GNAICRCCIWJFBM-UHFFFAOYSA-N	373.378	4.720	50	20	FJGD	
N#C/C(=C/c1occc1Br)C(=O)c1cccc(C(F)(F)F)c1	780526429	DIBHLTGAZJWYIP-YFHOEESVSA-N	370.124	4.851	50	20	FJGD	
N#CC1=CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CC1	780688625	NRVJVQUQRFUMSG-IBGZPJMESA-N	368.889	4.856	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)c1ccc(Br)s1	782324747	GGQHBEMYLISVEP-WEVVVXLNSA-N	365.277	4.634	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(F)(F)F)C(C)C)c1C	782946022	OEQGQYSGMBDFKB-STKCSNAVSA-N	369.431	4.515	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1OC(F)(F)F)C(=O)c1ccccc1F	789129873	YLZXOTBJSJMXOS-NTMALXAHSA-N	353.246	4.653	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1coc2ccc(C(C)C)cc12	805380497	CCIRXFPTJDXPIA-UHFFFAOYSA-N	353.378	4.530	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1	817905009	WGPGGNOEBHEHCN-NSHDSACASA-N	353.249	4.639	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)cc2)c1C	875538861	WLUPQNCBXCXLQN-XMHGGMMESA-N	364.493	4.517	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c1Cl	915844872	XOGWZQJUHZEMME-VBKFSLOCSA-N	370.884	4.753	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)c2ccccc2n1	915922580	VRNIJSGHIIBOJF-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2OCC)c1C	916473778	OEIQKUJQDHKREX-BOPFTXTBSA-N	369.440	4.598	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1sccc1-c1ccccc1	917215082	XUMSRDBQPQPNKM-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccccc1	1776118500	QVEHAOITTKFLMG-ZHZULCJRSA-N	368.392	4.597	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(CSC(F)F)o2)c(C)c1	7160206	RSBQJKWPVSRBHQ-MDWZMJQESA-N	362.401	4.898	50	20	FJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2cccc(Cl)c2)on1	52735955	HWJKEBSXXBRLNP-UHFFFAOYSA-N	373.865	4.686	50	20	FJGD	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(C#N)cc2)cs1	63279013	RFFKZZIUZLNEGP-LZYBPNLTSA-N	358.382	4.654	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCCc1c[nH]c2ccccc12	107606497	OPDKXQOFZYKTEJ-INIZCTEOSA-N	362.564	4.931	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2ccccc2Cl)cc1OC	120751706	NWSZSVMBIOZUEC-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
C#CCN1CCC(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	191946523	UCYZWIFAORSKBD-UHFFFAOYSA-N	368.371	4.628	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)ccc1OC	255139690	KDUFMAUCRYNCAC-ZSOIEALJSA-N	373.811	4.814	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)c1ccc(Cl)cc1F	255905070	GVFQNEUEULQSMR-RAXLEYEMSA-N	358.800	4.852	50	20	FJGD	
CCc1ccc(OCC(=O)Nc2c(CC)cc(SC#N)cc2CC)cc1	301580645	KMJQCXYFKGDKGV-UHFFFAOYSA-N	368.502	4.964	50	20	FJGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	727776762	FKWZIWZOPMABEF-CYBMUJFWSA-N	366.490	4.713	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)c1	734729062	LIVYCZKEQVAXEG-BVTUPMQUSA-N	373.355	4.508	50	20	FJGD	
C/C(=C\C(=O)NNc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1	735700191	FRHFOTCVOLPOME-MDZDMXLPSA-N	356.294	4.530	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1	736116388	REKBDIHMAVUEDZ-BOPFTXTBSA-N	374.444	4.562	50	20	FJGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746896621	NFQYORMPFRRTDA-ZDUSSCGKSA-N	361.367	4.522	50	20	FJGD	
O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NNc1ccccc1F	748055739	FAVZYDBXRDXLHB-YVMONPNESA-N	358.722	4.654	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1	748725913	RWCNZIQIUSUTRY-UHFFFAOYSA-N	365.842	4.506	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1SCCc2ccccc21	749483454	VTKFRJHPSMALEX-DOTOQJQBSA-N	367.605	4.847	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	752101820	IPRDKPAJJBDNMA-PTNGSMBKSA-N	369.827	4.625	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)cc(C)c2Br)c(C)c1	764263336	DDJLHPDONYNKGZ-UHFFFAOYSA-N	361.283	4.748	50	20	FJGD	
C[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)c2c(O)cccc21	768663536	HWINEFYSYZLMSQ-KBPBESRZSA-N	351.537	4.947	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc(F)c(Cl)c1	773161317	PPSCPJGVFXDKNL-KPKJPENVSA-N	369.758	4.798	50	20	FJGD	
CC(C)Oc1c(Cl)cccc1NC(=O)NNc1c(F)cccc1F	775633437	VLLXEOQHFIFCKJ-UHFFFAOYSA-N	355.772	4.554	50	20	FJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2cccc(Cl)c2)s1	775777976	VTJFPCFHWJCLJQ-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)C(=O)C1CCCC1	781555750	OVFGLMJKBCFGPQ-HMMYKYKNSA-N	359.473	4.891	50	20	FJGD	
CCCN(Cc1c(F)cccc1Cl)C(=O)/C(C#N)=C\c1ccc(O)cc1	786891259	DOCAPEDLEIMRQV-PTNGSMBKSA-N	372.827	4.530	50	20	FJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)c1ccc2ncccc2c1	794883759	DETJUGRNWCRZHS-QPEQYQDCSA-N	369.243	4.849	50	20	FJGD	
CC(C)(CCC#N)CNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	807593002	LIAIKXFXJMFTTA-UHFFFAOYSA-N	363.676	4.603	50	20	FJGD	
Cc1cc(O)nc2cc(C(=O)NN(c3ccccc3)c3ccccc3)ccc12	807922499	SCUNKOGYWRBLEA-UHFFFAOYSA-N	369.424	4.732	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(Br)c1F	812766084	HHKQQSLMSOEENO-UHFFFAOYSA-N	365.246	4.777	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)c(C(F)(F)F)c1	814486456	NUYJAKIPPMHSBJ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2csc([N+](=O)[O-])c2)cc1	917146130	YJVPVWZWCPBIOE-AZZDOICSSA-N	355.419	4.715	50	20	FJGD	
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(CCl)c2)c1	1336349381	SBMGGIYHJRPUAM-DEOSSOPVSA-N	363.910	4.725	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC#N)cc3)n2)cc1	63454563	WOXCZSJZGQQGNT-ATVHPVEESA-N	373.437	4.785	50	20	FJGD	
CN(CCOc1ccc(Cl)cc1)C(=O)CCCC[C@H]1CCSS1	105006656	FGCMHFVWFLYUEF-INIZCTEOSA-N	373.971	4.891	50	20	FJGD	
Cc1cccc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)c1	105448439	RRHRGUQKOXUXRL-XEMYWUMJSA-N	352.484	4.998	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(-c2ccccc2)ns1	108828153	OKSAHYBSRPFPNT-ZDUSSCGKSA-N	365.549	4.858	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccc(Cl)s1	170893567	YGMLESVNFPSLKN-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1F	178764765	BVHDGWOGSYEVEV-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
O=C(NCCC1(O)CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	285168887	MDUAGYPMJAUYAJ-UHFFFAOYSA-N	360.348	4.771	50	20	FJGD	
CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(CCCCl)cc1	322084653	VIVLYSJEBQHPIM-UHFFFAOYSA-N	371.955	4.519	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1ccccc1OC(F)F	588384749	WJNOSVLRMXHQCG-XFXZXTDPSA-N	365.282	4.679	50	20	FJGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccc(Br)s1	727257348	ZRPNPZVUHRWVCW-LLVKDONJSA-N	357.317	4.833	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	728785702	KFVQWLITBTXADM-YBEGLDIGSA-N	352.397	4.656	50	20	FJGD	
Cc1ccc(NCC(=O)NN=Cc2cccc(-c3ccccc3C)c2)cc1	729632590	DANQQYSJEONTFR-UHFFFAOYSA-N	357.457	4.533	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(OC(F)F)c2)cc1	734142291	SCSQIJDFPOLIFJ-XNTDXEJSSA-N	372.371	4.541	50	20	FJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1c(F)cccc1F	735692952	UEAVMIBPMUFAIQ-UHFFFAOYSA-N	359.203	4.738	50	20	FJGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C12CCC2	741163528	MBTNHXRTFHGFBG-GOSISDBHSA-N	372.465	4.619	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(SCc3ccccc3)cc2)cc1	746885680	BOXQKSCSZVZIIE-UHFFFAOYSA-N	364.470	4.744	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1	748674613	WOQIQCDIRPXSCR-UHFFFAOYSA-N	369.446	4.854	50	20	FJGD	
COc1ccc(C[C@H](C)CNC(=O)CCCC[C@H]2CCSS2)cc1	759870470	UKTMXDABJIEIIM-YJBOKZPZSA-N	367.580	4.704	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1Cl	772179883	SMHVNXQFWBSCFE-XGICHPGQSA-N	350.176	4.931	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)s1	773143224	BKUXZXZPBBWECC-POHAHGRESA-N	355.312	4.704	50	20	FJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)NCc1ccc(F)c(F)c1	786054581	WRFXQRWGIXEDIR-WQLSENKSSA-N	372.758	4.588	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(C(C)C)c(Cl)c2)ccc1Cl	790180183	HTTCBNYWWNPDLS-UHFFFAOYSA-N	353.249	4.882	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ncc(C(C)(C)C)s3)nc(O)c2c1C	790601439	LWKLQOXZAZJUKQ-IZZDOVSWSA-N	370.503	4.832	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cscc1Br	794686416	AXMGOSYSMHAAEO-WUXMJOGZSA-N	361.264	4.673	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(-c4cnn(C)c4)s3)n2)cc1	800791589	RBRHFHUHTLCKCO-DHDCSXOGSA-N	373.441	4.571	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@H]1O	806422205	OKVCZIJVDJNHHF-JOYOIKCWSA-N	360.348	4.579	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	806566627	MDCPHFOOEARYSG-MLPAPPSSSA-N	364.836	4.699	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Br)cc1F	812768945	NWVVRFBNFORVQP-UHFFFAOYSA-N	365.246	4.777	50	20	FJGD	
CC(C)c1cccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1	830809952	AQHZSWSODJMUSG-UHFFFAOYSA-N	352.356	4.508	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1CO	856853532	BACJWTHRHAIJRL-WDEREUQCSA-N	374.375	4.826	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)c(C)c1	921259468	UMXRZAUDMDVFTO-MHWRWJLKSA-N	374.362	4.790	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccc(OCCCC#N)c3)c[nH]c2c1	102598803	WVCWQIBVULLUGF-PDGQHHTCSA-N	369.424	4.949	50	20	FJGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)C(=O)c1ccc(Cl)cc1F	179615963	RJHRIARTHYYVHD-YHYXMXQVSA-N	360.175	4.570	50	20	FJGD	
O=C1CC[C@H]2CN(C(=O)CCCC[C@H]3CCSS3)c3cccc1c32	183830478	GBEJHDANJZSUFY-KBPBESRZSA-N	361.532	4.807	50	20	FJGD	
Cc1ccc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	206923882	WLAPVRODXGRAQU-YSYRGXBVSA-N	352.484	4.998	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1OC	588597515	STAYNQDIPMKCLJ-MFOYZWKCSA-N	351.377	4.579	50	20	FJGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNc1ccc(Cl)cc1Cl	725852628	BSVRZLIRCPGTMS-UHFFFAOYSA-N	366.252	4.570	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(C#N)c2)cc1	741853353	XKLKZVWCSLFXPE-IYSPOMMRSA-N	359.429	4.626	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	743298169	SEPCDEIDDKABPX-LJQANCHMSA-N	353.853	4.771	50	20	FJGD	
O=C(NNc1ccccc1F)c1cc(-c2cccs2)nc2ccccc12	748056584	LBBZSFRKYKYPLA-UHFFFAOYSA-N	363.417	4.859	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1	748362437	KUANQAQHSUGEJV-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@H]1CCC[C@@H](C)C1	748672423	GMVMQRBSAUUWAT-PBHICJAKSA-N	360.523	4.918	50	20	FJGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1	748701669	TUXZDKKYFTTZAA-ZDUSSCGKSA-N	366.383	4.898	50	20	FJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccc(Cl)cc1	749276563	WJCWJBIJOHOFHO-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
CCC(CC)(C(=O)N1CC=C(C#N)CC1)c1ccc(Cl)c(Cl)c1	760002833	DCIJBKPIODGBJG-UHFFFAOYSA-N	351.277	4.733	50	20	FJGD	
C[C@H](NC(=O)NNc1ccccc1)[C@H](C)c1ccccc1C(F)(F)F	766834181	LFUCHONHWNSQRV-STQMWFEESA-N	351.372	4.524	50	20	FJGD	
CCCCCOc1cc(/C=C(\C#N)c2cc(SC)ncn2)ccc1OC	773175536	FPPJRBXKLJYISV-MHWRWJLKSA-N	369.490	4.840	50	20	FJGD	
CCC[C@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779209178	IWKJKBLHWMYZMK-AWEZNQCLSA-N	352.356	4.612	50	20	FJGD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CCCC[C@H]1CCSS1	787493748	BQGGYBSHIUYFST-NWDGAFQWSA-N	355.491	4.890	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)c1ccc2ncccc2c1	794965554	VTFBLJRESGRDEC-NTEUORMPSA-N	354.196	4.726	50	20	FJGD	
CCOc1c(OC)cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1OC	797398839	LNYFDVOOSDCYJZ-ZSOIEALJSA-N	372.490	4.921	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2)ccc1OCc1ccccc1	798229699	GNTQKWOLKYVMNJ-ODLFYWEKSA-N	359.381	4.657	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c(C)c1OC	806554010	HCQPNERMOIRDJG-RIYZIHGNSA-N	359.784	4.595	50	20	FJGD	
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836498318	NLRSYCFIOUBCLH-NEPJUHHUSA-N	358.332	4.809	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(C)s2)c1C	919701923	VXHCJZLLQIXORU-CLXYIWAZSA-N	355.507	4.669	50	20	FJGD	
CC(C)[C@H](C#N)C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	1116352140	QQWNUAGFUYWICY-MRXNPFEDSA-N	374.419	4.552	50	20	FJGD	
O=C(NNc1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	1323516234	VTQHLLMUFDSCHV-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
Cn1ccnc1-c1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	115717916	LUJUIDNOYGTZKN-INIZCTEOSA-N	361.536	4.740	50	20	FJGD	
COc1cccc(C2(NC(=O)CCCC[C@@H]3CCSS3)CC2)c1	122656875	HJRNHIOTOIQMJG-MRXNPFEDSA-N	351.537	4.515	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)Nc1ccccc1Cl	128699242	UVJBAAQUARQYER-UKTHLTGXSA-N	357.866	5.000	50	20	FJGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1c(Cl)cccc1Cl	161029411	VOKFZRUKQFEYSS-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC	255216536	NGZYXWBONORQFA-YVLHZVERSA-N	352.390	4.513	50	20	FJGD	
N#C/C(=C/c1csc(COc2ccccc2)n1)C(=O)c1ccsc1	255868466	ZXBNGFGFQCJIEG-ZSOIEALJSA-N	352.440	4.573	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)c2cccs2)c1C	733943338	NTVTWRINFYUYSD-PDGQHHTCSA-N	369.534	4.577	50	20	FJGD	
Cc1cccc(O[C@@H](C)CNC(=O)CCCC[C@@H]2CCSS2)c1	742118505	KIDYAAWBOVXMKC-DOTOQJQBSA-N	353.553	4.593	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@H]1CCCO1	743056459	HFWANYPWMWYQFJ-BAPRJRNISA-N	361.869	4.810	50	20	FJGD	
CN(Cc1ccc(Br)s1)/C(=C/C#N)c1ccc(F)cc1	750600468	XXRQXUUMHIHJJB-RIYZIHGNSA-N	351.244	4.646	50	20	FJGD	
Cc1ccc(SCC(=O)NN=CC2CCC(C(F)(F)F)CC2)cc1	767365876	COOWFXVQOWXIMN-UHFFFAOYSA-N	358.429	4.558	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1OCC(C)C	772179915	SWTTUJBEHJAIET-OMCISZLKSA-N	371.383	4.798	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1C[C@H]1c1ccc2ccccc2c1	777465329	KPRCOKYGTUWAHL-PMACEKPBSA-N	353.425	4.635	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1cccc(C(F)(F)F)c1	782303364	XGWLUTZTWGVRLA-IZZDOVSWSA-N	363.364	4.585	50	20	FJGD	
Cn1ncc(Cl)c1CNc1ccccc1S[C@H](Cl)C(F)(F)F	783581679	ARZKLIWBQHNTIB-LBPRGKRZSA-N	370.227	4.905	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2)oc1C	785373468	ZYRBFTNLDOVVFP-GZTJUZNOSA-N	361.376	4.643	50	20	FJGD	
CSc1ccc2cc(COC(=O)/C(C#N)=C/C3CC3)c(Cl)nc2c1	786676347	QLGFEEHTQZWGBC-AWNIVKPZSA-N	358.850	4.513	50	20	FJGD	
CSSCCNC(=O)N(Cc1cccs1)Cc1cccs1	790879076	PARQKMQRYCNBMN-UHFFFAOYSA-N	358.579	4.533	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)c1ccc2ncccc2c1	794884539	JETOVPXMGZTMBV-ATVHPVEESA-N	353.356	4.712	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2csc3ccccc23)cc1	795356052	ABVFOARSDSQZCS-MHWRWJLKSA-N	361.422	4.543	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(F)c2Br)cc1	816018752	ODECSULZDPSJFS-UHFFFAOYSA-N	365.246	4.643	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2cccc(Cl)n2)c1	817005509	WQZVZFGUQAPQRB-UHFFFAOYSA-N	361.898	4.835	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)F)c1C	824090906	RVOPBCKRQOVLMB-LFIBNONCSA-N	357.404	4.998	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2c(F)ccc(SCC3CC3)c2F)c1	824227328	XASIZTVKHLCJIV-UHFFFAOYSA-N	362.445	4.841	50	20	FJGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1nc2ccccc2s1	839426196	UJAZHVUYRSQSSY-UHFFFAOYSA-N	359.454	4.532	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc(Cc2cccs2)o1	840193624	DSJUTEMMRYCZOJ-UHFFFAOYSA-N	356.589	4.836	50	20	FJGD	
N[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189993	KYUWMLNHKVZHJK-NXEZZACHSA-N	359.364	4.735	50	20	FJGD	
C[C@@H]1c2ccc(Cl)n2CCN1C(=O)CCCC[C@@H]1CCSS1	848090832	KQRKYQPSOSHGSC-CHWSQXEVSA-N	358.960	4.759	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC([C@H]2CCCCO2)CC1	855950929	MMTXDTDZYDCCFT-IAGOWNOFSA-N	357.585	4.508	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@@H](Sc1ccccc1)c1ccccc1	876993456	HEDRDMPPGXPMMH-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1ccccc1Cl	917510363	OGVVYXZNQQGIQP-UHFFFAOYSA-N	359.882	4.806	50	20	FJGD	
O=C(NN=Cc1ccc(F)c(Br)c1)c1ccc2ccccc2c1	917547139	LMKZTBRJYCJXDB-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2Cl)c1C	15009788	XSOOTNLAGOFFHS-OQLLNIDSSA-N	359.832	4.853	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)c1ccsc1	60421910	ZXBNGFGFQCJIEG-RIYZIHGNSA-N	352.440	4.573	50	20	FJGD	
CC(C)[C@H](CNC(=O)CCCC[C@H]1CCSS1)c1cccnc1	176340730	SYFCHPPQYVGYCU-IRXDYDNUSA-N	352.569	4.652	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2F)c1C	208293203	NNBYPFJMJIVJTP-GDNBJRDFSA-N	359.832	4.853	50	20	FJGD	
CCc1onc(C)c1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	255377665	NPNWBZYNPIZUBK-WQRHYEAKSA-N	368.481	4.556	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3cnn(C(C)C)c3c2)cc1	725718489	JYBRIILRBLZQDO-WQRHYEAKSA-N	374.444	4.562	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)N(C)C3CCCCC3)cs2)cc1	732716742	XRXWNWGOGDLMKC-SFQUDFHCSA-N	365.502	4.817	50	20	FJGD	
CN1CCCN(C(=O)CCCC[C@H]2CCSS2)c2ccccc21	737867759	BQLKPCUBVBLXCH-HNNXBMFYSA-N	350.553	4.574	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccc(Cl)c1	748637245	JSYZKGSXBJOOBQ-INIZCTEOSA-N	368.811	4.824	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1ccc(SC(F)F)cc1	748994336	MKIZXZGQCAMZHS-YRNVUSSQSA-N	365.792	4.595	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)c1c[nH]c2ccccc12	753691815	BFIRWRFFPBGXJE-UHFFFAOYSA-N	365.742	4.604	50	20	FJGD	
CC(C)Sc1cc(Br)ccc1/C=C(\C#N)c1ccncn1	758916188	PIVXEYBWPZGAAS-NTUHNPAUSA-N	360.280	4.804	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CC=C(C#N)CC3)c2C1	760004037	SIEKXGPWGVVNKO-QGZVFWFLSA-N	373.500	4.682	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C(F)(F)F)o1	770010972	QUNIOJCELHTXJJ-UHFFFAOYSA-N	371.117	4.810	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)c1cc(F)cc(F)c1	772176062	LBTKATYBPVTWLO-QDEBKDIKSA-N	355.237	4.913	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNc3ccnc(F)c3)sc2c1	781358273	HVIFCJFATLOTAW-UHFFFAOYSA-N	363.845	4.969	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cnn(Cc3ccc(F)cc3)c2)s1	797397862	BNWATKOWHUOPIS-PXNMLYILSA-N	366.465	4.889	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c(-c2ccc(C#N)cc2)n1	797399788	WFVDVBHCMROEOF-CXUHLZMHSA-N	373.485	4.777	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2cccc(Cl)n2)c1	817009271	BZABYHIGWSCVPN-UHFFFAOYSA-N	367.836	4.558	50	20	FJGD	
CCOc1ccc(NNC(=O)c2sc(-c3ccccc3)cc2OC)cc1	817904838	SPPCGNXNYJHGTI-UHFFFAOYSA-N	368.458	4.579	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCc3sccc3[C@@H]2C)c1C	824620507	RSJLHPCDIYQTKT-IQFISFIMSA-N	367.518	4.629	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN2CCc3ncncc3C2)c1	896037777	CUOAKUNBOCJONB-UHFFFAOYSA-N	351.344	4.692	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cccc(Br)c1	914163892	FNGCIJRYQVWIOC-CQSZACIVSA-N	374.369	4.779	50	20	FJGD	
CC(C)Oc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cn1	915273563	ZJMGPPIZADZIHH-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cnn(C(C)(C)C)c2)cc1	915984188	QNRSYHUXZBEPMI-PDGQHHTCSA-N	350.466	4.526	50	20	FJGD	
CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1ccccc1	915994773	PJFFRZCKXYZBNO-UHFFFAOYSA-N	355.507	4.565	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C(C)CCc2ccccc2)cc1OC	916349156	WSEQATMWGKBTHY-UHFFFAOYSA-N	368.477	4.613	50	20	FJGD	
C/C(C=NNC(=O)c1ccc(COc2ccccc2)o1)=C\c1ccccc1	916359471	CSBFSDMCVNBFEC-UTPUEBCMSA-N	360.413	4.678	50	20	FJGD	
O=C(NCC[C@@H](O)C1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	930762541	HFLCBFHMJCNKKY-GFCCVEGCSA-N	360.348	4.627	50	20	FJGD	
O=C(/C=C/c1cc(Cl)cc(Cl)c1)NNc1cc(F)c(F)c(F)c1	1322857503	QKPVAOKMYCUFRP-OWOJBTEDSA-N	361.150	4.567	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(C(=O)O)c2)cc1	1776271615	IJXBZGYTVHXLTA-GDNBJRDFSA-N	351.377	4.611	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OC(F)F)c(C)c2)cc1	7157426	MNDJQQMRZLHVJU-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
Cc1cc(SC#N)cc(C)c1NC(=O)CC1(CC(=O)O)CCCCC1	29011494	KUDJKYGNMXHQSE-UHFFFAOYSA-N	360.479	4.630	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1	127882140	OFLVQZVSGGCPDS-UHFFFAOYSA-N	373.456	4.621	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCn2ccnc2C1	183995921	VDDBPPMWJZWQSV-JTQLQIEISA-N	367.343	4.742	50	20	FJGD	
COCc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	186056157	RNEJVUCWDGMLPR-UHFFFAOYSA-N	358.288	4.731	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1	193262438	XMSHGVFJUWYUCK-SFQUDFHCSA-N	372.453	4.624	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1F	195502037	HJKYHEKAFJEUEV-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(Br)cc2F)c1C	727654661	HRELYKPPHSOREY-ZSOIEALJSA-N	358.210	4.995	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1	728717221	YBRYKXQRGZQEBM-CABCVRRESA-N	354.759	4.606	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(Br)cc1	730293899	SPBDZGZYKKFCOA-CQSZACIVSA-N	374.369	4.779	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1)C1CCCCC1	732716772	YSILRSOFQCDPCZ-ZROIWOOFSA-N	357.504	4.570	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)c1ccc(O)c(Cl)c1	734096867	ZVVHEMCIRXIHOX-UHFFFAOYSA-N	374.824	4.677	50	20	FJGD	
O=C(NN=Cc1ccc(OCC(F)(F)F)cc1)c1cccc2ccccc12	741465396	HUQJPPADUSQXGV-UHFFFAOYSA-N	372.346	4.545	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)c1	742350227	UEGSHSQUSNCICK-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
O=C(NN=Cc1cc[nH]c1)c1ccc(CSc2ccc(Cl)cc2)cc1	745192709	OYPPXAQKVUREMT-UHFFFAOYSA-N	369.877	4.724	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	748769138	CCKOQIJGKPETDW-LSDHHAIUSA-N	372.255	4.788	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1	749194183	RPEMDZRKQHUENF-UHFFFAOYSA-N	357.413	4.610	50	20	FJGD	
CN(Cc1ccc(Br)s1)/C(=C\C#N)c1ccc(F)cc1	750600471	XXRQXUUMHIHJJB-ZSOIEALJSA-N	351.244	4.646	50	20	FJGD	
O=C(NN=CCCCCOc1ccccc1)c1c(Cl)cccc1Cl	753960402	RAWFDCOSQNDJOM-UHFFFAOYSA-N	365.260	4.958	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccncn1	758914384	VGLLCVPNHVGCIP-LCYFTJDESA-N	352.191	4.563	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc[nH]2)c(C)n1C1CCCCC1	760726288	CFEDMBHJWANJDE-YZYPPFLQSA-N	364.493	4.723	50	20	FJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)c1ccc2c(c1)OCO2	761385052	KDDXFGXNMZSABG-OQFOIZHKSA-N	352.198	4.573	50	20	FJGD	
O=C(Nc1scnc1C1CC1)NN(Cc1ccccc1)c1ccccc1	762974168	QUPMLUQRBRAYGV-UHFFFAOYSA-N	364.474	4.764	50	20	FJGD	
CCOC(=O)c1sc2nc(C(C)(C)CCCCCl)nc(O)c2c1C	766291636	ZXLVFUXVRSRXIE-UHFFFAOYSA-N	370.902	4.569	50	20	FJGD	
N#CC1=CCN(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)CC1	767178455	SNSQKADVTVVWJP-VURMDHGXSA-N	354.862	4.764	50	20	FJGD	
C[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777973045	MNIXPXRTBFVZON-ZJUUUORDSA-N	365.389	4.763	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1cc2ccccc2s1	788326858	HSSSWOSMKUHQMH-QPEQYQDCSA-N	352.346	4.738	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)c(Br)c1)c1ccccn1	794867331	WCLSHIQDCZSLGM-XFFZJAGNSA-N	369.140	4.807	50	20	FJGD	
Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NNc1ccccc1	797947280	CQBMEPJLJPQVPN-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CC1(C)CC[C@@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	805109735	JRUMBEAAPUJYFM-NSHDSACASA-N	365.389	4.811	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(C(F)(F)F)cc1	807115817	FSILKWSDLMRMPC-CYBMUJFWSA-N	373.378	4.576	50	20	FJGD	
CC(=O)Nc1ccc(NCc2ccc(OCCCCl)cc2)cc1Cl	811468491	UGXASBQLKLWTPI-UHFFFAOYSA-N	367.276	4.918	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	811628504	ZBJVBFFUNYDUHN-MLPAPPSSSA-N	361.184	5.000	50	20	FJGD	
CCCN(N=C1CCC[C@H](CCCC(=O)OC)C1)C(=O)OC(C)(C)C	814927271	FOBMMCNZSJDDBH-OAHLLOKOSA-N	354.491	4.523	50	20	FJGD	
C[C@@H](Cc1cnccn1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	834743631	FRARJDLAFICIJJ-HZMBPMFUSA-N	361.820	4.739	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(c2ccccc2F)CCCC1	912642807	QFTATBAIWCQJQM-UHFFFAOYSA-N	366.358	4.800	50	20	FJGD	
CC(C)SCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558741	HFHUWNIXYJUEOZ-GFCCVEGCSA-N	357.850	4.986	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	919844158	BEFYXJKMHKCGSO-UHFFFAOYSA-N	365.842	4.506	50	20	FJGD	
CCn1cccc(CNCc2cccc(S(F)(F)(F)(F)F)c2)c1=O	922073861	LUDLUIZGJYRQCQ-UHFFFAOYSA-N	368.371	4.815	50	20	FJGD	
CC(C)c1ccc(C2(C(=O)NNc3nccc4sccc34)CCC2)cc1	1116070424	MQCFKFQEGSYHKP-UHFFFAOYSA-N	365.502	4.985	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1	1322256231	VOQYPYAHSUTFCW-UHFFFAOYSA-N	369.852	4.513	50	20	FJGD	
O=C(NN=C1CCCC[C@@H]1C1=CCCCC1)Nc1ccc(C(=O)O)cc1	1776045600	YJYUZQWVUVXLPL-QGZVFWFLSA-N	355.438	4.553	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nnc(-c2ccccc2)s1	28283307	BNLNXELUHGZIJD-ZDUSSCGKSA-N	365.549	4.858	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1OC(F)F	171389929	DFHOOGBTWDQYKC-XNTDXEJSSA-N	357.356	4.703	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cn(C)nc3-c3cccs3)c[nH]c2c1	255318702	HSCAKNJJPJFCKY-ZROIWOOFSA-N	372.453	4.728	50	20	FJGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(Oc2cccnc2)c(C)c1	732712480	JJCOAHFQMPKYNW-UHFFFAOYSA-N	360.417	4.646	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1	734268916	DFADOCPHLIUSPA-IBGZPJMESA-N	351.837	4.756	50	20	FJGD	
CCOc1ccc([C@@H](NC(=O)NNc2ccccc2)c2ccccc2)cc1	734270134	PUBHKPPMVOFUEI-NRFANRHFSA-N	361.445	4.501	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3c(C)cc(C)cc3C)o2)cc1	743763264	DOQWARGQZIDXCJ-UHFFFAOYSA-N	362.429	4.831	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(Cl)nc3)sc2C)cc1	743818973	UWXWVQSXNWEUJI-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2Cl)cc1/C=C(/C#N)c1ccncn1	758914065	GDPXZPXONYPORP-UVTDQMKNSA-N	363.852	4.677	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C#N)c(C)n1-c1cccc2ccccc12	763407240	VIWYMSHSNNKYHP-SDLDRHLBSA-N	369.424	4.610	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)c1cccc(F)c1	773171606	NWHNBCDINASYKP-RVDMUPIBSA-N	365.795	4.763	50	20	FJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc2nc(C3CC3)sc2c1	775581389	ODLUURTXDURKDG-UHFFFAOYSA-N	360.389	4.601	50	20	FJGD	
C=CC[C@H](C(=O)NNc1ccc(Br)cc1C)c1ccccc1	779012006	QFEOCJDOCQZLHH-INIZCTEOSA-N	359.267	4.561	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1	780805835	CRCXFOVBWQVGSX-UHFFFAOYSA-N	374.868	4.556	50	20	FJGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	782369731	OCWMATBZSOYQKH-RAXLEYEMSA-N	361.319	4.512	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1Cl	788627935	RVBKXJXYPLRMEX-UHFFFAOYSA-N	372.812	4.516	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)nc2)c1	797787458	QCYNIOMNLCMHGC-UYRXBGFRSA-N	369.424	4.648	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](c4cccnc4)C3)cc2C1	799871779	DWDBXWSTVWWXRD-LSDHHAIUSA-N	367.518	4.712	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	801569557	YABNEGOHMJUEJG-YVSFHVDLSA-N	364.327	4.733	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(-c2ccccn2)cc1	810336871	XCSGVRMHAFLRJY-UHFFFAOYSA-N	372.350	4.916	50	20	FJGD	
C[C@H]1CN(c2ccc(NCc3ccc(OCCCCl)cc3)cc2)CCO1	811471232	KZGQJSNHEGYXLI-KRWDZBQOSA-N	374.912	4.532	50	20	FJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](CN)C1CC1	841189073	DYGKQOMKQRIJBZ-LBPRGKRZSA-N	359.364	4.545	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cnc2ccccc2c1C(F)(F)F	879318338	UMXSDAWVAXHRHY-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
COc1ccc(CCC(C)=NNC(=O)c2ccc(Cl)cc2Cl)cc1	916359094	JEFQKNWMAQQGGY-UHFFFAOYSA-N	365.260	4.741	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)c2ccc(F)cc2)cccc1OCC	7350311	LOIBNAJMKXLEEH-GHRIWEEISA-N	353.393	4.803	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Nc2ccccc2)cc1	74194929	HWXXSULYAUZIEA-UHFFFAOYSA-N	368.868	4.735	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2ccc(Cl)cc2Cl)c1	178886482	CQRMBTXESPKORG-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1cccc(Cl)c1Cl	255507551	YUKINJJXNNTFSX-YFHOEESVSA-N	352.608	4.587	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1cccc(Cl)c1Cl	588421163	BESBLYHQQKDPJC-VURMDHGXSA-N	368.201	4.509	50	20	FJGD	
CC(C)c1nc(CCNC(=O)CCCC[C@@H]2CCSS2)cs1	726550847	DETBWKXYTOFLCR-CQSZACIVSA-N	358.598	4.639	50	20	FJGD	
Cc1cc(NNC(=O)c2cccc3c(C)c(C)[nH]c23)ccc1Br	734254927	PINSBKIWROBEIR-UHFFFAOYSA-N	372.266	4.613	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	734272842	UUTHBCNKXCXVDX-KRWDZBQOSA-N	357.866	4.817	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c(C)c1	740485847	MBDVLMZYDXXAIQ-INIZCTEOSA-N	364.449	4.654	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(SC)cc1OC	741165024	DPCNRCYMPJHWAC-RIYZIHGNSA-N	365.458	4.675	50	20	FJGD	
C[C@H](C(=O)NNc1cccc(Br)c1)c1ccc2ccccc2c1	748029968	FCNJMKADASGLPI-ZDUSSCGKSA-N	369.262	4.849	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)noc3C)c2C)cc1	748639001	ZGYJBORUOLUQFX-YBFXNURJSA-N	374.444	4.553	50	20	FJGD	
CC(C)(C)n1nc(C(=O)NNc2cc(Cl)ccc2Cl)cc1C1CC1	752812122	DSZOJKARVYUVFA-UHFFFAOYSA-N	367.280	4.579	50	20	FJGD	
CC[C@H]1CCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	758359816	RXISPRWXQAWPLS-HNNXBMFYSA-N	358.445	4.593	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cnc(C3CCCC3)s2)cc1	767718219	QNINHAADVRNNOR-WJDWOHSUSA-N	351.475	4.909	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2cc(SC)ncn2)cc1OCCC(C)C	773176056	ITVOHYVSQMCGCA-SXGWCWSVSA-N	369.490	4.696	50	20	FJGD	
CCOc1ccc([C@@H]2CCCN2C(=O)[C@H](Br)C(C)(C)C)cc1	781071193	TXASYHNVCQFTOQ-HOTGVXAUSA-N	368.315	4.558	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(NC2CCCCC2)cc1	787275826	OVCXWJMVHIXUNR-SAPNQHFASA-N	361.445	4.682	50	20	FJGD	
Cc1cnc(Cl)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	787980017	IGPVRCJGHPIXRZ-CAOOACKPSA-N	370.884	4.663	50	20	FJGD	
C[C@H](Oc1ccccc1NS(=O)(=O)CCCCCl)c1ccccc1	788060029	UHDJFTDUHDSXOC-HNNXBMFYSA-N	367.898	4.587	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccccc3OC(F)(F)F)cc2c1	811221098	CBJIDMIQGLTWIM-UHFFFAOYSA-N	366.364	4.865	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccn1Cc1cccs1	812765397	HDDPCYVFFZLIIH-UHFFFAOYSA-N	353.491	4.787	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cccc(S(C)(=O)=O)c2)CC1	834430252	JQMJLVGYLYXJQO-CPNJWEJPSA-N	373.518	4.563	50	20	FJGD	
C[C@H](c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1)C(F)(F)F	857473947	LUCSQBYGGMKMFV-SNVBAGLBSA-N	374.309	4.711	50	20	FJGD	
NC[C@H]1CC[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	868144779	BTJNBAWTFKPCAM-XYPYZODXSA-N	373.391	4.983	50	20	FJGD	
C[C@@H]1CCC[C@]1(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776637548	XOBBMBLYCDKRJA-FOIQADDNSA-N	363.574	4.804	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	7905031	VIJYDUAKCXZNOC-LFIBNONCSA-N	362.364	4.601	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(-c3cnco3)cc2)c1C	97438969	DSTAERKGBWLHDF-ODLFYWEKSA-N	374.444	4.716	50	20	FJGD	
CSc1cc(C(=O)NNc2ccc(F)cc2C)c(Cl)cc1Cl	119068006	IETIGDHGGCAMSS-UHFFFAOYSA-N	359.253	4.920	50	20	FJGD	
CC(C)N(C1CC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186339021	JWGVMLMATFBXAL-UHFFFAOYSA-N	365.389	4.906	50	20	FJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1	303642540	IKDHOIUYQHNQDG-OVCLIPMQSA-N	364.342	4.905	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)c1ccc(Cl)s1	588559684	XIDWDKZDEUJTTJ-TWGQIWQCSA-N	352.198	4.543	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C[C@H](c1ccccc1)C(F)(F)F	728463500	SKADURAUDYTXQZ-CQSZACIVSA-N	367.323	4.853	50	20	FJGD	
Cc1ncccc1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1	728785715	KUMKGOFQVKLEBO-NBVRZTHBSA-N	355.397	4.728	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	733807762	KYHDFKNRWFYSCK-PKNBQFBNSA-N	365.658	4.649	50	20	FJGD	
Cc1cc(NNC(=O)c2cccc(C(F)(F)F)c2)ccc1Br	734252771	HCOYUAXQRKRRHS-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CC[C@@H](C)[C@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	735114764	NVFSIUQJJJILPB-DYVFJYSZSA-N	361.283	4.722	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1F	739426231	KJYLRCIJPDQKKD-PDGQHHTCSA-N	365.452	4.834	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1F	739427629	WLDWCGCRYASHKN-RVDMUPIBSA-N	371.843	4.871	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OCC)c1	741468006	BZEVXSCVODETNX-MLJKTZRHSA-N	369.383	4.939	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)n1	741847410	GKHLOFZUWBFOFK-XYOKQWHBSA-N	369.421	4.872	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	748098991	PSSUHEUGEWQNNN-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2ccc(F)c(F)c2)cc1	748101896	PCHLGQSXODVWRU-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2cccc(Cl)c2)n1	748561025	AGQMOYUACYLKGP-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	750800545	GQSFUTFKMZTTIY-FSBBIFGZSA-N	352.865	4.650	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCCC(F)(F)F)c1C	751636103	HLGVDACDOQATOM-WJDWOHSUSA-N	356.388	4.698	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cc(Cl)ccc2OC(F)F)ncn1	773172807	PADUAMLXYJXEPB-ONNFQVAWSA-N	353.781	4.517	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2ccccc2)o1)C(=O)c1cccc2c1OCCO2	779703125	CYEBWFXVRXOQRU-FYWRMAATSA-N	373.364	4.633	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cccn3Cc3ccccc3C#N)[nH]c12	782197844	ZRXJCMJCOPZRPZ-UNOMPAQXSA-N	363.424	4.657	50	20	FJGD	
C[C@@H]1COc2ccccc2CN1C(=O)CCCC[C@H]1CCSS1	782737661	ZDZMJNLBFQPNOG-ZBFHGGJFSA-N	351.537	4.510	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl	787145014	OEOABKNBLABVGM-AAWHYMEISA-N	370.239	4.649	50	20	FJGD	
CCSc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)c1	787154779	MEEFOXXPJBDGOB-GYZOOYGHSA-N	366.486	4.592	50	20	FJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)c1cc2ccccc2s1	788362801	OHDMKOUQXKCQMW-NTUHNPAUSA-N	363.829	4.992	50	20	FJGD	
CCCCCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)ccc1OC	812242810	VSGSGVSZFAOTLD-WJDWOHSUSA-N	367.405	4.632	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2Cc2ccccc2)nn1[C@@H](C)C1CC1	846464739	RNUCCZVVTCHNLW-KRWDZBQOSA-N	374.488	4.510	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3)c3ccccc3n2)o1	912709876	NSHSTDIILIBGLT-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
CC(C)(CNc1cccc(S(F)(F)(F)(F)F)c1)S(C)(=O)=O	1254868405	GCHKEFVZVQYXKB-UHFFFAOYSA-N	353.378	4.579	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2csc(-c3ccsc3)n2)c1	63277547	HDOSBBQSXRTFLG-AUWJEWJLSA-N	352.440	4.670	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc([N+](=O)[O-])cc1	83327093	COEUJQYGBJECBO-LFIBNONCSA-N	360.325	4.617	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1ccccc1Cl	104122961	DPUPVUMDFJLXOR-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)C1(c2ccc(Cl)cc2)CCCC1	110787438	IPWWOXCROJMAHX-UHFFFAOYSA-N	368.786	4.712	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1	110962665	IRSVFEVKIBEJIS-UHFFFAOYSA-N	353.731	4.597	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1	120400470	LSCPXWXEKOWDDM-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
O=S(=O)(Nc1ccccn1)c1cccc(S(F)(F)(F)(F)F)c1	188028006	QCTWCHDPJIJKJX-UHFFFAOYSA-N	360.329	4.540	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2ccc(Cl)cc2[nH]1	729515566	HXUCMBKJVSCUSU-UHFFFAOYSA-N	371.227	4.780	50	20	FJGD	
CC(C)(CNC(=O)CCCC[C@@H]1CCSS1)c1cccc(F)c1	735658988	RCBUMLAJBHEGQP-MRXNPFEDSA-N	355.544	4.934	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1Cl	741467600	BBVPWSVLLBTWRB-ZROIWOOFSA-N	350.809	4.549	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(Br)cc3Cl)nc12	742433928	CTWXMQUBCADQKC-WDZFZDKYSA-N	373.641	4.746	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743336225	FHRIQFBQBYZJJA-STQMWFEESA-N	357.187	4.518	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc3cc(Br)ccc3c2)c1	746290829	UIQBUAQEZABDTD-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
COc1ccccc1[C@H](C)CC(=O)NNc1cc(Cl)ccc1Cl	752808467	UQJPGSGALCSFJR-LLVKDONJSA-N	353.249	4.639	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c(C(C)(C)C)n1	769552362	VWGLHXPPBXNKIL-XGICHPGQSA-N	362.260	4.814	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1nc2ccsc2s1	770035766	VAZXWLJBZBDWHK-UHFFFAOYSA-N	358.370	4.525	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)c1ccc(OC(F)F)cc1	776256086	AUBGJAASBLJQGP-FLIBITNWSA-N	351.711	4.870	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1	783714464	JHKCFTPGSSLIIS-JYRVWZFOSA-N	353.834	4.890	50	20	FJGD	
C[C@@H](C=NNC(=O)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1	788952585	ZEXMFSMXJSVMPJ-LBPRGKRZSA-N	359.351	4.706	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)s1)C(=O)[C@@H]1CCCOC1	794884527	PYNLLVQJRKAHIV-MFYHJKBNSA-N	357.862	4.971	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-]	799704838	MKBNVSGJAIAKPQ-UHFFFAOYSA-N	365.414	4.503	50	20	FJGD	
Cc1nc(-c2ccccc2NC(=O)NNc2c(C)cccc2C(C)C)no1	812925284	XNYCYSAHMWGEDJ-UHFFFAOYSA-N	365.437	4.625	50	20	FJGD	
CN[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841191379	ZGQKRXPASUITHA-NSHDSACASA-N	359.364	4.560	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3coc(C)n3)cc2)cc1	918013808	XTRHYPSOGVJPDJ-LDADJPATSA-N	373.412	4.594	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)cc2)o1	1777433579	GKRDAEZRUXTUBH-XDHOZWIPSA-N	357.365	4.743	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2	8078200	OJPLXTYOVIHUBM-AWNIVKPZSA-N	364.788	4.648	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1F	14824339	JFZYDFWIHVKPNE-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2Cl)cc1	25707415	LASGZIUJLLEHEM-RGHBXIHOSA-N	354.837	4.523	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(SC)cc2)c1C	26309362	XHMMQJQZYIDYDP-SFQUDFHCSA-N	353.491	4.783	50	20	FJGD	
CC(C)(C)[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	726705800	SMJUGHJHASKDHK-INIZCTEOSA-N	363.408	4.702	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12	727975175	BBEXIUCGHUJLHU-JYRVWZFOSA-N	356.303	4.856	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2c(s1)CCCCCC2	734554988	NHKDCJQHSBVQIL-UHFFFAOYSA-N	354.397	4.581	50	20	FJGD	
CCSc1ccc([C@@H](C)NC(=O)NNc2cc(F)c(F)cc2F)cc1	734667551	HYDGEUXMOZSLDQ-SNVBAGLBSA-N	369.412	4.603	50	20	FJGD	
Cc1cc(C)cc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c1	742345929	FFUOXZZVJFOPDJ-FYJGNVAPSA-N	356.425	4.787	50	20	FJGD	
N#Cc1cccc(NNC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)c1	748045423	KTXZPBJIVILXRU-LUAWRHEFSA-N	363.417	4.582	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1sccc1-c1ccc(F)cc1	748769700	NQKZXHGZNJOQFL-UHFFFAOYSA-N	363.417	4.859	50	20	FJGD	
Cc1ccc(Oc2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2)nc1	752386957	RKCLZWPJYVKUAY-SFQUDFHCSA-N	373.387	4.867	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl	753887847	OGUQJJXQJBXTHH-NTUHNPAUSA-N	361.228	4.856	50	20	FJGD	
CSCCNC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	762441186	ADDOLKBOXIDTTI-UHFFFAOYSA-N	352.419	4.993	50	20	FJGD	
CC(C)Oc1c(F)cc(NC(=O)NNc2c(F)cccc2Cl)cc1F	771194159	LRLDZMFAQQULAZ-UHFFFAOYSA-N	373.762	4.693	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C	771702179	VHIUUTRBYYZJAA-INIZCTEOSA-N	365.452	4.919	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(F)F)cc1)c1ccccc1	787140525	HGBCOHRJNQQPIF-GTVARFKMSA-N	370.399	4.505	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1cccc(C)c1C	787170376	YLLJROZDXGOMTP-FJYMYNMMSA-N	361.401	4.704	50	20	FJGD	
Cc1ncsc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787177079	DXLGQGGNVRERLN-BVBCSLMJSA-N	366.273	4.543	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(-c2ccco2)cc1F	787722076	QRNCEJCUEIQMIU-XNTDXEJSSA-N	350.324	4.770	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1cc2ccccc2s1	788327854	LNWAIHAIHPGPGL-YVLHZVERSA-N	355.422	4.877	50	20	FJGD	
Cc1cccnc1NNC(=O)c1cc(Cl)ccc1Sc1ccccc1	791214471	HDPYVAGGQUWUOK-UHFFFAOYSA-N	369.877	4.952	50	20	FJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)c1nc2cc(F)ccc2s1	794875994	ZOXAOQVQTNYRJH-FMIVXFBMSA-N	364.380	4.824	50	20	FJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)[C@H]1CCC(C)(C)C1	796533477	TURYZFMTLBDINS-IBGZPJMESA-N	355.462	4.511	50	20	FJGD	
O=C(NCC(Cl)Cl)c1oc2ccccc2c1COc1ccccc1	816606103	ZEQAZCOIJYBZSA-UHFFFAOYSA-N	364.228	4.545	50	20	FJGD	
CC(C)c1ccc(NNC(=O)C2(c3ccccc3Cl)CCOCC2)cc1	837057599	ZUYIZKLTOVMORK-UHFFFAOYSA-N	372.896	4.655	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(Cl)s1	839389453	HFPFQEIMMDQJRF-UHFFFAOYSA-N	370.861	4.598	50	20	FJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1	917145317	QUHAGIPBTSUPNE-XNTDXEJSSA-N	370.836	4.683	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccccc2OCc2cccnc2)nc2ccccc21	128041465	PDLFEVNYIIVBPF-CPNJWEJPSA-N	366.424	4.611	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(F)cc3C)c2C(C)C)cc1	160765556	YSFYSMPYRKTXGI-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
Cc1nnc(-c2cccc(NC(=O)CCCC[C@@H]3CCSS3)c2)o1	174385455	QPWINIFDFAZEHV-OAHLLOKOSA-N	363.508	4.698	50	20	FJGD	
O=C(NNc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	192757267	DQSMPIZXHGRTBY-UHFFFAOYSA-N	365.414	4.503	50	20	FJGD	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	213157298	JYOCWRAGSFTQBF-ZSOIEALJSA-N	352.242	4.640	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCCn1ccc2ccccc21	302712118	VVZPDBWXWUPUML-QGZVFWFLSA-N	362.564	4.862	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc4c(c3)CC(C)(C)O4)c[nH]c2c1	729150940	QTRXBJVXXHNELS-LICLKQGHSA-N	356.425	4.980	50	20	FJGD	
CC[C@H](NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(F)cc1	738416010	HIENAZOEPZUADU-VFNWGFHPSA-N	366.436	4.518	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1	742827348	ZGOVYVUHNSJJSJ-MHWRWJLKSA-N	374.362	4.736	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)c1cccc(Cl)c1	743057499	SWWIJBSISVSNFR-MHWRWJLKSA-N	361.788	4.712	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)CCOc1ccccc1	747051463	NWEQQWLEGZUVJD-UHFFFAOYSA-N	364.445	4.695	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c(C)n1C1CCCCC1	753313672	SRAWQMUYWOBUEV-UHFFFAOYSA-N	370.884	4.892	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)c2nc3ccccc3n2C)cc1Cl	753887968	SOEOPFJXRRPSSG-GHXNOFRVSA-N	358.228	4.953	50	20	FJGD	
CC(CCC1CC1)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	768763129	BEHCYIGJFMZMJQ-UHFFFAOYSA-N	366.490	4.691	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(O)ccc2Br)c1	769772890	DXOHIKXVWHJSPJ-OVCLIPMQSA-N	356.219	4.561	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc(C)c1O	773143970	HBZRKRLIHVXALV-VGOFMYFVSA-N	363.310	4.957	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccc1F	790002872	OIHZSXQTJPCEIP-UHFFFAOYSA-N	372.387	4.855	50	20	FJGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1	798983191	YIBSHHOBDHUIOA-GFCCVEGCSA-N	359.351	4.500	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1	811485103	AHVGDGBIYAWJHE-DENIHFKCSA-N	373.924	4.952	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(-c2ccc(F)cc2)on1	812764709	DIGZAAWMTQVAGI-UHFFFAOYSA-N	353.397	4.669	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)Nc1cc(C(F)(F)F)ccc1Cl	814477319	UBMLFVZYMQXGCZ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
C[C@@H]1C[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1	841191461	ZOGZFNVNZHDOMG-MWLCHTKSSA-N	359.364	4.606	50	20	FJGD	
O=C(NN=C1CCC(=C2CCC2)CC1)c1ccc(Br)s1	853276391	CLMHEVKFYXYZGF-UHFFFAOYSA-N	353.285	4.651	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2cccs2)c1C	914275902	GFUPREPEAJJZHI-HJDVLLJCSA-N	367.518	4.847	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccc(Cl)cc3)cs2)cc1	918707899	CFMSKWXRWLEEGF-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccc(OC)cc1	1317711630	DJMAPDMSHUKBES-UHFFFAOYSA-N	350.418	4.548	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCCc2cnn(C(C)C)c21	1343662303	APWLSLARYDXBEI-SFHVURJKSA-N	369.513	4.600	50	20	FJGD	
CC(C)Oc1ccc(C(=O)O)cc1C(=O)/C=C/c1cccc(CCl)c1	1776355389	HNTAOTSLVRXBLP-SOFGYWHQSA-N	358.821	4.807	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1F	22747912	KHYBFBBRASEBQI-UKTHLTGXSA-N	367.380	4.634	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(F)c(F)c2F)sc2ccc(F)cc12	103274513	WWURQVVXASCPQD-UHFFFAOYSA-N	354.328	4.523	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1sc2ccccc2c1Cl	175494724	IBTBOYSWLPIOSK-UHFFFAOYSA-N	356.756	4.729	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2F)c(C)c1	255864088	WYCFZTLKWBEMJM-YBEGLDIGSA-N	374.419	4.687	50	20	FJGD	
CC(C)(C)c1csc(CNC(=O)NNc2ccc(Cl)cc2Cl)n1	729622637	RRIOHSHLTQAYGT-UHFFFAOYSA-N	373.309	4.574	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1cc(F)c(F)cc1F	734553678	XBMXBRGXOOSRMU-UHFFFAOYSA-N	370.330	4.689	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2)c1Cl	741470892	WZKGBYMKLVCCII-RQNDZEIBSA-N	355.869	4.806	50	20	FJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)cc3)s2)cc1	747354257	HJPLQERUZSISDP-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1	748113353	ZLTGAPHNVNPLBA-UHFFFAOYSA-N	353.834	4.697	50	20	FJGD	
CCCCN(C)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	749265324	LRGJGRGTJJAPKP-UHFFFAOYSA-N	365.399	4.699	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc2ccccc2o1	753170959	UDJJTNSAJNGNGI-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)c1nc(-c2ccccc2)no1	754679343	FCTJVTKHRJNXQL-JYRVWZFOSA-N	357.291	4.541	50	20	FJGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(F)c(Cl)c1Cl	761808421	SEFCBDIOBAUQRE-UHFFFAOYSA-N	353.224	4.606	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H]1CCSC1	762271087	ZXSWKKZSGRJGGA-PELKAZGASA-N	355.834	4.598	50	20	FJGD	
Cc1ccc(-c2nc(C(=O)NNc3c(Cl)cccc3Cl)cs2)o1	763610683	MFRISGLTWRVKKM-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(Cl)cc2)cnn1-c1cccc(C)c1	770060104	SRAHHKAEYHVROT-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2cccc(Cl)c2)n1	771697031	HUYIRHBNYDVOEW-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)c2cc3ccccc3cc2O)C1	780186875	ADUFFQZOLRLZLH-HSZRJFAPSA-N	358.441	4.773	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21	780527380	MZWNSSHYVVSOBL-KAMYIIQDSA-N	369.346	4.865	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2csc3ccccc23)cc1	787151920	UBMNWHLVIQEQLO-VQCBNXJZSA-N	362.454	4.694	50	20	FJGD	
CSSCCNC(=S)Nc1ccc(Oc2ccccc2)cc1	789324506	HOAUQVYMVVZRBY-UHFFFAOYSA-N	350.534	4.777	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	789888376	RGCQJFFRMDAQGB-UHFFFAOYSA-N	354.397	4.715	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H]2CCOc3c(Cl)cccc32)cc1	811475368	KKWGKVFODMYENM-GOSISDBHSA-N	366.288	4.961	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1	812248088	CSJVLMJWHJWSHM-XCVCLJGOSA-N	358.241	4.889	50	20	FJGD	
CC(C)(CO)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	834588298	SCGJCOCSBPXLLB-AEFFLSMTSA-N	367.580	4.577	50	20	FJGD	
Cc1nc(-c2c(C)noc2C)sc1C(=O)NNc1ccc(C(C)C)cc1	837052573	CDNJPUBKZJHNOT-UHFFFAOYSA-N	370.478	4.604	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccc(Cl)c(Cl)c2)c1	916595928	ASESTGNQBXMDRQ-AUWJEWJLSA-N	362.212	4.652	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(OC[C@H]3CCCO3)cc2)c1	918713318	IHRDUFDYMQOBDZ-VLOXRPPESA-N	361.441	4.651	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OC(F)F	7001002	XWDCGPMUVBUKCF-JLHYYAGUSA-N	355.344	4.627	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	16436956	KUYGRSBUBTYYOI-BJMVGYQFSA-N	353.155	4.817	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)cc1	67005900	AOVAJOQUULGPHA-YBEGLDIGSA-N	374.362	4.790	50	20	FJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)cc3)c12	120329665	BVPUEHHAXLTWAO-UHFFFAOYSA-N	370.840	4.634	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccccc12	120393262	COUPMRFFGXLPDG-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(Br)c(Cl)c1	158317392	XXVGZMDSIBSZOT-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=S(=O)(N[C@@H]1CC=CCC1)c1ccc(S(F)(F)(F)(F)F)cc1	181684973	KURYTWNAFRVPQI-SNVBAGLBSA-N	363.373	4.731	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(F)c(Br)c1	211477917	XEZISXAVEXRCPH-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
C[C@@H](Sc1cccc(C#N)c1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	255546593	LRCKVACURWOGOY-WGBIJJAVSA-N	363.467	4.561	50	20	FJGD	
Cc1cc(SC#N)ccc1NC(=O)[C@](C)(CC(=O)O)C1CCCCC1	726604111	GAZJGQQSQLLNOC-LJQANCHMSA-N	360.479	4.568	50	20	FJGD	
CCc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)s1	731156416	DTJJEAYMJOAFMY-MDWZMJQESA-N	372.298	4.956	50	20	FJGD	
O=C(NNc1ccccc1)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	732265986	WFJBMOPICRAXGO-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCSCC1	732932146	KMUFVQMOBUSSIK-ZDUSSCGKSA-N	369.861	4.988	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3[nH]ccc3c2)c1C	733128559	NNBZKGXGEAEYRV-XDHOZWIPSA-N	360.461	4.932	50	20	FJGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	735009894	QVKDOIVZVJYEFS-LBPRGKRZSA-N	359.297	4.751	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1C	742224852	ZPHJQTCZLOCXOJ-XBNGYDHASA-N	369.431	4.515	50	20	FJGD	
CCC(CC)[C@H](NC(=O)NNc1ccc(Cl)nc1)c1cccs1	745702977	MGFAQPRKOFFRHR-HNNXBMFYSA-N	352.891	4.600	50	20	FJGD	
O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)NNc1ccccc1	745868773	RIHLPCQMJOCIPW-UHFFFAOYSA-N	369.371	4.583	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3C[C@@H](C)C[C@H](C)C3)s2)cc1	747750781	DXDDAZAOPPTCKT-STQMWFEESA-N	371.506	4.548	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)ccc2OC(F)F)c(C)c1	748856200	GKBDGQVEPFKCRW-UHFFFAOYSA-N	354.784	4.624	50	20	FJGD	
C=CCn1c(SC/C=C\C#N)nc2scc(-c3cccs3)c2c1=O	763301281	OHKWUZBVMFUXCP-ARJAWSKDSA-N	371.512	4.544	50	20	FJGD	
O=C(CCCc1cccc(C(F)(F)F)c1)NNc1cccc2cnccc12	771432593	WKBWUIXABGVTIE-UHFFFAOYSA-N	373.378	4.720	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c(-c2ccccc2)n1	773145993	VPLSZIDTDKWKOY-DHDCSXOGSA-N	365.795	4.669	50	20	FJGD	
C[C@@H](C(=O)NNc1c(Cl)cccc1Cl)c1cn(C)c2ccccc12	773370207	YUZLHAYHTQDBPJ-LLVKDONJSA-N	362.260	4.732	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc2c(s1)CCCCCC2	775265195	VURPOZBEWHGUQS-UHFFFAOYSA-N	369.412	4.578	50	20	FJGD	
C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777936854	MEHAXZCQZKRWMA-BXKDBHETSA-N	365.389	4.811	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	779203496	CWVLUMDOXFCYKK-UHFFFAOYSA-N	368.355	4.521	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(Cl)cn2)c1C	781603050	NSMXTWLHGJJTHW-HAKPAVFJSA-N	371.868	4.775	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(C2CCCCC2)n1	783687835	FPQVEAITGYFXKZ-SFQUDFHCSA-N	359.433	4.582	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1)c1ccccc1	790609669	NRCQXMCFEDWFRM-RBFDBLARSA-N	353.491	4.615	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cscc1Br	794686415	AXMGOSYSMHAAEO-SDQBBNPISA-N	361.264	4.673	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc3cnccc23)cc1Cl	810687789	ZQYWZFJKTNXYPF-UHFFFAOYSA-N	353.853	4.943	50	20	FJGD	
ClCCCOc1ccc(CN[C@H]2COc3c(Cl)cccc32)cc1	811483588	IMWXMVSZURSQQA-KRWDZBQOSA-N	352.261	4.571	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)Nc1ccccc1Cl	814188312	YTDSUBJDAMSMME-YGPCBGHTSA-N	366.848	4.978	50	20	FJGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccccc2Oc2ccccc2)C1(C)C	846460549	DLTGQCDSRSHCKR-AEFFLSMTSA-N	366.461	4.563	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2cc(C)ccc2C)cc1OCC	857830788	DVCGZHBVMKLMHL-UHFFFAOYSA-N	356.466	4.638	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccsc2)c(C)n1C1CCCCC1	915285653	PNVVYKAILTUZHK-ODLFYWEKSA-N	367.518	4.895	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(-c2ccccc2)s1	1116070108	BWAURFRDRXJXPA-UHFFFAOYSA-N	351.456	4.782	50	20	FJGD	
Cc1cc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)o1	1318032818	QYUYRRNTOCODRZ-OBLBUWMUSA-N	367.493	4.755	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3ccc(C#N)cc3)o2)c1C	1324102575	XMADTMVBKIRXDY-ODLFYWEKSA-N	357.417	4.501	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)cc1	1776271655	QWIDPYFNPKCNHA-XNTDXEJSSA-N	351.377	4.611	50	20	FJGD	
Cc1ccc(SCCNC(=O)CCCC[C@H]2CCSS2)cc1	61478211	FZXJPLRJJMDQSW-INIZCTEOSA-N	355.594	4.917	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2ccc(OC(F)F)c(Br)c2)n1	131279555	KRYYFNPYFSXKIV-ONNFQVAWSA-N	371.206	4.880	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(c2ccncc2)CC1	192289897	DSOVYHHQVONAAP-QGZVFWFLSA-N	350.553	4.502	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccccc21	210934639	VLKDRYZFDOEGLX-OWBHPGMISA-N	370.368	4.806	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OCC)cc1	213103584	JMSPWPPRBDLBIC-SDXDJHTJSA-N	364.445	4.810	50	20	FJGD	
C[C@@H](N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)O	296974897	XKGODQCNLLHUQK-SECBINFHSA-N	362.364	4.967	50	20	FJGD	
C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(CCCl)cc1	321593917	JNEQDYIAAHXFDO-ZDUSSCGKSA-N	372.317	4.503	50	20	FJGD	
CCOC(=O)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	725892591	GHIPPXFTAMAUGU-OAHLLOKOSA-N	353.509	4.516	50	20	FJGD	
CCCCc1nc(COC(=O)/C(C#N)=C/c2ccc(OCC)cc2)cs1	733417377	VBSPXCPXFJRJIX-LFIBNONCSA-N	370.474	4.535	50	20	FJGD	
C[C@@H]1CC(=NNC(=O)c2ccc3ccccc3c2)CCN1Cc1ccccc1	734298784	MELWNOMFUDMBJV-GOSISDBHSA-N	371.484	4.610	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)ccc1OC	735618867	GPIMSGKUHJUVGK-LICLKQGHSA-N	359.429	4.899	50	20	FJGD	
CC[C@@H](CC(=O)NNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1	738556581	YDARWJSQDMPKOF-KRWDZBQOSA-N	369.534	4.513	50	20	FJGD	
CCO[C@@H]1C[C@H](NC(=O)CCCC[C@@H]2CCSS2)C12CCCC2	742918062	KKIVKTGDFHJDNF-OWCLPIDISA-N	357.585	4.555	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(OC2CCC2)cc1	748018010	CDRAOBCKPKYFEA-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
Cc1ccc(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc1	749201031	VECJPTMBJSQQLP-MWABVPJASA-N	352.400	4.587	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	751449158	ZTIYXCGOHCNDRN-MHWRWJLKSA-N	360.413	4.592	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2Cl)c(C)c1	761391918	JFZJFMVSUNHDOS-NVNXTCNLSA-N	367.811	4.822	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3c[nH]c4cc(F)ccc34)cc2c1	763285585	SSNPGRFDRIVTHV-MDWZMJQESA-N	360.344	4.852	50	20	FJGD	
CC(C)c1c(C(=O)NNc2c(F)cccc2Cl)cnn1-c1ccccc1	770197723	UFLRJYUNQMNIQM-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(Oc2ccncc2)c1	771143137	UGBAEZTXQVBANX-UHFFFAOYSA-N	372.787	4.815	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F)O[C@H](C)C2	773149740	KFBQMJCSFWVYEU-JBARUQGQSA-N	371.795	4.601	50	20	FJGD	
CCN(Cc1ccc2ccccc2c1)C(=O)/C(C#N)=C\c1ccc(O)cc1	786903557	XRSUPMDMBMAUEB-BKUYFWCQSA-N	356.425	4.501	50	20	FJGD	
CCSc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)c1	787154778	MEEFOXXPJBDGOB-BRYHAGSVSA-N	366.486	4.592	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c2c(c1)C[C@@H](C)O2	797406252	QVZJCFHREFPKMH-FKZYXTMDSA-N	354.475	4.837	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)c3ccccc3)nc2)cc1	797785755	SNJSEAPJPWZBTI-XMHGGMMESA-N	368.440	4.704	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)C(=O)c1ccccc1F	799892138	WXXUZGXOGHNOLQ-VQHVLOKHSA-N	366.136	4.656	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1ncc(-c2ccccc2)o1	812762706	IXUZOONYRQSCNV-UHFFFAOYSA-N	363.461	4.849	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)CC(=O)c1ccccc1F	812766638	UBQFWJLRMQLKIG-HNNXBMFYSA-N	356.441	4.610	50	20	FJGD	
O=C(NN=C1CCCC[C@H]1C1CCCCC1)c1cc(Br)c[nH]1	814780032	FEEJBLCREKASNA-AWEZNQCLSA-N	366.303	4.634	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)o1	825260042	ULWSMOWYFYIZAD-UHFFFAOYSA-N	363.461	4.605	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1	831631647	LVOXMYFCGNNOCK-UWHLTILDSA-N	371.597	4.594	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)cc1	920064698	JMCRCXBFFUOYOV-LZYBPNLTSA-N	372.496	4.518	50	20	FJGD	
COc1cc(C=NN(C)C(=O)OC(C)(C)C)c(-c2ccccc2)cc1OC	920377935	JNOCHUMDJXMNJW-UHFFFAOYSA-N	370.449	4.572	50	20	FJGD	
O=C(O)c1ccc2oc(/C=C\c3ccc(OCCCCl)cc3)nc2c1	1777685440	NTFCEPCKRMIXFP-WTKPLQERSA-N	357.793	4.704	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)C(=O)NCc1ccco1	22841295	WYTQJVQMIFAZNJ-JLHYYAGUSA-N	368.845	4.885	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)c1ccc(Br)s1	107067059	DVZCZQZGISMNOJ-UITAMQMPSA-N	354.175	4.579	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1sccc1-c1ccccc1	122177532	YXUHJPHHOCCIQG-UHFFFAOYSA-N	360.385	4.773	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)s1	134288746	MVBKAJCIJODNPI-QMMMGPOBSA-N	364.776	4.547	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccccc1Cl	158211849	FACDXSLGYLDXRB-UHFFFAOYSA-N	368.868	4.580	50	20	FJGD	
CC[C@@H](NNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1F	160877666	QRQRITYKAZMTMS-CQSZACIVSA-N	359.203	4.657	50	20	FJGD	
CC(C)NC(=O)CCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183984852	ZFYKEWABXGEYLQ-UHFFFAOYSA-N	374.375	4.977	50	20	FJGD	
N#C/C(=C\c1nccn1-c1ccccc1)c1nc2ccccc2n1C(F)F	191263104	YRKYCYLONLDDQL-WYMLVPIESA-N	361.355	4.681	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1F	212383510	KPCZRLMSYLPCCX-RGEXLXHISA-N	372.399	4.950	50	20	FJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1C	217007144	LZCHCGXOLLZNAR-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3	255394692	NPCVTTNCSAUNGR-XFFZJAGNSA-N	369.396	4.618	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(OC[C@H]3CCCO3)cc2)c1C	727655110	NJUGMNSJRJVVQH-CNSVBDKNSA-N	361.441	4.651	50	20	FJGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)s1	728004942	KQPZWVBAPXRUMX-GRSHGNNSSA-N	369.534	4.696	50	20	FJGD	
CCOc1ccc([C@@H](NC(=O)NNc2ccccc2)C(C)C)cc1OCC	734267188	YGVKZKZJZWFWIH-FQEVSTJZSA-N	371.481	4.507	50	20	FJGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3c2)c(OC(F)F)cc1C	743437561	FWGMGQRGVNMJQG-UHFFFAOYSA-N	368.383	4.822	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2c(Cl)cccc2Cl)cc1C(F)(F)F	748628803	GNFWQXJXUKTMCR-UHFFFAOYSA-N	374.149	4.641	50	20	FJGD	
CC(C)(C)[C@@H]1NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771865587	XETUKBHDYJJRDD-SNVBAGLBSA-N	358.332	4.815	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)c1cccc(F)c1	772171013	APOCQFJCFQNCAN-SDQBBNPISA-N	351.711	4.870	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)c1nc(-c2ccccc2)no1	787170667	ZXKYTFSRLDGRFV-JMRZXEDWSA-N	358.357	4.655	50	20	FJGD	
Cc1cnc(Cl)c(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1	787458096	MMGHTGBEWKDYHS-UHFFFAOYSA-N	366.852	4.787	50	20	FJGD	
CCCCn1ncc(NC(=O)[C@@H](Br)C(C)(C)C)c1C(C)C	791642908	QVZFIBKDEHDFFU-CQSZACIVSA-N	358.324	4.555	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(O)ccc2Br)s1	797399952	YGIWCORKGBVQRM-WDZFZDKYSA-N	363.280	4.973	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)cc1C	809147022	WVVVAOMMWXUKLS-CPNJWEJPSA-N	353.425	4.962	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC3(CCCC3)CC2)ccc1OC(C)C	811634696	YUSPZMUDKILTKX-UHFFFAOYSA-N	358.482	4.703	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C3CCCC3)s2)cc1[N+](=O)[O-]	840722744	NTVMSDOOVUQUBI-OVCLIPMQSA-N	367.430	4.807	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(COc2ccccc2)cc1	912643248	LOMOGEMYGNSKSK-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
Cn1cc(C(=O)NN=Cc2ccccc2-c2ccccc2)c2ccccc21	917541395	XCWUBILLWINOFD-UHFFFAOYSA-N	353.425	4.609	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)CC(C)(C)C)o2)c([N+](=O)[O-])c1	918713758	NGFKIHUEQSVORC-LCYFTJDESA-N	368.389	4.776	50	20	FJGD	
Cc1cc(C)c(NNC(=O)NCc2nc3cc(Cl)ccc3s2)c(C)c1	920811608	JFJBSVBRJUZKBG-UHFFFAOYSA-N	374.897	4.701	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3ccc(Cl)cc3F)o2)cc1	1326093545	HKIASKREOWICLO-LCYFTJDESA-N	369.783	4.992	50	20	FJGD	
O=C(NN=C1CCC[C@H](c2ccccc2)CC1)Nc1ccc(C(=O)O)cc1	1776045975	VPBLUPZJSAEAJB-INIZCTEOSA-N	365.433	4.610	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776682968	ZPDKHWMOQODRNF-UDWIEESQSA-N	361.441	4.893	50	20	FJGD	
Cc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1	100160128	HELCVDXMYDNUTK-UHFFFAOYSA-N	367.452	4.923	50	20	FJGD	
c1ccc([P+](Cc2cncs2)(c2ccccc2)c2ccccc2)cc1	142273708	GTFRNMWXSILPEI-UHFFFAOYSA-N	360.442	4.637	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(Cl)c(Cl)c1Cl	209321249	NXYZFZMAPZKLSD-RJRFIUFISA-N	364.059	4.978	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(SC)cc2)c1C	210244675	XHMMQJQZYIDYDP-ATVHPVEESA-N	353.491	4.783	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)c(C)c1	213102077	OYXLUIPAYUDLKT-YBEGLDIGSA-N	369.262	4.920	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-]	255498425	IJXDKDMICGCJHM-JYRVWZFOSA-N	354.316	4.712	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1OCc1ccc(F)cc1	726120729	YLAYSLBXAYDYGN-WQRHYEAKSA-N	367.420	4.935	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1F	727653925	BXPISBDYBBDDFU-SFQUDFHCSA-N	359.404	4.591	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c1C	727655405	WGZKCWQHWFGESE-RIYZIHGNSA-N	372.327	4.603	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(OC)c(COCC)c2)cc1	747613348	YNYLESOBETZUSV-MOSHPQCFSA-N	363.457	4.974	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1F	748018106	IIESWDYTKIFJNR-GHMZBOCLSA-N	357.187	4.518	50	20	FJGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)n12	748996930	COXYXTBDBKEYBF-XYOKQWHBSA-N	356.212	4.739	50	20	FJGD	
COC[C@@H]1CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762981224	YWSQRYBPNIDUAJ-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC(=Cc2ccccc2F)CC1	768251047	FMPRGPMWDFENCZ-INIZCTEOSA-N	368.290	4.641	50	20	FJGD	
C[C@@H](CBr)CN1CCC(c2nc3ccccc3s2)CC1	770646773	SKIGVDCFGCXPFC-LBPRGKRZSA-N	353.329	4.507	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)Nc1ccc(OC(F)F)cc1	774386576	CZZWUVSCFVLIFW-UHFFFAOYSA-N	353.291	4.518	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2cc(Cl)ccn2)cc1F	778451087	ATTQMSBEWLILOU-UHFFFAOYSA-N	373.790	4.746	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCC3(C)C)cc2)cc1	788955907	XUNJFSKTGXQEGN-UHFFFAOYSA-N	366.461	4.570	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2cc(C)ccc2C)c(OC(C)C)c1	790804603	OKTDCNDZXPLMLO-UHFFFAOYSA-N	356.466	4.636	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	794100067	YJTBBECLAAJHBR-YBFXNURJSA-N	357.388	4.742	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OC[C@H]3CCCO3)cc2)cc1C	809147029	XBGQFVVVCLTNTJ-VLOXRPPESA-N	361.441	4.651	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1	812248859	SQTMFSRPALCZMN-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]nc1-c1c(F)cccc1F	812763809	WQHAAYYZHZLCMZ-UHFFFAOYSA-N	370.403	4.544	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnc2c(F)ccc(F)c2c1	816782076	JEJGIRCPIRYECE-UHFFFAOYSA-N	355.388	4.702	50	20	FJGD	
CCn1c(SCCO[Si](C)(C)C(C)(C)C)nnc1-c1ccco1	821046880	DUBMCXCMWUMRGY-UHFFFAOYSA-N	353.564	4.672	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(-c2ccco2)nc2ccccc12	912646176	FLBPQIMIACZERV-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3cccc(Cl)c3)o2)cc1	1326073456	YSFVNLLYZMWBTE-GDNBJRDFSA-N	351.793	4.853	50	20	FJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC(C(C)(C)C)CC3)sc2n1	7916347	GWBOHQUIMXRWFT-UHFFFAOYSA-N	372.538	4.817	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	35087324	ZMUNDAVSDPQTNP-WJDWOHSUSA-N	360.413	4.674	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	160724256	BLJLWWKDFDAFIC-VQTJNVASSA-N	367.493	4.531	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](Nc2ccccc2)C1	163976435	VUZOBMYRTJSJBZ-ZWKOTPCHSA-N	364.580	4.804	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CSC(F)F)o2)c(C)c1	211538113	RSBQJKWPVSRBHQ-JYRVWZFOSA-N	362.401	4.898	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	212115964	HVZBIEYEDQKEMU-RAXLEYEMSA-N	360.385	4.556	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1F	212605247	FAVJMSJQNUKUBH-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
C[C@H]1CCN2C(=O)N(c3cccc(S(F)(F)(F)(F)F)c3)C(=O)[C@@H]2C1	277935060	DRGWLRQCEUUXKW-CABZTGNLSA-N	370.343	4.911	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNC(=O)CC(C)(C)C	728428869	KZUPLGWBIAIHDU-UHFFFAOYSA-N	374.488	4.734	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1c(Cl)cccc1Cl	746704809	KIHYJSGZUSDUMM-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1ccccc1Cl	748319028	WNCPTSDDNGNBMJ-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
O=C(Cc1ccc(-c2ccccc2)cc1)NNc1cccc2cnccc12	748762877	FASYXHDKYHJFBW-UHFFFAOYSA-N	353.425	4.588	50	20	FJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC(c2cc3ccccc3[nH]2)CC1	750041439	PFJIVLCOOJZXTA-AFPJDJCSSA-N	372.428	4.820	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(OC2CCC2)cc1	767395704	IATWAXFEUBPILV-UHFFFAOYSA-N	369.223	4.821	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(Oc3cccnc3)c(C)c2)ncn1	773148813	HQKBRZNNQHDNNR-CXUHLZMHSA-N	360.442	4.758	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccc(OC)c3ccccc23)ccc1[N+](=O)[O-]	774562399	UUKFGWJXZPOPOE-LFIBNONCSA-N	360.369	4.829	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2cnc3c(C)cc(Br)cn23)sc1C	783711179	UZTLYHZKDKDAMA-LFYBBSHMSA-N	373.279	4.543	50	20	FJGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccc(Cl)cc1F	787509740	BBSWSJVGYALRIM-CECLQJIQSA-N	372.827	4.605	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3ccc(Cl)s3)sc2c1	788687463	GJGNVIIUTOZHLL-TWGQIWQCSA-N	360.847	4.810	50	20	FJGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1c(C)cc(C)cc1C	806961191	LYXQPTNTSVLEAL-UHFFFAOYSA-N	364.445	4.555	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1csc2ccccc12	812022747	PRLZJZZJXQCJHC-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	812239769	DLVFSXVEYZYRQJ-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
CC(C)CC(=O)Nc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cc1F	837054817	WXQSNLLGWMGEFZ-UHFFFAOYSA-N	371.456	4.691	50	20	FJGD	
CS(C)(=O)=Nc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	848127183	RHFHQKUKGJBVJE-HNNXBMFYSA-N	372.581	4.698	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3cccn3C)o2)c(C)n1CCC(C)C	1324065263	GQCLNTDUFIWHQU-PDGQHHTCSA-N	363.465	4.604	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccccc3)s2)c(C)c1	171157670	DOWSIANRFFHMGQ-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
COCCOc1cccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)c1	193444515	JJYSHUMAPKSJFV-RVDMUPIBSA-N	369.371	4.521	50	20	FJGD	
C[C@H](CCO)CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297109395	HELHAZIYJJSQTH-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCC2(CC#N)CC2)c1C	744278570	JDSXNNUGQWTRHR-DEDYPNTBSA-N	373.456	4.547	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(F)(F)C(F)F)c(C)n1CCC(C)C	744565682	MMSFJUKJYAXYLB-OVCLIPMQSA-N	374.378	4.502	50	20	FJGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1ccc(Cl)cc1Cl	748018942	SCFYYVBUKNFIPU-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	751689176	MEXPXHLFKIHXBG-UYRXBGFRSA-N	373.431	4.620	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F	752142107	IBRWYRCKNFTEQL-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3c(F)cccc3F)c2c1	752805543	ITOBWFFZZJZRIX-UHFFFAOYSA-N	367.399	4.764	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(F)cc1Cl	753174223	PBMWPHKVKKNAKT-UHFFFAOYSA-N	371.637	4.561	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cccc2[nH]c(-c3cccs3)nc12	758798613	GMDYVZRKPJOCGK-UHFFFAOYSA-N	368.849	4.702	50	20	FJGD	
Cn1c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)ccc1[N+](=O)[O-]	762518156	LOPSMGFDUZGYEE-UHFFFAOYSA-N	371.287	4.843	50	20	FJGD	
O=C(NN=Cc1ccc(F)cc1Br)c1cccc2ccccc12	767786633	WWKRNWIZEPTAEY-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)Nc1ccc(Cl)cc1	768467732	QUIOSAXYNCAFLJ-LDADJPATSA-N	359.816	4.948	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)ccc1SC	773154805	NEUWDADUQKCRND-NTUHNPAUSA-N	361.825	4.999	50	20	FJGD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)CCCC[C@@H]2CCSS2)c1	775823918	YZNGVMJKUAKUNI-SQNIBIBYSA-N	365.564	4.772	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3cc(F)cc(Cl)c3)nc(O)c2c1C	776722631	VBMDBPXPTOWAHB-QDEBKDIKSA-N	359.813	4.870	50	20	FJGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1c(F)cccc1Cl	777820404	GUEKWUXZNYIHQI-UHFFFAOYSA-N	366.795	4.505	50	20	FJGD	
N#C/C(=C/c1cccn1Cc1ccccc1C#N)C(=O)c1cccc(Cl)c1	782197684	VRIXCYXKCYNSSZ-UNOMPAQXSA-N	371.827	4.851	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(Cl)cc(Cl)c3)on2)cc1	791714868	ZNPBKBOIRPDCRI-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(-c2cnn(C)c2)c1	801648561	VKIAAPSAELPIBR-WOJGMQOQSA-N	367.412	4.510	50	20	FJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(C(C)C)cc2)c1	837052482	GAYXPUBLCWEDLK-UHFFFAOYSA-N	361.283	4.946	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H]2NCC[C@@H]2C1	841191130	VRPWWNYVFSGUNI-ZWNOBZJWSA-N	371.375	4.560	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3cnccc23)c(C)n1CC(C)C	875862992	AWXZKXIBRTZVFB-RGVLZGJSSA-N	372.472	4.855	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCC1(c2ccc(F)cc2)CC1	915734054	BGHAQSQFUBSLRZ-INIZCTEOSA-N	353.528	4.688	50	20	FJGD	
CC(C)c1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	917547196	MUHMJGXOXIVFHK-UHFFFAOYSA-N	361.401	4.635	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)C1CCCCC1	1116299373	WULADUXCQUARFB-MDWZMJQESA-N	371.330	4.946	50	20	FJGD	
COc1ccc(-c2ncc(C(=O)NNc3ccc(C)c(Cl)c3)s2)cc1	1323252714	OKGDZARWFZEJAU-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/c2nc(C)c(C)s2)c1C	24697660	OCHZKNTWAZXORM-VQGSWFTOSA-N	372.494	4.581	50	20	FJGD	
O=C(NNc1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	181266065	PLASISGROHIZKM-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)Nc2ccccc2C)cccc1OCC	213083785	PZDDITFLRIUFMJ-JXAWBTAJSA-N	364.445	4.728	50	20	FJGD	
Cc1nnc([C@H](C)NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[nH]1	287008409	FUNXJLVWHMCZAB-ZETCQYMHSA-N	371.335	4.653	50	20	FJGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	727776583	BEFPEDUCFQTTPF-QGZVFWFLSA-N	372.472	4.857	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(Cl)c2)c1	731488382	FLLFENAWRDFOIV-JYRVWZFOSA-N	362.763	4.796	50	20	FJGD	
CCCOc1c(C=NNC(=O)[C@@H](CC)c2ccccc2)cccc1OCC	731931627	MAIHKEWXYKBNEV-IBGZPJMESA-N	368.477	4.518	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccncc2)c(C)n1CCC(C)C	735967607	HAHOKINLIGQBNG-LANLRWRYSA-N	365.477	4.757	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ncccc3C(F)(F)F)oc12	740101006	VCEMAUPQFPTVCL-UHFFFAOYSA-N	363.339	4.529	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(OCc2ccccc2)cc1	748753931	CFGUYIGBXKPIKM-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)C(=O)Nc1ccccc1F	761377882	WGOPKAQUGHNDIX-YFHOEESVSA-N	353.155	4.817	50	20	FJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	768046597	CUVQVOKXEVPUFO-SMDDNHRTSA-N	369.328	4.829	50	20	FJGD	
Cc1nc(-c2ccc([C@@H](C)NC[C@H](C)CBr)cc2)cs1	770664987	AVCVBLXZVPAHML-VXGBXAGGSA-N	353.329	4.800	50	20	FJGD	
O=C1N[C@H](CC2CC2)C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1	771859948	LHOBCFHKYVECJE-LLVKDONJSA-N	356.316	4.569	50	20	FJGD	
Cc1ccc(Nc2ccccc2C(=O)NNc2cc(Cl)ccn2)cc1	778446502	KZKGFLNTPLDAAA-UHFFFAOYSA-N	352.825	4.544	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)c1nc(-c2ccc(C)cc2)no1	787167559	DCESHNWNCUASPR-MIKCAUBTSA-N	372.384	4.964	50	20	FJGD	
C=C(CBr)CN1CCC[C@@H]1c1ccccc1Br	791472320	JNWNNXBYSWINKN-CQSZACIVSA-N	359.105	4.537	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc2nc(-c3ccccc3)oc2c1	792942788	PBAFUJIIJHQWSB-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)c1ccc(F)c2ccccc12	807902511	JKDNJSPVKXJMJE-GFCCVEGCSA-N	373.859	4.522	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1csc(-c2ccco2)n1	813105710	SLNUQJYYNWKBHJ-UHFFFAOYSA-N	370.478	4.661	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	913188165	KTSCAKIBTVGULR-UHFFFAOYSA-N	353.853	4.943	50	20	FJGD	
CC(=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)C(C)C	915907117	ADLDTFWCCUTXKU-UHFFFAOYSA-N	358.869	4.989	50	20	FJGD	
Cc1ccc(C(=O)O)cc1C(=O)/C=C\c1ccc(OCCCCl)cc1	1777436213	UQKBDADGPVQHNP-POHAHGRESA-N	358.821	4.597	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1	125245492	XTURIYHYMJXHJH-CYVLTUHYSA-N	370.456	4.744	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1(O)CCSCC1	183998757	SCOOWEURGHWOFP-UHFFFAOYSA-N	363.373	4.541	50	20	FJGD	
Cc1c(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cnn1C	184415833	HMXVNJGTNHNOAW-UHFFFAOYSA-N	370.347	4.708	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](c2c(F)cccc2F)C1	184947514	JDJPKITXZWOOOV-KGLIPLIRSA-N	371.518	4.995	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC	195089573	ZNCWXCUVKRXKMQ-MHWRWJLKSA-N	360.413	4.503	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)c2ccc(F)cc2)cccc1OCC	213513297	LOIBNAJMKXLEEH-LGMDPLHJSA-N	353.393	4.803	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	737444446	RIQFWKUXRGWPFW-BOPFTXTBSA-N	356.425	4.980	50	20	FJGD	
Cc1ccc2cccc(C(=O)NNc3ccnc4cc(Cl)ccc34)c2n1	741284460	QJCNMYILDCPWPN-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)/C(=C/C#N)c1ccc(F)cc1	750795148	NLBYSDBUXRPEHF-HQEIXYNQSA-N	350.437	4.790	50	20	FJGD	
Cc1csc(-c2ccc(NC(=O)NNc3ccccc3Cl)cc2)n1	769991752	GUSFIZWHWBAPGQ-UHFFFAOYSA-N	358.854	4.921	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(F)cc(C(F)(F)F)c2)n1	772796324	HJERSSIKRDWERR-XCVCLJGOSA-N	370.327	4.542	50	20	FJGD	
C=CCSc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	777166957	UZCINDTVDIHGEI-UHFFFAOYSA-N	368.380	4.620	50	20	FJGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc2ccccc2n1	777468364	YERCUDXPLWTHQZ-ZDUSSCGKSA-N	373.378	4.576	50	20	FJGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1Cl	783509391	MJIWJOCXCSTSON-MRVPVSSYSA-N	353.171	4.832	50	20	FJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)/C(C#N)=C\c3ccc(O)cc3)c2)o1	794095817	VXFOKJZSFGZHSH-WQRHYEAKSA-N	358.397	4.815	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)cc1Cl	794869113	GIXPZCVFTQCVJM-MDWZMJQESA-N	362.763	4.832	50	20	FJGD	
COc1cccc(C(=O)/C(=C/c2cccc(CCl)c2)c2ncc[nH]2)c1	799893528	ROAKINMIDZSINT-WQRHYEAKSA-N	352.821	4.581	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C)c1	810452272	JSMINFCGTXFYGY-UHFFFAOYSA-N	358.310	4.666	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cnn(CC(F)F)c3)n2)cc1	814182332	GUDZETPNOCMPCU-UUASQNMZSA-N	356.401	4.644	50	20	FJGD	
C[C@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)c1csnn1	839664441	YDAAXIJWKXADAF-AWEZNQCLSA-N	363.603	4.911	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)s1)c1ccc(O)cc1	873850376	AKODCBZWAAJMET-UHFFFAOYSA-N	356.834	4.538	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)c1	918714446	VTNGLHQOIPVMEE-MOSHPQCFSA-N	355.441	4.896	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1nc(-c2ccccc2)oc1C1CC1	1339891699	DNNDAYCPRJCBDF-UHFFFAOYSA-N	361.445	4.847	50	20	FJGD	
CCCCC/C(C=NNC(=O)c1ccc(C(=O)O)cc1)=C\c1ccccc1	1776098606	QPRJOHYUUXIFTN-NNQSBTTHSA-N	364.445	4.764	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc3oc(C(=O)O)cc3c2)c(C)c1	1776122302	ODIRFMABSIPWFX-RQZCQDPDSA-N	374.396	4.602	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2ccc(F)cc2)cc1F	113430387	GNJNKXPVYMONPM-UHFFFAOYSA-N	360.310	4.667	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC(F)F	120282436	YAEDKTGTAKJLSK-GXDHUFHOSA-N	369.371	4.638	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C3SCCCS3)cc2)c1	127480026	NYOJKRSTHUGALG-UHFFFAOYSA-N	358.532	4.929	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(-c3ncco3)c2)cc1	127936497	HRSYVTMBUVHUNC-ATVHPVEESA-N	373.412	4.594	50	20	FJGD	
Cc1ccccc1[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	151394503	KOBIZPDFODLPSS-AEFFLSMTSA-N	365.564	4.609	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2cc(-c3ccccc3)ccc2Cl)c1	156525245	WGSKISCGHSTHGL-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(C)(C)C)cc1	181153841	SWZPNYUGUPKPPC-UHFFFAOYSA-N	373.478	4.761	50	20	FJGD	
CN(CCCCCO)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	278804148	NCIXURUYLPZFSY-UHFFFAOYSA-N	362.364	4.970	50	20	FJGD	
CSc1ccsc1C(=O)NN(Cc1ccccc1)c1ccccc1	730446040	JUMLDHXDESAIGE-UHFFFAOYSA-N	354.500	4.822	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@H]3C)s2)cc1	734306254	NQEZPRHPGJAZMV-FOJINDKQSA-N	365.502	4.720	50	20	FJGD	
CC(C)(C)c1ccc2cc(C(=O)NNc3cc(F)c(F)cc3F)[nH]c2c1	734551835	BBKPOJLCAYKQDZ-UHFFFAOYSA-N	361.367	4.640	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cc(OC)c(O)c(OC)c2)CC1	741470774	VOORYBKONAKSOF-WQRHYEAKSA-N	371.477	4.882	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1	748018744	ISQFEDWXISVNGL-IUCAKERBSA-N	355.187	4.805	50	20	FJGD	
CCN1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1C	752972004	GLXSZWNILIIRMQ-LLVKDONJSA-N	373.391	4.902	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	755405430	ZPDIJRBZUKGZCV-XCVCLJGOSA-N	353.155	4.817	50	20	FJGD	
O=C(NN=Cc1cc(F)ccc1Br)c1cccc2ccccc12	761267961	XPVAOANTNVPQOY-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
Cc1ccc(-n2c(SC/C=C\C#N)nnc2-c2ccccc2F)cc1	763300130	XOFOOYAKKIERQI-PLNGDYQASA-N	350.422	4.554	50	20	FJGD	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H](Br)C(C)(C)C)C1	768197968	IKQAMMFEJUFOIX-DFBGVHRSSA-N	356.279	4.545	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1	773166357	XQQOOCZXPPALQH-ZSOIEALJSA-N	365.795	4.968	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1	777464355	JSXBOULSIFXHGN-QBFSEMIESA-N	371.362	4.800	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)N3CC=C(C#N)CC3)c3ccccc3n2)c(C)c1	780684992	KINDPEUTDQDXRB-UHFFFAOYSA-N	367.452	4.815	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)c1ccc2ncccc2c1	794884169	HAQRGQLJEVYRDS-LICLKQGHSA-N	364.351	4.669	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1c[nH]c2cc(Cl)ccc12	794936898	GWFBOAKRPHRLJW-WEVVVXLNSA-N	358.731	4.595	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@@H]1O	806422206	OKVCZIJVDJNHHF-SKDRFNHKSA-N	360.348	4.579	50	20	FJGD	
C/C(N)=C(/C#N)c1nc(-c2cc(C)n(CCc3cccs3)c2C)cs1	806552857	AHESKKNMWRSIMS-GHRIWEEISA-N	368.531	4.746	50	20	FJGD	
C[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(C(F)(F)F)cs1	808754073	ITIJEACRMBTJJZ-SNVBAGLBSA-N	354.514	4.834	50	20	FJGD	
ClCCCOc1ccc(CNCc2ccc(Br)cc2)cc1	811476136	PEMLSQSZXYNYAL-UHFFFAOYSA-N	368.702	4.747	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1cccc(Cl)c1	915986908	IHRZIOGYEXKXMC-OVCLIPMQSA-N	368.223	4.969	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(-c3ccccc3)cs2)cc1	917519805	WIXUFTLEQSAREE-WOJGMQOQSA-N	374.465	4.647	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1ccc(F)cc1Br	917549728	AWRQMUBIGUFNAH-NEPJUHHUSA-N	367.262	4.664	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1-c1ccccc1	1776046085	ABGJKKWPZMWDSO-UHFFFAOYSA-N	373.412	4.598	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H](CC2CCC2)C(=O)O)c1	1776270352	PDEHABRREUFXGI-GOSISDBHSA-N	363.574	4.804	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125738912	GKAOOKOMQVXOQF-UHFFFAOYSA-N	365.842	4.506	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1Sc1ccccc1	158133591	FSQUCORRUSWIDS-UHFFFAOYSA-N	356.397	4.873	50	20	FJGD	
CN1CCc2cc(/C=C(\C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21	178889150	QGSQMJIJESPCCL-YBFXNURJSA-N	368.465	4.738	50	20	FJGD	
C/C=C/C[C@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184637548	CDOCNXSDNJRFLH-KXMPLOMGSA-N	360.348	4.793	50	20	FJGD	
O=C(Cc1c(Cl)cccc1Cl)NNc1ccccc1C(F)(F)F	301217528	CXMOKYFSRFFTLG-UHFFFAOYSA-N	363.166	4.698	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)c1nnc2n1CCCCC2	588534465	CDOLBNCFNMIWHX-SDQBBNPISA-N	366.774	4.741	50	20	FJGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	588554915	ACYNIKFAYMTOIK-WQLSENKSSA-N	356.230	4.553	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1F	727654674	PYWBXYOXAFZRHH-WQLSENKSSA-N	363.219	4.988	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2c(-c3ccccc3)nn(C)c2Cl)sc1C	741472938	DAQVQNVZHILZAA-NTEUORMPSA-N	354.866	4.878	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2c(Cl)cccc2s1	748654371	LHHMQUPZXCXIGA-UHFFFAOYSA-N	368.792	4.913	50	20	FJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccc(Cl)cc3)c2)cc1	749271061	RRDAOMNUSHDLOP-UHFFFAOYSA-N	362.820	4.712	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1SCCc2ccccc21	749483462	VTKFRJHPSMALEX-WBVHZDCISA-N	367.605	4.847	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cnn(CC(C)C)c2-c2ccccc2)c1	760462379	DSJOOTQGCVZCDC-UHFFFAOYSA-N	362.477	4.580	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(C)cc(C)c2)cnn1-c1ccccc1C	760462704	HEYPOYGZTMJBOI-UHFFFAOYSA-N	362.477	4.507	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1	780952478	XOUPSZIUIKKQJY-UHFFFAOYSA-N	366.358	4.636	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(Cl)cc4c3OCC4)n2)cc1	782886832	HSZLUGKTHSPKHP-LZYBPNLTSA-N	363.804	4.698	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(COc2ccccc2)c1	787123583	BSNMNBKNKIXPRK-CPNJWEJPSA-N	370.408	4.517	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(C#N)c1)c1ccc(Cl)cc1Cl	787145045	OIYOUDUUVJVCLG-AZZDOICSSA-N	370.239	4.649	50	20	FJGD	
CC1(C)CN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	788560830	OTDKIYQVWAXEEU-LLVKDONJSA-N	352.809	4.780	50	20	FJGD	
COc1ccc(OC)c(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c1	810249822	AYJLRTKXHFEZLC-VZUCSPMQSA-N	368.742	4.835	50	20	FJGD	
N#C[C@H](C(=O)CCCC[C@@H]1CCSS1)c1cc(C(F)(F)F)ccn1	813211224	GIGODOVJOZEUJF-OLZOCXBDSA-N	374.453	4.991	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2scnc2C(C)C)c1C	836977358	JIIGRFVRAGETEU-CXUHLZMHSA-N	356.495	4.641	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1	912988787	DNSGCPKIEPWOFX-KGENOOAVSA-N	362.473	4.774	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3c(C(C)C)nn(C)c3Cl)n2)cc1	917621399	DBTHXFOHQFEXBJ-ZROIWOOFSA-N	367.840	4.620	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)cc1Br)c1ccccc1Cl	1322726403	RPQAGFTUQLFFFT-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CN(C)c1ncccc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	1326685768	ZRQUJOFKVYKCEG-XNTDXEJSSA-N	366.877	4.989	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCC(C)C)cc2)cc1	7168138	MTZGXTJCGHJNID-NBVRZTHBSA-N	364.445	4.666	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1cccc(Cl)c1	14180676	NZNMVJAGKQRRCM-KDMTZKAISA-N	367.832	4.688	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2[nH]1	20898818	IZJJVFHSOXJSKD-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
CC(C)CCO[C@@H](CBr)c1ccc(Br)cc1	71125328	RJSPVYXYDSRVGY-ZDUSSCGKSA-N	350.094	4.948	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(c2cccc(Cl)c2)CCC1	123047464	IOYAPMSEGFQRDW-UHFFFAOYSA-N	366.795	4.506	50	20	FJGD	
CC(C)(C)c1nc(CCNC(=O)CCCC[C@H]2CCSS2)cs1	155587251	JNIQMLQDJMUXNR-AWEZNQCLSA-N	372.625	4.813	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3cnn(C(C)C)c3nc2Cl)s1	170933495	UEEBYNQXJZEVAB-AWNIVKPZSA-N	370.865	4.825	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(-c2ccccn2)c1C	181322178	URCBBCFSEGONAI-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccn3)c2C)cc1	211370822	PMGUUYFEYVZQMF-ZHZULCJRSA-N	371.440	4.730	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(C)o3)n2)c1	212639836	ZKVULEICOMGOIC-DHDCSXOGSA-N	363.442	4.874	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccccn2)c1	588431014	IGEMOJGXGMOYJR-VBKFSLOCSA-N	359.360	4.559	50	20	FJGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)Nc1ccc(Oc2ccccc2)cc1	748439413	QEBGNWVQLPIKSI-WJDWOHSUSA-N	371.421	4.958	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1CCCOc2ccccc21	750338076	HJRJFEXGJQIOFM-AWEZNQCLSA-N	366.248	4.533	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cnn(-c2ccccc2F)c1	755597797	BKJGLVKUZBZKJO-AWEZNQCLSA-N	365.499	4.664	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc(Cl)s1	761385083	KJMNHYIDZWADHE-UITAMQMPSA-N	351.189	4.856	50	20	FJGD	
CC[C@H](O)CN(Cc1ccccc1)C(=O)CCCC[C@@H]1CCSS1	772566467	YJHZYOWXXHPOCX-ZWKOTPCHSA-N	367.580	4.500	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)c1ccc(OC(F)F)cc1	776720239	JRVPUQCKAVDFKU-LFYBBSHMSA-N	351.711	4.870	50	20	FJGD	
CC(C)(C)Sc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccn1	778936670	PYUBNZSFSZLTSU-UHFFFAOYSA-N	369.412	4.748	50	20	FJGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	799872559	URQFCLHCNBXZEO-HFGIQWQSSA-N	367.820	4.658	50	20	FJGD	
C[C@@H](Oc1ccccc1NC(=O)NNc1cccc(F)n1)c1ccccc1	806272180	BPSXUNXQDYPHQE-CQSZACIVSA-N	366.396	4.509	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1cccc(F)c1	811628194	QGZPUYHATVVEJU-WCIBSUBMSA-N	365.147	4.831	50	20	FJGD	
O=C(NNc1cccc(Cl)c1Cl)C1CCC(C(F)(F)F)CC1	838348937	LGTLDCCHTAEBGS-UHFFFAOYSA-N	355.187	4.805	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1CCCNCC1	841179709	QXIJHKRKWBQFDI-SNVBAGLBSA-N	359.364	4.608	50	20	FJGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccccc2Oc2ccccc2)C1	846460396	CHUNPQQPAJKTQW-FUHWJXTLSA-N	354.450	4.517	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cc(COC)cs1	849241443	GASLFRWNHKUKKD-YVLHZVERSA-N	354.475	4.565	50	20	FJGD	
FS(F)(F)(F)(F)c1ccc(NCc2cnc3n2CCOC3)cc1	905412373	AQFYDGFAPRSINS-UHFFFAOYSA-N	355.332	4.683	50	20	FJGD	
O=C(Nc1ccc(F)c(F)c1F)NN(Cc1ccccc1)c1ccccc1	915306009	VSPQCTYATUPEEC-UHFFFAOYSA-N	371.362	4.847	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2cc(C)ccc2C)cc1OCCC	916549786	JCHGPLSZUFGAAB-UHFFFAOYSA-N	356.466	4.638	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C)on3)c2C)c(C)c1	8056190	QQOHNCZASSDUSM-YBFXNURJSA-N	374.444	4.553	50	20	FJGD	
CCN(Cc1ccc(OC)cc1)C(=O)CCCC[C@H]1CCSS1	45398594	KEYGGGVAZLARFP-KRWDZBQOSA-N	353.553	4.758	50	20	FJGD	
Cc1coc(-c2cc(NC(=O)NNc3ccccc3Cl)ccc2C)n1	92929852	FHRZKECMOMYBAR-UHFFFAOYSA-N	356.813	4.760	50	20	FJGD	
CCC(CC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192806560	OKEHOWWRULSNAA-UHFFFAOYSA-N	360.348	4.587	50	20	FJGD	
Cn1cncc1CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	193819500	FQVCQCPLWIITMO-UHFFFAOYSA-N	355.332	4.649	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1F	195502099	QUUYOHPXNRBWHY-DHZHZOJOSA-N	365.191	4.687	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccncc2)c(C)n1C1CCCCC1	726385235	YPTHLZDBCMCCIS-DEDYPNTBSA-N	363.461	4.656	50	20	FJGD	
CCOc1cccc2cc(C(C)=NNC(=O)c3cccc4ncccc34)oc12	730146343	RQEWVIGPTHGMBM-UHFFFAOYSA-N	373.412	4.534	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cc2ccccc2nc1Cl)c1ccccc1	731931511	JJMJZYFFTYLNCA-KRWDZBQOSA-N	351.837	4.532	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1ccc(-c2ccccc2F)o1)c1ccccc1	731932048	XFNFMGJQUWBKIR-QGZVFWFLSA-N	350.393	4.730	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2c(Cl)c(Cl)ccc2[nH]1	734552744	NLGNGWBABCNZDF-UHFFFAOYSA-N	374.149	4.649	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)c(C)c2)cc1	741723529	XAAQSNXDJKGXIC-QGOAFFKASA-N	364.445	4.727	50	20	FJGD	
Cn1cc(C(=O)NNc2cc(Cl)ccc2Cl)c(C2CCCCC2)n1	748510432	FMWOTKKBLQIDTC-UHFFFAOYSA-N	367.280	4.532	50	20	FJGD	
C=CC[C@@H](CO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752974120	AEOIRLLDRIYLQB-SNVBAGLBSA-N	360.348	4.650	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cc([N+](=O)[O-])ccc1Cl	756989572	BPDHLSYDQILVEU-ZDUSSCGKSA-N	374.915	4.579	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Cl)c2cccnc12	763617503	MANGIYYGSVNZLW-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C)cc1OC	782230680	CWBRJGHZJAUHCS-UHFFFAOYSA-N	354.475	4.954	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(COc2ccc(Cl)nc2)CC1	789314615	BVLMAWWOIIPYII-GXHLCREISA-N	371.843	4.530	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccccc1SC[C@@H](C)C#N	799399030	ZEVDLMCYJBFEOA-AWEZNQCLSA-N	368.506	4.958	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Br)c1)c1cc(C(F)(F)F)ccn1	812248390	LHRADBBKSGLUEO-BJMVGYQFSA-N	369.140	4.633	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2c(C)cccc2C(C)C)c1C1CC1	812765568	MZVWDRIAEIUQRQ-HNNXBMFYSA-N	354.498	4.920	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(Cl)c(F)cc1Cl	816172880	IJHDYGAQOSVFSA-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2c(C)cccc2Cl)cc1	836934263	RJVDQULTUUPDQM-UHFFFAOYSA-N	374.868	4.543	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2	856465067	VKVUCFQHMGMXHW-JKOKRWQUSA-N	371.371	4.577	50	20	FJGD	
C[C@@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)c(F)c1	1253941845	KMEJLCKLDHKWOK-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(CC)CC)cc2)cc1	6287840	ZONQJYCFGNUCNQ-UHFFFAOYSA-N	354.450	4.570	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)c1ccccc1F	25198988	KDJDMINIXTVXBC-GHRIWEEISA-N	358.372	4.590	50	20	FJGD	
Cc1nscc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	183031773	LLQAVRWFQYPIEK-GFCCVEGCSA-N	366.817	4.923	50	20	FJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccc(Cl)cc1	192747166	MOBCLZZBSSBRDR-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccccc2OCc2ccccn2)nc2ccccc21	210113209	DKZBKKBAUWXARC-JXAWBTAJSA-N	366.424	4.611	50	20	FJGD	
CC(=O)Nc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1C	247916885	FYNLTIULCWJVRM-AWEZNQCLSA-N	352.525	4.606	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)ccc1SC	255117260	KTOFMNCPQZWOJF-QPEQYQDCSA-N	366.417	4.827	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(Cl)cc1F	588424753	JKVMCFICWGBDRQ-YHYXMXQVSA-N	365.147	4.831	50	20	FJGD	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)c1cccc(C)c1C	727655145	PESPZRYSSGUPKF-OQLLNIDSSA-N	370.246	4.864	50	20	FJGD	
C#Cc1ccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)nc1	728805925	KTOZMGRUVXKXOJ-HNNXBMFYSA-N	370.783	4.535	50	20	FJGD	
CCc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)s1	731157649	YIRVRNGCAVYQNX-PKNBQFBNSA-N	367.499	4.964	50	20	FJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)S(=O)(=O)c1ccc(Cl)cc1	741852902	QCQURCXTNDEXEB-CXUHLZMHSA-N	361.781	4.564	50	20	FJGD	
CO[C@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	742090659	IEYHPSCLWRDKOC-HZPDHXFCSA-N	373.971	4.858	50	20	FJGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NNc1cccc2cnccc12	748759358	OZBLCQHPUPJAQG-FQEVSTJZSA-N	365.502	4.636	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1	756746216	UPAGDDOTBUROFJ-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1cc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)s1	760232607	GZSFRFHDQVKKOA-UHFFFAOYSA-N	355.488	4.561	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3c(F)cccc3Cl)o2)cc1	770191840	ZAJZUOAQMKSKKY-UHFFFAOYSA-N	372.783	4.699	50	20	FJGD	
CCC(CC)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1cccs1	787138964	OUZZNJCPYURSBN-BAILOTOSSA-N	354.475	4.654	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2Cl)cc1	787168606	KQOJSGAVUCKDQE-WJDWOHSUSA-N	353.805	4.781	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)c1cc2ccccc2s1	788361825	FVLFLSBWAMJQOC-LCYFTJDESA-N	363.829	4.992	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccc(C(F)(F)F)cc3)cc2c1	810666866	WBXCPKBOLITLLT-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CC2(F)F)c(C)n1C1CCCCC1	816421500	PNAVSWJQMWNAMH-JDZKTDJGSA-N	362.420	4.716	50	20	FJGD	
C[C@]1(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)C[C@H]1Br	851856704	ZKPNMZRMOLVYMM-IXDOHACOSA-N	365.702	4.588	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCCc3occc32)c1C	913090872	WDDSGLFSBCBTSJ-LVSKKATPSA-N	365.477	4.599	50	20	FJGD	
CC(C)COc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	913187676	JISHQRHXDNKZKA-UHFFFAOYSA-N	369.852	4.680	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCCCOC(C)C)s2)cc1	920481250	YBRUECIMIOZDQY-QGOAFFKASA-N	368.502	4.562	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)CC2CCC(c3ccccc3)CC2)nn1	1323002053	SMPOKJCEJMGJGR-UHFFFAOYSA-N	366.509	4.581	50	20	FJGD	
Cn1c(/C(C#N)=C/c2cc(Br)ccc2F)nc2ccccc21	6210062	CRTZJZUQUCCXHL-XYOKQWHBSA-N	356.198	4.539	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(N2CCCCC2)nc1	25442650	OBHOFTFKRHYSNY-INIZCTEOSA-N	365.568	4.725	50	20	FJGD	
CCOC(=O)/C(C#N)=C/N[C@@H](c1ccc(C(C)C)cc1)c1cccs1	28807099	RABGRZIBAQADLN-UMEYKSNOSA-N	354.475	4.521	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccccc1COc1ccccc1	120366539	WHCDCTZBOBRPLM-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)o1	176856404	IUXBPEGJFXHMMV-CSKARUKUSA-N	364.184	4.553	50	20	FJGD	
Cc1ccc2ncc(/C=C(\C#N)c3nc(-c4ccc(C#N)cc4)cs3)n2c1	178767804	KGDGCMJZJUUUGD-CAOOACKPSA-N	367.437	4.702	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)N[C@H]1CC=CCC1	183525871	UGARMJSZGMHJKF-JTQLQIEISA-N	370.343	4.507	50	20	FJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1C	730439147	AFIFSFHCNUUYBO-JYRVWZFOSA-N	363.280	4.739	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1OCC	732716275	MTWWYUBWFQZKHJ-NBVRZTHBSA-N	370.493	4.572	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(OC(F)F)cc2)cc1	734729127	MLJRHFIXFKAQEJ-RQNDZEIBSA-N	357.356	4.808	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CC=CCC2)c(C)n1C1CCCCC1	736055327	QNFVPWNEIAQNBK-SSUIOBEFSA-N	351.494	4.742	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1	748561330	FMIFSCIVAXJHFI-UHFFFAOYSA-N	374.419	4.538	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1cc(Cl)ccc1Cl	748994770	SRENZEVVGDBVFF-BJMVGYQFSA-N	352.608	4.587	50	20	FJGD	
C[C@H](C=NNC(=O)c1cc2ccccc2o1)c1cccc(Br)c1	749817187	BRZIVDYBTZZVFG-GFCCVEGCSA-N	371.234	4.715	50	20	FJGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2C2CC2)c1	751131225	NDFXRTHNYSGGSX-UHFFFAOYSA-N	350.462	4.525	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cn(C(C)(C)C)nc1-c1cccc(OC)c1	759641261	CUVUBSJCZLJLSW-QJISPJEISA-N	365.477	4.836	50	20	FJGD	
N#C/C(=C/c1cncc(Br)c1)c1nc2cc(F)ccc2s1	767352685	ZBRAXFTWADRYFI-KMKOMSMNSA-N	360.211	4.657	50	20	FJGD	
CC(C)c1nc2ccc(NC(=O)NNc3ncccc3Cl)cc2s1	769983669	OIOVGCGNDVXRNM-UHFFFAOYSA-N	361.858	4.617	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	785037131	HEHMNLCAAHLZPI-CDCQXCROSA-N	362.326	4.629	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2SC)cc1	799741582	PCJULIFXSDNXGO-XOAFGZPJSA-N	366.486	4.592	50	20	FJGD	
N#Cc1ccc(NC2CC2)c(NC(=O)CCCC[C@H]2CCSS2)c1	803320357	RPDVEXGUXGQECU-HNNXBMFYSA-N	361.536	4.785	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3cccc(C(F)(F)F)c3)cc2c1	810042346	QLRDQBXMLVDJLY-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
N#C/C(=C/c1ccc(Br)s1)c1cc(C(F)(F)F)ccn1	812248137	FGAXULOOWSYDIK-YVMONPNESA-N	359.170	4.989	50	20	FJGD	
Cc1cccc(O)c1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	813506409	WCWHWZLSGCIMPX-XDHOZWIPSA-N	365.477	4.711	50	20	FJGD	
CC1(N)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	841190486	PQKAFOHVOFZTHN-UHFFFAOYSA-N	359.364	4.689	50	20	FJGD	
CCCCC/C(C=NNC(=O)Cc1csc(C)n1)=C\c1ccccc1	916320331	PLODZKRNDMYFGZ-JCGKYXHSSA-N	355.507	4.760	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1c(F)cccc1Cl	916984537	HEKFKTZZOYMRLC-UHFFFAOYSA-N	363.698	4.526	50	20	FJGD	
COc1cc(C)ccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	919653663	SCVWNBWRTROLBF-UHFFFAOYSA-N	361.445	4.747	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)s2)c1	1317706434	DBJMLKLMRIJJJR-VBKFSLOCSA-N	360.438	4.969	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2ccccn2)cc1[N+](=O)[O-]	5128575	UTUJXGDXABGTNE-GHRIWEEISA-N	356.385	4.822	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc2c1OCO2	7211536	YKMAWAQJIBGSRV-CXUHLZMHSA-N	363.413	4.511	50	20	FJGD	
CN(CCn1cccn1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192260729	ZJJZEMKUWRMRDH-UHFFFAOYSA-N	370.347	4.704	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	726430219	QKLMZZNODXBCMZ-SYERDGIWSA-N	370.456	4.516	50	20	FJGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1)c1cc2ccccc2cc1O	735608417	ABHTWVOMHPPSEV-IBGZPJMESA-N	358.441	4.674	50	20	FJGD	
Cc1c(C(=O)NNc2ncccc2C(F)(F)F)sc2cccc(F)c12	740090951	BKTVYZBXWAQKNK-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ncccc2C(F)(F)F)cc1	740101098	XTIGINORCNMLID-ZDUSSCGKSA-N	365.399	4.861	50	20	FJGD	
Cn1cc(-c2cccc(C(=O)NN(c3ccccc3)c3ccccc3)c2)cn1	741511963	ZFAQEYUCMNAKJK-UHFFFAOYSA-N	368.440	4.570	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@H]1CCCC[C@H]1C	748672388	GFRAWZXRBYJMGR-KDOFPFPSSA-N	360.523	4.918	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cnc1Cl	760213164	WWEICVALYRCJTL-SDQBBNPISA-N	365.742	4.608	50	20	FJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)N(CC(F)(F)F)C1CC1	761206726	VMPJWUMPRSYSHK-JXMROGBWSA-N	368.742	4.546	50	20	FJGD	
O=C(NN=Cc1csc(Cl)c1Cl)c1ccc(Cl)cc1F	761810086	LUQBBCFEVWDBBK-UHFFFAOYSA-N	351.617	4.611	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1COc2ccc(Cl)cc21	762192434	RMJDVDYGQNJPHP-GXTWGEPZSA-N	357.928	4.604	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)CCC#N	765995681	XNEHBRLIZHCCIQ-OAHLLOKOSA-N	369.852	4.574	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3c(C)cccc3F)o2)c(C)c1	771692559	DVVIKRIYGTZCIR-UHFFFAOYSA-N	368.408	4.680	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1F	779750555	APAOQDVCKKRBGD-YVLHZVERSA-N	352.409	4.695	50	20	FJGD	
CCOc1ccc([C@H]2CCCN2C(=O)[C@@H](Br)C(C)(C)C)cc1	781071194	TXASYHNVCQFTOQ-HZPDHXFCSA-N	368.315	4.558	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1ccccc1C(F)(F)F	782306963	RPKFFLQRKXIKSZ-YRNVUSSQSA-N	363.364	4.585	50	20	FJGD	
Cc1ccc2nc(/C=C(\C#N)c3nc4cc(Cl)ccc4s3)cn2c1	789127290	IQALFKGAHLODKB-WUXMJOGZSA-N	350.834	4.970	50	20	FJGD	
COc1cc(NNC(=O)c2cccc(Oc3ccccc3)c2)ccc1Cl	790178339	ZTARQPYRLMZJGI-UHFFFAOYSA-N	368.820	4.898	50	20	FJGD	
C[C@H](NCCO[Si](C)(C)C(C)(C)C)c1ccc(Br)cn1	808755953	RDWHCXXTJPSCPZ-LBPRGKRZSA-N	359.384	4.517	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(CC(C)C)c1C(F)F	812770458	QPTKMRLYYFVPTJ-UHFFFAOYSA-N	364.440	4.665	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2coc(-c3ccc(C)cc3)n2)cc1	913228932	SMHXLGJMJLFTPH-ODLFYWEKSA-N	358.397	4.609	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OCc2cccs2)c(OC)c1	917600971	JORWCQVCWDLVNM-LFIBNONCSA-N	371.458	4.586	50	20	FJGD	
c1ccc(-c2nnc(-c3nnc(CCCC[C@H]4CCSS4)o3)o2)cc1	1326514544	SKHBCTJOUQMNPR-ZDUSSCGKSA-N	374.491	4.653	50	20	FJGD	
CCCCOc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1	1967192	JWICOZHFMAMVHI-XMHGGMMESA-N	355.459	4.512	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nc(C(F)(F)F)cs3)s2)o1	180343403	XCBURNHIHWCHFF-UHFFFAOYSA-N	373.381	4.549	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1F	731488890	UAWWMFUANCOHGQ-MDWZMJQESA-N	362.376	4.995	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccc(Cl)cn2)c1C	736479514	QNNGVNUDEILAHE-GZTJUZNOSA-N	370.884	4.523	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C	741473344	HHXCTWSUVUAGKM-AWNIVKPZSA-N	368.443	4.856	50	20	FJGD	
CN(N=Cc1cc(Cl)ccc1OC1CCCC1)C(=O)OC(C)(C)C	743436368	VMDXHUSUSWKNHN-UHFFFAOYSA-N	352.862	4.862	50	20	FJGD	
CC(C)CC[C@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745256564	IMIVLDMNGXLAIK-INIZCTEOSA-N	368.481	4.514	50	20	FJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1cc(C)cc(C)c1	748351702	CRXLNCKCRPKUIJ-UHFFFAOYSA-N	364.367	4.644	50	20	FJGD	
COc1c(Cl)cc(NC(=O)NNc2c(C)cccc2F)cc1Cl	771134095	HUANTGYMFFUIFE-UHFFFAOYSA-N	358.200	4.598	50	20	FJGD	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)c(C(F)(F)F)c1	773146018	VQDKOCODAFGFLI-KPKJPENVSA-N	364.254	4.543	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)ncn1	773177333	VIGWECZNSRZDIF-WQRHYEAKSA-N	359.454	4.842	50	20	FJGD	
COC(=O)c1coc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	774117811	GPIDEDDHXMDLBM-WUXMJOGZSA-N	370.817	4.907	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)ccc1[N+](=O)[O-]	774558610	LPCKENCVPPUUMC-PDGQHHTCSA-N	358.401	4.770	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	776724982	BGCSWKBDZFQKRJ-JXMROGBWSA-N	358.182	4.573	50	20	FJGD	
CC1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	782979438	MZXZHXLWNKOQND-UHFFFAOYSA-N	365.389	4.955	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[C@H]1CCCOC1	789147204	GORLMSSWGXIKLB-IZILLXMLSA-N	351.833	4.910	50	20	FJGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12	790214281	GNAIOROKCJRXIZ-GXDHUFHOSA-N	372.815	4.797	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	799756635	HUCIKQPTNGQHHC-INIZCTEOSA-N	350.384	4.737	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(C)C)nc2C)cc1	815180213	DHTPTLZVOXYUED-XDHOZWIPSA-N	364.445	4.563	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](Cc1ccccc1)OC	839235863	NALZBWYRSWGSTN-IBGZPJMESA-N	368.502	4.581	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1CN	841189783	JHCHNGHFQHLMRY-GHMZBOCLSA-N	373.391	4.793	50	20	FJGD	
CCCCCC/C(C=NNC(=O)c1sc(N)nc1C)=C\c1ccccc1	874124031	MYKZXULTZOFXOY-CETTVKAVSA-N	370.522	4.803	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)cc1	915982535	IJOZOCBWCHPXTR-JYRVWZFOSA-N	362.763	4.796	50	20	FJGD	
CCCCCCC(C)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	917572927	XNPMYAPPTVBKKN-UHFFFAOYSA-N	365.692	4.700	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1C(=O)O	1777287486	YHVCNAGJEIYGGF-OQLLNIDSSA-N	362.410	4.581	50	20	FJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1ccccc1Br	127945096	IAWDAIKRENIDRA-RAXLEYEMSA-N	367.202	4.741	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)C3CCCCC3)c(Cl)nc21	128888718	BPSQMYZWYYRXPB-NVNXTCNLSA-N	356.857	4.722	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)NNc3ccc4ccccc4n3)c2)oc1C	158156993	MOSDOOYTEMJXJU-UHFFFAOYSA-N	373.416	4.655	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1OCC	727654766	KRKUNCXZSUJWOX-CPNJWEJPSA-N	359.425	4.504	50	20	FJGD	
CC(C)(C)OC(=O)NN=C1CCCc2nc(-c3ccc(F)cc3)sc21	727683712	LBQVGTPLQBNHNG-UHFFFAOYSA-N	361.442	4.514	50	20	FJGD	
Cc1cccc2sc(C(=O)NN=c3cc[nH]c4ccccc34)c(Cl)c12	730288764	ZLJSCCDVQQUOCZ-UHFFFAOYSA-N	367.861	4.590	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccc(Br)cc1)C1CCC1	734272423	DQWWEFHVRQQJNZ-QGZVFWFLSA-N	374.282	4.617	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)cc1	742346525	MCHDYPSCNLRCHV-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nc(-c3ccccc3C)no2)cc1	746060767	YSTIZUAQAANFHT-JIHKLPAASA-N	373.412	4.565	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(F)c2)cc1	747086831	CLFOYJQZXVEEGH-FMNVXAMXSA-N	352.409	4.893	50	20	FJGD	
CCC[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccccn1	752960846	YUTMPMXBXSVKGI-AWEZNQCLSA-N	353.253	4.556	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(/C#N)C(=O)c1ccccc1	755030370	AAMFOVXBOOLWHJ-ZROIWOOFSA-N	358.260	4.961	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl	761392892	QDUQCZONMAHWTK-RIYZIHGNSA-N	353.784	4.513	50	20	FJGD	
Oc1nc([C@H]2CC[C@H](Br)C2)nc2sc3c(c12)CCCCC3	765983820	YKQMGMNBEIVBLU-UWVGGRQHSA-N	367.312	4.697	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc1Br	767886922	OOWCWJWIGDHRMG-OQLLNIDSSA-N	366.218	4.872	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2c(F)cccc2Cl)nn1-c1ccccc1	770198229	NASOLCOEMIZWJM-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ncc(Cl)cc1Cl	775272356	DDPBYBYIYXHTIE-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1cccc(Cl)c1	780153357	NJJGOOSGCWQALS-IUXPMGMMSA-N	365.795	4.514	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(SC(F)F)cc2)n1	781549996	YRVWHQLKIJPRIL-XFFZJAGNSA-N	366.414	4.699	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1OCC	783686860	AZIKJPOMJRRDPA-GXDHUFHOSA-N	371.845	4.602	50	20	FJGD	
CC[C@H](CC#N)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	787089127	BMUORFDGUSQNDN-MTGKDYNDSA-N	353.466	4.753	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788360609	LSCXTSLSQJTXGP-UXBLZVDNSA-N	362.241	4.731	50	20	FJGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1	788422551	HIIRWCBIWHJFNS-WDEREUQCSA-N	369.273	4.670	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)no3)sc2c1	788687207	DOKQJBODNDUVIJ-ZROIWOOFSA-N	374.425	4.728	50	20	FJGD	
ClCCCOc1ccc(CNC[C@H]2CCCO[C@@H]2c2ccccc2)cc1	811475439	FOFHKLYVYMVJPR-IFMALSPDSA-N	373.924	4.952	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cscc3C(F)(F)F)cc2C1	811634892	FMUJWLIENNGBMT-VIFPVBQESA-N	372.437	4.717	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2ccc(OCCCCl)cc2)ccc1[N+](=O)[O-]	811693486	JJJHPLOKVIOVCJ-SFQUDFHCSA-N	356.809	4.975	50	20	FJGD	
COc1ccccc1-c1cc(C(=O)NNc2c(C)cccc2C(C)C)no1	812767771	STEGBIPHHWBESJ-UHFFFAOYSA-N	365.433	4.539	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Br)cc2Cl)ccn1C(C)C	815855686	DMBOSSHXQDZWHX-UHFFFAOYSA-N	370.678	4.550	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cnc2c(F)ccc(F)c2c1	816472706	OKTHODDSQUTSKL-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
CCOc1ccc(NNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1	817911194	MQPFSRDWCZVAKY-UHFFFAOYSA-N	361.854	4.552	50	20	FJGD	
Cc1cccc(NNC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	912634543	DCPDRTLOJGTBBP-DEDYPNTBSA-N	364.493	4.510	50	20	FJGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	917621290	PBBNHUHFHWDHTC-GDNBJRDFSA-N	360.800	4.623	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc([C@H]3CCCCO3)o2)c(C)n1CCC(C)C	1326123940	QVMRMBVXQKTXJH-XLXASQRYSA-N	368.481	4.840	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CC[C@@H](C#N)C2)c(C)n1C1CCCCC1	1516748572	FDTAHEAZTVYLRH-XLXSYFGZSA-N	365.477	4.753	50	20	FJGD	
N#C/C(=C/c1c(F)cc(C(=O)O)cc1F)c1nc(-c2ccccc2)cs1	1777565706	MYJAGHBWBZTNGX-MLPAPPSSSA-N	368.364	4.851	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1OC(F)F	105605034	RTQJBGXMAQHVQS-LCYFTJDESA-N	363.385	4.847	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	171044687	SPCWXWISJSMDPT-RUDMXATFSA-N	371.145	4.956	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)c(OC)c1	175622167	UKAYYLSARBLOKL-UHFFFAOYSA-N	370.474	4.654	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cc(F)ccc1F	175636884	KTUXTPQZBIVXMU-UHFFFAOYSA-N	360.429	4.844	50	20	FJGD	
O=C(NC[C@@H]1CC[C@H](O)C1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261302	SPUUZOHFXLTCQL-KOLCDFICSA-N	360.348	4.627	50	20	FJGD	
CC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193051642	ZWGCFVGAPLFREH-SECBINFHSA-N	360.348	4.539	50	20	FJGD	
Cc1cccc(OCCN(C)C(=O)CCCC[C@@H]2CCSS2)c1	302840350	AFAZIRDWWBIOHA-QGZVFWFLSA-N	353.553	4.546	50	20	FJGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1ccccc1C(F)(F)F	727726133	WEKLKHHSJYGCKK-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c2c(c1)C[C@H](C)O2	728439822	GHOHHNAIZQISJB-WZCGUGGKSA-N	372.424	4.598	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(F)ccc12	739426024	SASPTPJDCOMOOL-WZUFQYTHSA-N	369.739	4.658	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(OCC(F)F)cc3)n2)cc1	741848518	NTQLZUQLFJYGLB-YBEGLDIGSA-N	367.355	4.753	50	20	FJGD	
Cc1ccncc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	741897681	UQWLMUHUOGGZNW-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2c(ccc3ccccc32)[nH]1	746695780	QIDNLOOACMIPJX-UHFFFAOYSA-N	353.784	4.871	50	20	FJGD	
CCOc1cccc2cc(C(C)=NNC(=O)c3cccc4cccnc34)oc12	747355957	IKJDJNHPQCKBMV-UHFFFAOYSA-N	373.412	4.534	50	20	FJGD	
COc1ccccc1/C(C)=C\C(=O)NNc1ccc(Cl)cc1Cl	748008142	FSEAVWMIUHKFFP-LUAWRHEFSA-N	351.233	4.549	50	20	FJGD	
Cc1ccc(-c2ocnc2C(=O)NNc2cc(Cl)ccc2Cl)cc1	752809460	CVTYZQZKJLQCEF-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1C	773143179	OROQBUUKMSZRDL-NTUHNPAUSA-N	373.206	4.739	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)ccc1[N+](=O)[O-]	774557998	HORLLCKFRZXVED-CXUHLZMHSA-N	364.792	4.807	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	793713257	MCXKTEOJPRRTKI-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
CCCCCCCOc1cccc(/C=C(\C#N)C(=O)C2CCOCC2)c1	794958745	OLSYIHDGKDJLFT-HMMYKYKNSA-N	355.478	4.938	50	20	FJGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(Br)cc1Cl	802829294	NCMTVJYGBQXMRV-UHFFFAOYSA-N	371.662	4.884	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c[nH]c(C(F)(F)F)c1	806565803	RZAVYTPIXSCGAW-VZUCSPMQSA-N	353.731	4.541	50	20	FJGD	
COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(OCCCCl)cc1)C2	811691376	OEMUIEWQBWVONG-MHWRWJLKSA-N	372.848	4.534	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	912639330	JDNMXPUBOGJQSV-UHFFFAOYSA-N	366.383	4.887	50	20	FJGD	
CC(C)OCc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	916559933	RGOZRAIZLUDAMX-UHFFFAOYSA-N	369.852	4.570	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(Nc2ccccc2)CC1	1318022498	CRKXBPLKUNRSSB-GOSISDBHSA-N	364.580	4.804	50	20	FJGD	
Cc1nc2ccccn2c1-c1nnc(CCCC[C@@H]2CCSS2)o1	1348897289	SOWBQUPDDPZSPR-CYBMUJFWSA-N	360.508	4.559	50	20	FJGD	
CC(C)(C)[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776269011	WHWXEHBSWHNAOD-MRXNPFEDSA-N	351.563	4.660	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	6956905	ZLVUZUWLOQGGLB-QGOAFFKASA-N	364.445	4.592	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	35239788	LBCVVLGWHGYPOD-QINSGFPZSA-N	373.368	4.709	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3ccccc3C)cs2)cc1	60421491	CSWLTOGZRHJCBB-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C(=O)O)cc3)n2)cc1	63278884	BIPDUDRGIZFTAX-YBEGLDIGSA-N	362.410	4.581	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-]	63279100	IUCCOPWBKQBFQL-IUXPMGMMSA-N	372.409	4.963	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3ccc(F)cc3F)o2)c(C)c1	113432111	GUFHGRZLINZUME-UHFFFAOYSA-N	372.371	4.511	50	20	FJGD	
Cc1nc(Cl)ccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	130347605	YJPHVKUHFXIUIP-UHFFFAOYSA-N	365.047	4.761	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(CSc2ccccc2)cc1	153023921	DGTCFCLWBMGQHJ-UHFFFAOYSA-N	352.434	4.875	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1F	175500435	YQCDOEHFDKEFAO-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)noc2C2CC2)c1C	588432533	RWQICUSFWJTDGJ-WQRHYEAKSA-N	366.465	4.625	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1cccc(Oc2ccccc2)c1	734248659	YZZZBIYNHWTHHI-UHFFFAOYSA-N	361.426	4.846	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1	738528952	MFZLDINMKIXKKR-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
C[C@H](CC(=O)NNc1c(Cl)cc(Br)cc1Cl)C1CC1	742006212	OTXNOZSQYIMDDJ-SSDOTTSWSA-N	366.086	4.635	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)Oc1cccc(Cl)c1	742140621	DVTGLLPTHQNNMQ-XJKSGUPXSA-N	373.971	4.938	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn2ccc(C)cc2n1	748668278	ZFNXFEGEXKZLMO-UHFFFAOYSA-N	364.474	4.593	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)Nc1ccccc1Oc1ccccc1	755405216	YIZQDICNGZPQOX-VBKFSLOCSA-N	374.371	4.869	50	20	FJGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2ccc3ccccc3c2)c1	756833389	GDQYYFXJOFEGNR-UHFFFAOYSA-N	354.356	4.514	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H](c1ccccc1)C1CC1	766074465	SZWFRWQPEAIZDT-IBGZPJMESA-N	351.837	4.525	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1csc(-c2ccccc2F)n1	785364534	UPKFEWMLCKIDBB-XNTDXEJSSA-N	364.401	4.600	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1cc2ccccc2s1	788329403	VCBJZSYQSWCMLA-WJDWOHSUSA-N	361.422	4.852	50	20	FJGD	
COc1cc(NNC(=O)c2ccccc2SC(C)C)ccc1Cl	790179172	KXCLWIJBYNFELY-UHFFFAOYSA-N	350.871	4.606	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2cc(C)cc(C)c2)c(OC(C)C)c1	790804737	PSYSYJOALNLPAQ-UHFFFAOYSA-N	356.466	4.636	50	20	FJGD	
COc1ccccc1/C(C)=C\C(=O)NNc1cc(Cl)cc(Cl)c1	791726906	OEYDDSDDLAMZNB-XFFZJAGNSA-N	351.233	4.549	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(-c2ccnn2C)c1	801647754	OIBWNYFKOSYFOJ-SFQUDFHCSA-N	366.424	4.667	50	20	FJGD	
ClCCCOc1ccc(CNCc2cc(Br)cs2)cc1	811474035	CLNDOICMLCRXJY-UHFFFAOYSA-N	374.731	4.808	50	20	FJGD	
CCC(CC)[C@H]1C[C@H](NCc2ccc(OCCCCl)cc2)CCO1	811486636	GVLMJVNDMUNSCE-UYAOXDASSA-N	353.934	4.768	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(C)s2)c1C	919701926	VXHCJZLLQIXORU-JQFNYASXSA-N	355.507	4.669	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	920033227	LVMNROYNAWSBRQ-LLVKDONJSA-N	356.775	4.996	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1Cc1ccco1	1254392175	ZOMNVVWGOXIJFY-UHFFFAOYSA-N	365.477	4.801	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1O	66407933	FIIMNAHQVDSCBI-MFOYZWKCSA-N	373.437	4.850	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	160723871	BLJLWWKDFDAFIC-UXHICEINSA-N	367.493	4.531	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	174054279	VEAONPZJVVIESX-NTEUORMPSA-N	361.228	4.685	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)ccc1O	211684017	HXRVZKWFLXYENI-PWDRBQJJSA-N	364.445	4.850	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c[nH]nc1-c1c(F)cccc1F	255283187	BPSIUBPQLWZLOE-XFFZJAGNSA-N	355.369	4.515	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1c(Cl)cccc1Cl	255911497	WOAVQJNKQNPHQA-POHAHGRESA-N	353.155	4.817	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)c(C)c1	729149465	HXPCYXAUMXSOCM-ODLFYWEKSA-N	360.457	4.871	50	20	FJGD	
C[C@@H]1c2c(F)cccc2CCN1C(=O)CCCC[C@@H]1CCSS1	737966223	WTSYFAUDKFLLBS-UKRRQHHQSA-N	353.528	4.986	50	20	FJGD	
Cc1nc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)sc1C	741854422	LDVFAHIRKWPLFR-VSORXJBLSA-N	373.528	4.763	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc2ccc(Cl)cc2n1	747591303	RAKHNSBHAWFLRV-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2ccccc2)[nH]1	748740157	ACJSPDRPYCWKHO-UHFFFAOYSA-N	370.250	4.510	50	20	FJGD	
CC(C)OCc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	754152759	XDJFODTXPSJVIH-UHFFFAOYSA-N	370.346	4.526	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1csc(C2CCCCC2)n1	754541658	PLHMYXIQBXKUFN-MHWRWJLKSA-N	368.458	4.547	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)c2ccc(Br)cc2)c(C)c1	767084058	JPBSPWPZMGYNGK-AWEZNQCLSA-N	361.283	4.621	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Br)c(Cl)c2F)c1	768093285	JCDWTJJDYCGRBQ-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2nn(CC)c3ccccc23)c1C	769726099	OSSMPFRDDFDOEF-GHRIWEEISA-N	360.461	4.674	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(Cl)cc2cccnc12	769952477	VAAXSVFIKVPLDV-UHFFFAOYSA-N	369.837	4.647	50	20	FJGD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)CCCC[C@@H]2CCSS2)c1	775823914	YZNGVMJKUAKUNI-FGTMMUONSA-N	365.564	4.772	50	20	FJGD	
CSSCCNC(=O)c1oc2ccccc2c1COc1ccccc1	791116431	LCOSQOPHUJHDTC-UHFFFAOYSA-N	373.499	4.753	50	20	FJGD	
COc1ccc(C2(C(=O)NNc3cc(Cl)cc(Cl)c3)CCC2)cc1	791732295	BHXMQUVVZHIFPU-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
CCCN(N=Cc1cc(C)n(Cc2ccco2)c1C)C(=O)OC(C)(C)C	794993139	QHCVEBBLWJMUOW-UHFFFAOYSA-N	359.470	4.727	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2Cc2ccccc2)nn1[C@H](C)C1CC1	846464740	RNUCCZVVTCHNLW-QGZVFWFLSA-N	374.488	4.510	50	20	FJGD	
Cn1ncc(C2CC2)c1/C=C(/C#N)c1nc2cc(C(F)(F)F)ccc2s1	849243166	GULYRHSEITXBLG-WDZFZDKYSA-N	374.391	4.990	50	20	FJGD	
CCOc1ccc(NNC(=O)CCCc2ccc(Cl)c(Cl)c2)cc1	857512403	NPUZCNRVXUDAFE-UHFFFAOYSA-N	367.276	4.858	50	20	FJGD	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NNc1ccc(F)cc1	917001507	WJPKCKJAIANYER-VIFPVBQESA-N	359.253	4.756	50	20	FJGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3c2)c(C)n1Cc1ccco1	917546676	DRFXSZHJWUKUCO-UHFFFAOYSA-N	371.440	4.663	50	20	FJGD	
COc1ccc(OCc2nc(/C=C(\C#N)C(=O)CC(C)(C)C)cs2)cc1	920068766	XROCXAYHQRFSIB-NTEUORMPSA-N	370.474	4.643	50	20	FJGD	
CCc1ccc(-c2nc(C(=O)NNc3cc(C)cc(C)c3)cs2)cc1	1321566002	DEPHJROFZNXNQD-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
OC[C@H](CC(F)(F)F)NCc1cccc(S(F)(F)(F)(F)F)c1	1351933726	BCROTMHTAHQWFL-VIFPVBQESA-N	359.282	4.747	50	20	FJGD	
C[C@H](CCNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)CC(=O)O	1776414493	SSWSIQCGSKXQMC-OAHLLOKOSA-N	351.563	4.661	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)CC(C)(C)C)cs2)cc1	66407887	VDIWWFPWJFNFLD-DHDCSXOGSA-N	354.475	4.943	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1cccc(Cl)c1Cl	127198341	ZWJDBWZPVYONSZ-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C\c1cnc(C)s1	175629891	SZKFSSSUNKPFGU-SREVYHEPSA-N	357.504	4.801	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)NC1(CO)CCCC1	184408082	KZGDZHIGBOWZLF-UHFFFAOYSA-N	360.348	4.771	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	211533187	GDFARWWWASDSRJ-UVTDQMKNSA-N	360.335	4.650	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	255778013	XPYAQFPAXOIDFU-LFYBBSHMSA-N	352.253	4.507	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2cc(Cl)ccc2Cl)c1C1CC1	270440204	AFHCKKKKBAXDMM-SNVBAGLBSA-N	367.280	4.795	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1cc2c(ccc3ccccc32)[nH]1	734248071	JUWQEYHBVBISAK-UHFFFAOYSA-N	358.426	4.688	50	20	FJGD	
C[C@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1C(F)(F)F	743454963	GPOVKDGGAAXJHQ-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
Cc1cc(C)c(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c(C)c1	743763235	CGCZGWOXCNKPKN-INIZCTEOSA-N	350.384	4.791	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1Br)c1ccccc1Cl	748059282	KVOLGFAJORCKHG-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	750800578	GQSFUTFKMZTTIY-PKZJLGKPSA-N	352.865	4.650	50	20	FJGD	
Cc1ccc(-c2nc(C(=O)NNc3cc(Cl)ccc3Cl)cs2)o1	752810492	RHATYJHPKOOQMG-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](c2ccc(F)cc2)C1	755551992	GZLDQXORHVLEMI-DOTOQJQBSA-N	353.528	4.856	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cnc1Cl	760209985	GKBHGIQFQQQTMD-WDZFZDKYSA-N	366.635	4.896	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2cnco2)cc1	768010335	AIWMHRHGLOZALE-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
CC1(C)C(=NNC(=O)c2cccc(OC(F)F)c2)C[C@H]1c1ccccc1	768486244	ZAQZZUIVJPVOPW-INIZCTEOSA-N	358.388	4.588	50	20	FJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2c(F)cccc2Cl)c1	770197078	ILLMFPJWQBPYLR-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1ccc(F)c(Cl)c1	773155206	TYBDBTGAEPYAMK-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])s2)cc1	782178729	IBCWZWWXNBHVLX-LQELWAHVSA-N	355.419	4.715	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1C#N)c1ccc(Cl)cc1Cl	787175592	CJINAVBJENRSBD-PWDRSIHYSA-N	370.239	4.649	50	20	FJGD	
N#Cc1cccc(C(=O)NN=C2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1	799479057	URXJLXYWGBLLCQ-HNNXBMFYSA-N	371.362	4.631	50	20	FJGD	
Cc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)oc2ccccc12	812016506	IJJOXSFENFOFJS-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
COc1ccc(NNC(=O)CC/C=C\c2ccccc2)c(C(F)(F)F)c1	816702823	DBDUXGHADBERLY-UITAMQMPSA-N	364.367	4.651	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccnc2cc(Cl)ccc12	824012379	XVQQANVPQWULRQ-UHFFFAOYSA-N	368.868	4.726	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1	917145641	UJRVAGKUNDZBJI-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)CC(C)(C)C	918714442	VQOREMJRNHUVHU-DHDCSXOGSA-N	373.859	4.945	50	20	FJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1	921270680	XPBDUEKWEIIQKO-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CC)CCC2)cc1	1790488856	LNEQDRSVSTXTFV-INIZCTEOSA-N	364.917	4.574	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	103277080	VKCAITUABSPZRB-VHSXEESVSA-N	354.294	4.517	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)c(F)c2)sc2ccc(F)cc12	175475795	DJUJVZFKDVJOMF-UHFFFAOYSA-N	354.328	4.523	50	20	FJGD	
O=C(NNc1ccncc1)c1ccccc1-c1ccc(C(F)(F)F)cc1	180508357	PKDSJQSCBFDVTF-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
Cc1ccnc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)c1	181317493	XAVLWVUHFIICOP-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CCN(CC)c1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	195553419	UNPGIEDNDIULCT-SFHVURJKSA-N	366.596	4.863	50	20	FJGD	
CCc1cccc2c1OCC[C@H]2NC(=O)CCCC[C@@H]1CCSS1	725758394	IBQNGQWUVUCJAO-NVXWUHKLSA-N	365.564	4.903	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CCC#N)CC(C)(C)C)c1C	735636721	LYSLQQYZAVKYGI-XSFVSMFZSA-N	368.525	4.600	50	20	FJGD	
COC(=O)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1Cl	735660741	NXVJNGZCFCEQFW-LBPRGKRZSA-N	373.927	4.779	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1	747590835	PLOPNNHLGJRXJB-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	749454162	ZBHKMEVIGMAXCK-RQNDZEIBSA-N	352.390	4.845	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1ccc(Cl)c2cccnc12)c1ccccc1	760258281	GPRWAJHOXYOIBP-MRXNPFEDSA-N	351.837	4.532	50	20	FJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)c1ccc2c(c1)OCO2	761175750	DCHKFTKKGALVAE-KPKJPENVSA-N	351.745	4.605	50	20	FJGD	
CC(C)c1ccc(NC(=O)C(=O)NN(c2ccccc2)c2ccccc2)cc1	782822354	VVPOHCBHWLXBQD-UHFFFAOYSA-N	373.456	4.618	50	20	FJGD	
CSCc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	803593241	PSPHJDZAKNKPMG-INIZCTEOSA-N	355.594	4.880	50	20	FJGD	
COC[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(Cl)c1	809235234	VVKCDRMDBLYYQR-HOTGVXAUSA-N	373.971	4.858	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(-c2cnn(C)c2)c1	812246732	SSZKKIDGWMHCJQ-OVCLIPMQSA-N	368.362	4.874	50	20	FJGD	
CCc1c(C(=O)NNc2c(C)cccc2C(C)C)cnn1-c1ccccc1	812764691	CDBFZOYZWPBMNM-UHFFFAOYSA-N	362.477	4.623	50	20	FJGD	
Cn1c(SCCO[Si](C)(C)C(C)(C)C)nnc1-c1ccc(F)cc1	821063219	DOZGSWJXCPVQOV-UHFFFAOYSA-N	367.566	4.735	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C(=O)NNc2c(C)cccc2C(C)C)cc1Cl	836789631	SDVSDKQLBSXXLN-UHFFFAOYSA-N	361.829	4.745	50	20	FJGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1ccccc1Cc1ccccc1	846463863	HZFHCUKTCLONEO-OAHLLOKOSA-N	363.461	4.519	50	20	FJGD	
O=C(NNc1ccc(F)cc1)/C(=C\c1ccc(F)cc1)c1cccs1	875943733	NBDJMSYFRBMCBV-ATVHPVEESA-N	356.397	4.710	50	20	FJGD	
CC(CC[C@@H]1[C@H](C)CCCC1(C)C)=NNC(=O)c1cccc(C(=O)O)c1	1776096223	QMDDJHGFCMMCDA-RDTXWAMCSA-N	358.482	4.733	50	20	FJGD	
CC(F)(F)C[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776443785	ICFDSVIYVRVXOW-OAHLLOKOSA-N	373.516	4.659	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1OCC(C)C	8202104	CGCCAGSPBIOXOX-MHWRWJLKSA-N	353.393	4.659	50	20	FJGD	
O=C(Nc1nc(C2CC2)cs1)NN(Cc1ccccc1)c1ccccc1	43650742	SVTBMBSYQYDPAX-UHFFFAOYSA-N	364.474	4.764	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)Cc2csc(-c3ccccc3Cl)n2)c1	125063630	JURYFYDFJLBMDV-UHFFFAOYSA-N	371.893	4.766	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1cc(-c2ccco2)nc2ccccc12	156549675	AVWAHMNMLDGPKV-UHFFFAOYSA-N	365.339	4.530	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(-c2nccs2)c1	157745634	LNIFSQKLHCGMHU-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](CO)C1	181777258	VBTIBVLTMGAAHH-JTQLQIEISA-N	360.348	4.580	50	20	FJGD	
CCSc1cc(CNC(=O)CCCC[C@H]2CCSS2)ccn1	188668468	FWZALHXLEUJSJF-AWEZNQCLSA-N	356.582	4.524	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)c1nnc2n1CCCCC2	215051020	UZRDXOOQTYLHAZ-OWBHPGMISA-N	364.449	4.936	50	20	FJGD	
CCSCc1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	741651504	KBXGPMFOLGJGGH-UHFFFAOYSA-N	369.939	4.522	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(Br)c1	753683571	VTAYAEVVRPTYJY-GDNBJRDFSA-N	366.218	4.872	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccnc3cc(Cl)ccc23)o1	761491266	SQKQFMUTNMUDRL-MLGOLLRUSA-N	369.852	4.681	50	20	FJGD	
COc1ccc(NNC(=O)c2ccccc2NCCC2=CCCCC2)cc1	764147640	ACVVXKVNOSFSAI-UHFFFAOYSA-N	365.477	4.755	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(O)nc(C(C)C)c1	776303804	NJRJMKARLRJWJJ-UHFFFAOYSA-N	369.490	4.861	50	20	FJGD	
CSc1ccccc1CC(=O)NNc1c(Cl)cc(F)cc1Cl	776985215	ANSKWNXKTCILCD-UHFFFAOYSA-N	359.253	4.540	50	20	FJGD	
CCn1cc(CC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	790933836	MPGLPBCTVLJRLL-UHFFFAOYSA-N	355.332	4.742	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cccc2cccc(Br)c12	802828520	ORAUFCLBMKIINB-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3cccc(Cl)n3)sc2c1	817004659	LKZQGZSIWJPLAT-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
CC(C)c1ccc(NNC(=O)Nc2ccc3c(c2)CN(CC(F)F)C3)cc1	836627060	VFHJOEWBDMNGDL-UHFFFAOYSA-N	374.435	4.539	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1	920063921	LLMSDOZDTPACKU-XMHGGMMESA-N	355.397	4.511	50	20	FJGD	
O=C(O)C[C@H](CNCc1cccc(S(F)(F)(F)(F)F)c1)C(F)F	1262163247	MBXADPFFVBYZPK-SECBINFHSA-N	369.302	4.790	50	20	FJGD	
C[C@@H](CCNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)CC(=O)O	1776414492	SSWSIQCGSKXQMC-HNNXBMFYSA-N	351.563	4.661	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(O)c2)CC1	1776779074	OSNBWGSGGPIYEF-BOPFTXTBSA-N	355.434	4.563	50	20	FJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)NNc1ccccc1Cl	92760859	MKUDKKSSFRIHIR-LBPRGKRZSA-N	360.870	4.740	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(F)cc2F)oc2c1ccc1ccccc12	122369436	DHRFNHQOEIJUSC-UHFFFAOYSA-N	352.340	4.930	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2coc(-c3ccc(C)cc3)n2)cc1	175317805	USHAEEWSMNHMEK-SFQUDFHCSA-N	373.412	4.594	50	20	FJGD	
CC(C)(C)n1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nn1	190262267	JOSNNVBMWRDIHY-UHFFFAOYSA-N	370.347	4.943	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1OCC	191356782	YZXRBVDGEYHCOC-SFQUDFHCSA-N	359.429	4.881	50	20	FJGD	
COC(=O)c1ccc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)o1	191947123	OYCSGIMUDXKJMZ-UHFFFAOYSA-N	371.283	4.976	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	209741895	TUABDFZVRJCTGX-UKTHLTGXSA-N	351.456	4.726	50	20	FJGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)s1	386809234	OSIUJOMZDHKCFT-XFXZXTDPSA-N	362.248	4.648	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)c1ccc(F)cc1	588506934	IQJIXLWJVDSVPW-UYRXBGFRSA-N	358.372	4.686	50	20	FJGD	
CC(C)(C)c1csc(CCNC(=O)CCCC[C@@H]2CCSS2)n1	729440462	KJDDJUYLRQCXJP-CYBMUJFWSA-N	372.625	4.813	50	20	FJGD	
CC[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1nc(C)cs1	729623163	GSSKMTQZFXJUSZ-NSHDSACASA-N	359.282	4.536	50	20	FJGD	
CSC[C@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	731325429	OIRKMMRBAQANNX-QPUJVOFHSA-N	357.850	4.844	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OC)c(COCC)c2)cc1	747613347	YNYLESOBETZUSV-DEDYPNTBSA-N	363.457	4.974	50	20	FJGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@@H](C)c1nc2ccccc2s1	748779127	VVIDFKAWEBSNOK-GFCCVEGCSA-N	362.458	4.687	50	20	FJGD	
N#CCC[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccccc1	749220749	LJPNXFUFESPCGE-HNNXBMFYSA-N	363.248	4.665	50	20	FJGD	
N#CC1=CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1	760003413	JTXPBQKZPOARON-UHFFFAOYSA-N	362.395	4.590	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	761476578	SQVMJYADNVLFBD-YRNVUSSQSA-N	366.635	4.896	50	20	FJGD	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H](Br)C(C)(C)C)C1	768197967	IKQAMMFEJUFOIX-BYCMXARLSA-N	356.279	4.545	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccccc1Oc1ccccc1	775257482	MYPBVYMWIXLCMA-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1csc(CCc2ccccc2)n1	785351645	OJAMJWUJCICLBZ-CPNJWEJPSA-N	374.465	4.579	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(C)c(OC(C)C)c2)ccc1Cl	788686857	GPJSTXPVIJKHKM-UHFFFAOYSA-N	363.845	4.593	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=CCc1cccc(Cl)c1	794876916	AARVYYGYQBXEQM-UHFFFAOYSA-N	369.877	4.730	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc(Cl)c1O	809145739	DUMRKKVAXYUCCK-PXNMLYILSA-N	355.821	4.851	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(Br)c2ccccc2c1	815854254	UULBZPKMCNCFNW-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1-n1cccc1	821698936	OBPMYVBDOBIKMX-UHFFFAOYSA-N	359.351	4.561	50	20	FJGD	
CC(C)(C)CC(C)(C)NCCP(=O)(c1ccccc1)c1ccccc1	917147530	LJBXWKMNEYDQTD-UHFFFAOYSA-N	357.478	4.805	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(OCCN3CCCC3)cc2)c1	918713378	JOZPOGUUMKTQGN-CJLVFECKSA-N	374.484	4.568	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)cc1	920159615	YXFILGPQCSIRQO-NWFCWYBLSA-N	357.356	4.575	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)cc1	920498365	NLILRYHJVISOJU-XDUBLRSXSA-N	373.355	4.508	50	20	FJGD	
O=C(NN=C1CCC(C2CCCCC2)CC1)Nc1ccc(C(=O)O)cc1	1776045221	FWLKMOCGDOLZJC-UHFFFAOYSA-N	357.454	4.633	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C	11290431	HAMHLFSEUQSZKJ-GXDHUFHOSA-N	374.412	4.864	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)c(C)n1Cc1ccco1	14178852	QCRCEXKIDXGYBW-LDADJPATSA-N	352.434	4.529	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc(C(F)(F)F)c1	105284868	RJVWXJHZOVOYSW-JTQLQIEISA-N	374.815	4.983	50	20	FJGD	
N#C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	113176579	KDRBVHYCMUPORN-LSDHHAIUSA-N	354.928	4.735	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc(OC)c1	125220581	QZKSATDDTSKJEM-QDEBKDIKSA-N	368.742	4.835	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)ccc1OC(F)F	170933523	XIKJEHCKNZUXSA-MDWZMJQESA-N	363.385	4.847	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(-c2nccs2)cc1	179690520	UNZUQFWCWVGUAC-UHFFFAOYSA-N	367.459	4.568	50	20	FJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(C2CCC2)cc1	189676063	ZVJMMSMKCXKHLZ-UHFFFAOYSA-N	364.367	4.652	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OC(F)F	255780208	YAEDKTGTAKJLSK-UVTDQMKNSA-N	369.371	4.638	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)ccc1OC(C)C	588424895	PNQZJBSIWPKKCT-JYRVWZFOSA-N	361.850	4.987	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)CC(C)(C)C)sc2c1	732678304	ALPFGODVPCOHHZ-UHFFFAOYSA-N	366.914	4.875	50	20	FJGD	
CC(C)[C@H]1CCCCN1CCP(=O)(c1ccccc1)c1ccccc1	735311402	IWBKASRCGOTPRE-JOCHJYFZSA-N	355.462	4.511	50	20	FJGD	
C[C@@H](NC(=O)NNc1c(F)cccc1F)c1cccc(Cl)c1Cl	735758165	LRJMNDIVCDSKFV-MRVPVSSYSA-N	360.191	4.659	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2cccc(F)c2)c1C	736502069	KYIQQXCMUKWTMB-LDADJPATSA-N	367.468	4.613	50	20	FJGD	
Cc1ccc(OCC(=O)NN=Cc2sc3ccccc3c2Cl)cc1C	744729722	LLGWGCFSCYDHHL-UHFFFAOYSA-N	372.877	4.701	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)C(=O)C1CCCCC1	757921521	WUFKKUNUJSOULW-ZSOIEALJSA-N	355.331	4.823	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2sc3cc(F)ccc3c2Cl)c1	759311343	SSOLIJLMNCYSKU-UHFFFAOYSA-N	368.792	4.598	50	20	FJGD	
Oc1nc([C@@H]2CC[C@@H](Br)C2)nc2sc3c(c12)CCCCC3	765983817	YKQMGMNBEIVBLU-NXEZZACHSA-N	367.312	4.697	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)ncn1	773171093	HDCGYHNDLIRKBJ-ONNFQVAWSA-N	353.781	4.517	50	20	FJGD	
CC(C)[C@H]1CCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773724799	WBSNHHKBVBHCJX-GFCCVEGCSA-N	372.359	4.539	50	20	FJGD	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NNc1c(C)cccc1F	775175454	FHRGDZUNBVSZEQ-OAHLLOKOSA-N	369.362	4.762	50	20	FJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(CCC(F)(F)F)cc1	775667439	RFESXMWBKWYCGF-UHFFFAOYSA-N	359.298	4.608	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)c3cccnc23)cc1	780808269	CKBMYVFTSULKFI-UHFFFAOYSA-N	353.853	4.943	50	20	FJGD	
CCOc1ccc(C(=O)NN=C2CCC3(CCCCC3)CC2)cc1OC	786038180	NBYTUKPWWWFNGS-UHFFFAOYSA-N	358.482	4.704	50	20	FJGD	
Cc1ccc(C(=O)NN=C2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)o1	799482310	RZVPXQJNWOKURX-CYBMUJFWSA-N	350.340	4.660	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	808247143	RLTICRUTNQZRJY-NWDGAFQWSA-N	369.317	4.608	50	20	FJGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1ccc2ccccc2c1	814219472	YYHDAPRZRXARNA-JMSKORNJSA-N	358.441	4.805	50	20	FJGD	
CC(=O)N(c1ccc(NCc2ccc(OCCCCl)cc2)cc1)C1CC1	816661543	QCXPGGBERQZNGE-UHFFFAOYSA-N	372.896	4.822	50	20	FJGD	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1cccc(Cl)n1	817012101	XSMWPOPQWAFWHN-HJWRWDBZSA-N	356.640	4.588	50	20	FJGD	
CCSc1ccccc1C(=O)NNc1ccnc2cc(Cl)ccc12	818268474	MFVLMFHPPGPFOD-UHFFFAOYSA-N	357.866	4.757	50	20	FJGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccccc2Cc2ccccc2)cc1C	846464872	UETLHQYDVZWVCV-MRXNPFEDSA-N	362.477	4.510	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(F)cc2F)c(C)n1CC(F)(F)F	915862179	HNLIRWSJURWHFE-MLPAPPSSSA-N	368.305	4.735	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1Cl	916273518	IDKTXFIQZQJQEY-UHFFFAOYSA-N	373.692	4.889	50	20	FJGD	
COCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1	917142780	PMKLPZVCLKVNAJ-XMHGGMMESA-N	363.457	4.799	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C(C)CCc2cccc(C)c2)cc1OC	920366739	WSQPSNJELVNFKR-UHFFFAOYSA-N	368.477	4.531	50	20	FJGD	
Cc1ccc(NNC(=O)c2coc(-c3ccccc3Cl)n2)cc1Cl	1319953647	KHVFKLWMRTWTMV-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2c(c1)oc1ccccc12	1327889745	LPQUNTNAAZEJNG-UHFFFAOYSA-N	356.303	4.760	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1	16439976	ZTGDSKKDMYYROY-RVDMUPIBSA-N	370.836	4.683	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	33737554	YGTOKUXMHXIVSN-BKCVOQLPSA-N	357.369	4.731	50	20	FJGD	
O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(CCCl)cc1	36900467	DFCYYGMPCXGXJF-UHFFFAOYSA-N	364.681	4.576	50	20	FJGD	
O=C(Nc1cccnc1N1CCCC1)NN(c1ccccc1)c1ccccc1	48172259	KUPOVAHNZRUMSU-UHFFFAOYSA-N	373.460	4.557	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	72042036	AVYHSXXSHKHFEE-KMKOMSMNSA-N	367.619	4.898	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1	131901989	PIOBDVOCIVYRRU-GFCCVEGCSA-N	359.351	4.500	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccccc2SCc2cccs2)cc1	155686173	BMNXLDVQWWBQOU-UHFFFAOYSA-N	365.483	4.669	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	173017126	JJRCQQYTILAVTG-OVCLIPMQSA-N	350.805	4.758	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)CCCC[C@H]2CCSS2)C2CC2)s1	174033307	NHYMGLIFGJULHT-ZFWWWQNUSA-N	356.582	4.733	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)c1cnc2ccccc2n1	191353096	WUNDRYIMZOBDNG-NTUHNPAUSA-N	373.309	4.774	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	741473395	HSRMEJIFOZCBLJ-JFBXQDQPSA-N	368.389	4.776	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3ccc(Cl)nc3)cc2C1	743815937	LGVAKSGBGGBGLY-GFCCVEGCSA-N	363.914	4.704	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnc1Cl	760211191	NKGJEHVVIGHHKQ-WZUFQYTHSA-N	366.635	4.896	50	20	FJGD	
O=C(NNc1ccccc1)Nc1cccc(COc2cccc(F)c2)c1	762234651	HNGOZKYLXOCMFV-UHFFFAOYSA-N	351.381	4.553	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H](c1ccccc1)C1CC1	766074466	SZWFRWQPEAIZDT-LJQANCHMSA-N	351.837	4.525	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ccc([N+](=O)[O-])cc3)sc2c1	768250049	LXOOIKLVLZUMAP-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc2cc(OC)ccc2o1)c1ccccc1	787145784	TXLCSBBHHKVGBN-XMJIKXADSA-N	360.413	4.616	50	20	FJGD	
CC(=O)c1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1C	792342301	HUERNWVRNWZMBN-UHFFFAOYSA-N	352.221	4.653	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])sc12	809612761	ZJGDOUGOWVVCHP-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1OC	812249262	YFPOMGVYAGFYHX-ZROIWOOFSA-N	360.335	4.738	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2c(OC(F)F)cccc2[nH]1	812768453	UELQRHVEUUMSMH-UHFFFAOYSA-N	373.403	4.958	50	20	FJGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)c1nc(C2CC2)cs1	843265448	NCKFFGGJULINIS-CFINBHSISA-N	352.459	4.642	50	20	FJGD	
COc1cc(C(=O)NNc2ccccc2Cl)ccc1OCCC(C)C	912646530	FAOMSUXSZDFULL-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1ccccc1	915981587	TYWKNKRUAKAFOK-LPYMAVHISA-N	364.404	4.927	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)CC(C)(C)C)o2)cc1	918714315	SHRDONLBALKMPM-LFIBNONCSA-N	351.402	4.645	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)cc1	920065003	QGYBNMVOAVBOBS-LUYJPIOASA-N	350.466	4.766	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	1115998753	PVIUCBAVMOXXQK-ATVHPVEESA-N	357.365	4.743	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3ncccn3)o2)c(C)n1C1CCCCC1	1118141407	ADVXFBIGCLFWPI-ATVHPVEESA-N	374.448	4.514	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1nc(N)c2ccccc2n1	1317813398	UKJZNCODWZGPLW-UKTHLTGXSA-N	373.416	4.539	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)c1nc(-c2ccncc2)cs1	1317965359	BRCFSMWDXBJPSH-AQTBWJFISA-N	358.470	4.869	50	20	FJGD	
Cc1nc([C@H](C)NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)no1	1323061967	MMWKOHMHRNUJRB-ZETCQYMHSA-N	372.319	4.918	50	20	FJGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(C(F)(F)F)cc3)c(Cl)c2c1	1324280303	GINIDEUCEWHOKZ-UHFFFAOYSA-N	367.758	4.905	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)C(=O)c1cccc(Cl)c1	11297672	IHCXOTNBMSMGPH-AWNIVKPZSA-N	360.196	4.554	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1	20787096	SRMXMGHMISEQFP-QGOAFFKASA-N	364.445	4.592	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(C)cc3)sc2C)cc1	120431071	MJITWKDWFYMJJK-UHFFFAOYSA-N	352.459	4.797	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2Sc2ccccc2)c1	130902760	PHFRECSCOUVSSL-UHFFFAOYSA-N	368.433	4.742	50	20	FJGD	
C[C@H](Sc1cccc(C#N)c1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	177097091	LRCKVACURWOGOY-IBPDABBASA-N	363.467	4.561	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1c(F)cccc1F)C(=O)c1c[nH]c2ccccc12	178366299	UBOQCNYJZHGUTC-XYOKQWHBSA-N	374.350	4.626	50	20	FJGD	
COCCOc1ccccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	255567781	UKPRAXJIZBLCCK-AQTBWJFISA-N	362.454	4.899	50	20	FJGD	
O=C(CCc1ccc(Cl)cc1Cl)NNc1nccc2sccc12	734248318	PZGHOFMFPRQERU-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(-c4c(F)cccc4F)o3)nc12	741474669	YAXQWSJJRWMYSU-XFXZXTDPSA-N	362.339	4.869	50	20	FJGD	
C=CCCC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	761364479	TWKQOUMMSFSCOF-CPNJWEJPSA-N	368.477	4.596	50	20	FJGD	
C[C@H](CC(=O)c1cccs1)NC(=O)CCCC[C@H]1CCSS1	765207894	NDKGTEROPLWTMU-OLZOCXBDSA-N	357.566	4.540	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	773492938	REWFJCOCHUIOMY-UHFFFAOYSA-N	366.383	4.777	50	20	FJGD	
CCOc1cc(Cl)ccc1C(=O)NNc1cccc(C(F)(F)F)c1	778936547	LYNHVJYDACYQHH-UHFFFAOYSA-N	358.747	4.514	50	20	FJGD	
C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983153	PESNRWFOGDFLON-CABZTGNLSA-N	365.389	4.811	50	20	FJGD	
O=P(CCN1CCC=Cc2ccccc21)(c1ccccc1)c1ccccc1	786445327	QXSDPABAVISTLV-UHFFFAOYSA-N	373.436	4.924	50	20	FJGD	
C=C(CBr)CN1CCc2sccc2[C@H]1c1cccs1	791442685	SVGCUDGZSKETQL-HNNXBMFYSA-N	354.338	4.708	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1OC	797399957	YJHJEHNEFKHXSK-NTUHNPAUSA-N	358.463	4.531	50	20	FJGD	
CCCc1c(C(=O)NNc2c(C)cccc2CC)cnn1C1CCCC1	799758002	SOGWWKPFHVYOFW-UHFFFAOYSA-N	354.498	4.578	50	20	FJGD	
Nc1ccc(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	801710994	LDTMTMXFLHCVMT-UHFFFAOYSA-N	368.331	4.643	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(O)ccc2Br)cc1C	809145560	AFARYXUQZOFVGE-OVCLIPMQSA-N	356.219	4.561	50	20	FJGD	
N#C/C(=C\c1sccc1Br)c1cc(C(F)(F)F)ccn1	812248160	FWHOAKYXJMFOQD-VMPITWQZSA-N	359.170	4.989	50	20	FJGD	
N[C@H]1C[C@H]2CC[C@H]1N(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C2	853318323	AYDDGSAWBVVRKK-JIMOISOXSA-N	371.375	4.688	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc(-c2cccs2)[nH]n1	918391130	JBPFEWNFJFIHKJ-NSHDSACASA-N	353.538	4.791	50	20	FJGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)s1	919763432	BBUGXDASJBJQDI-MWJIIQFGSA-N	369.534	4.915	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@@](C)(CO)C2)cc1	1321742985	KMAOCNRDGYLSMC-OAQYLSRUSA-N	363.618	4.803	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2C=CC[C@H](C(=O)O)C2)c1	1776269210	HNYJQOMSAYSKSY-IRXDYDNUSA-N	361.558	4.580	50	20	FJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/C#N)C(=O)C(C)C)cs1	55040095	CPRVABKYQAEYKO-SXGWCWSVSA-N	367.474	4.577	50	20	FJGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1c(Cl)cccc1Cl	132899785	BZGZQJSAELYRTR-ZHACJKMWSA-N	358.228	4.698	50	20	FJGD	
COc1ccc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	210453827	MUBKLTYHFWAEOI-IBPDABBASA-N	368.483	4.698	50	20	FJGD	
CCc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3OC)cc2)cc1	741455087	IUFYTNPXTZTANJ-UHFFFAOYSA-N	358.441	4.689	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cnc(-c3cccs3)s2)n1	751515316	XQDBPASYOGZHBF-UXBLZVDNSA-N	373.484	4.569	50	20	FJGD	
O=C(NCCn1cccc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752980683	HGDARIQUASSHGB-UHFFFAOYSA-N	355.332	4.967	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2csc(Cl)c2Cl)c2ccccc2n1	761745149	FDCRDZKUEDNWKV-UHFFFAOYSA-N	364.257	4.675	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2c[nH]nc2-c2c(F)cccc2F)c1	768490077	MGZJZZUROISLBG-OQLLNIDSSA-N	363.367	4.762	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(OCc2ccccc2F)CC1	768802265	OOUORYQKZVWDEK-ZVBGSRNCSA-N	354.400	4.510	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2cc(Cl)ccn2)c1	778449047	ZHWLAWXRZOLKSS-UHFFFAOYSA-N	367.836	4.558	50	20	FJGD	
O=C(NNc1ccnc(F)c1)c1ccc(Sc2ccc(Cl)cc2)cc1	781356055	RGOKJWXPDNUSEL-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)C1CCCC1	781555660	NBKYQHFUFXRGOU-YBEGLDIGSA-N	371.843	4.699	50	20	FJGD	
CN(Cc1csc2ccccc12)C(=O)/C(C#N)=C/c1ccc(F)cc1	785271771	GNLBKIHHYJXFBG-XNTDXEJSSA-N	350.418	4.606	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1cnc2ccccc2n1	790230463	AHTMYAJFZDHITO-ZSOIEALJSA-N	363.804	4.509	50	20	FJGD	
COC1(CC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCC1	792525451	NTUVHPPJKKOEFA-ZDUSSCGKSA-N	367.820	4.804	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)cc1OC	916347892	BCLQWEIEILQDRU-CVEARBPZSA-N	358.482	4.560	50	20	FJGD	
N#C/C(=C\c1cccc(-c2ccccc2)c1)C(=O)Nc1ccc(C(=O)O)cc1	1776129057	GWNDSVQXMCZMBI-XSFVSMFZSA-N	368.392	4.597	50	20	FJGD	
COc1ccc(F)cc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	23681315	DQGHMMQSUBBSEI-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(F)ccc12	98008690	GANBLPGYLOIOJZ-WZUFQYTHSA-N	369.739	4.658	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1OC(F)F	255301045	WKDAIALNAXTFRL-KPKJPENVSA-N	350.390	4.941	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)N(C)C1CCCCC1	732716211	KVLIRMHXZDOVPW-JYRVWZFOSA-N	367.276	4.700	50	20	FJGD	
Cc1cccc2cc(/C=C(\C#N)C(=O)N(C)c3ccccc3)c(Cl)nc12	732804774	WPWAMDOFKLSEDN-SFQUDFHCSA-N	361.832	4.767	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	741473392	HRXWCUWLECBDIJ-BVTUPMQUSA-N	373.859	4.945	50	20	FJGD	
CC(C)C(=NNC(=O)c1cccc(Br)c1)C1CCCCC1	741768235	XJXWOCPWUHGSOF-UHFFFAOYSA-N	351.288	4.771	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	753683276	PRXHMGJALURTQQ-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(C)c2OC(F)F)c(C)c1	777869048	FFERFFSVWDEDRB-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1cc2ccccc2s1	788331140	LOVABPVXSGMYAC-GZTJUZNOSA-N	355.422	4.877	50	20	FJGD	
COc1cc(NNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)ccc1Cl	790179342	PCORGXAVHDTQMR-JTQLQIEISA-N	372.774	4.614	50	20	FJGD	
ClCCCOc1ccc(CNCCc2cccc3cccnc23)cc1	811473266	UEUVEVYAZGHKTJ-UHFFFAOYSA-N	354.881	4.575	50	20	FJGD	
CCCc1nc(C)c(C(=O)Nc2c(CC)cc(SC#N)cc2CC)o1	839236222	QGKKAPYEGRZIBJ-UHFFFAOYSA-N	357.479	4.886	50	20	FJGD	
COc1cc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)ccc1OC(C)C	916349431	YGXRENXKRYYKKF-HOTGVXAUSA-N	358.482	4.559	50	20	FJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)CC(C)(C)C)cs1	60452910	UDAXJEGJWPQYSV-XNTDXEJSSA-N	367.474	4.740	50	20	FJGD	
C[C@@H](Sc1ccnc2ccccc12)C(=O)C(C#N)=C1Nc2ccccc2N1	109199800	NIFWJTGFEPDQFI-CYBMUJFWSA-N	372.453	4.557	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Cl)cc1Br	120097439	NQILVVCJYQFXLX-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1	154848527	GBYIKGGODCOODX-UHFFFAOYSA-N	365.339	4.530	50	20	FJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)o1	177636122	ZDUNNCZFVGGQJK-MDWZMJQESA-N	350.340	4.613	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1ccc(F)c(Cl)c1	179605401	UILCPMSHVITMNW-KPKJPENVSA-N	369.808	4.787	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3cc(OC)ccc3c2)cc1	205774481	LRZXTDMSPWDMBA-UYRXBGFRSA-N	372.424	4.793	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	209258764	FIPKTESSUAILON-RIYZIHGNSA-N	351.456	4.726	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1OC	732715947	DQZTWHLCPUYSRU-JXAWBTAJSA-N	370.493	4.572	50	20	FJGD	
Cc1c([C@H](C)NC(=O)NNc2cc(F)c(F)cc2F)oc2ccccc12	734659413	BJMKYWRZAMUWDU-JTQLQIEISA-N	363.339	4.546	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c(C)c1	743762737	JJXQNAGZVSDELU-DLBZAZTESA-N	373.294	4.621	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1OC(F)F	764891528	LKTYTSZBLRTSNP-YBEGLDIGSA-N	357.356	4.785	50	20	FJGD	
Cc1ccccc1C1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	767984776	YBOGKWKTVFUUMU-INIZCTEOSA-N	352.316	4.511	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-]	774558463	DNNFCMWCICKGOD-QPEQYQDCSA-N	364.279	4.566	50	20	FJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)C3CCCC3)c2)cc1	781556371	XFRXKTCDTGDLOD-CPNJWEJPSA-N	374.440	4.614	50	20	FJGD	
CC1(C)C[C@@H]1CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981946	IADUOSDOISJCAP-SECBINFHSA-N	365.389	4.668	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(C)cc1Cl	793711056	AYJVQGBPBCRJSB-UHFFFAOYSA-N	358.747	4.612	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(Oc2cccnc2)cc1	808897801	CDJFVMWRGYMWNG-UHFFFAOYSA-N	371.400	4.571	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(c2noc3cc(F)ccc23)CC1	810045889	JBZPHWVQUYMXBR-FBCYGCLPSA-N	365.383	4.850	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cnn(C2CCCC2)c1-c1ccccc1	817345790	JXKGDJOKNGPQIH-FOWTUZBSSA-N	351.425	4.889	50	20	FJGD	
NC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189533	HZLVZBCHSGOFHO-MWLCHTKSSA-N	359.364	4.593	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccccc2F)c1C	914480715	IHYNJWZAZLRTNH-AMRJIULGSA-N	367.468	4.781	50	20	FJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1C	915989552	AKPRGGVRAUAFKL-MHWRWJLKSA-N	369.262	4.920	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2OC)c1C	920010067	YNOWFXFOSFASFR-WJDWOHSUSA-N	371.868	4.723	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)c1ccc2ncccc2c1	1116890528	YBIFZDQEKABLRC-XSFVSMFZSA-N	353.425	4.625	50	20	FJGD	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)NNc1ccc(OC(F)F)cc1	1340925298	RDBABTCBVHNHFD-BHQIHCQQSA-N	373.186	4.751	50	20	FJGD	
CC(C)[C@@H](C(=O)O)[C@H](C)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776301245	WJFPWBULIZHJOW-MAUKXSAKSA-N	365.590	4.906	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)cc1	1776697728	OVFMZAXOEZQOSS-HNEYUBDGSA-N	366.392	4.583	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)ccc1C(=O)O	1777287417	GJMNGSZKRGCPBE-WDZFZDKYSA-N	370.817	4.721	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	6950101	LCBWUAHKVVQYND-GXDHUFHOSA-N	360.335	4.650	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc(OC)c1	44027385	UZPLXGKELVAEHG-ACAGNQJTSA-N	366.804	4.628	50	20	FJGD	
CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCCC[C@@H]1CCSS1	101524575	BYRPSNLCXOZWHR-LLVKDONJSA-N	374.478	4.576	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)Nc1ccccc1Cl	178808478	FWGKKPZPMPGRHH-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)c3ccsc3)c(Cl)nc21	255196724	ZJSHMUKRQSRISB-ACAGNQJTSA-N	356.838	4.517	50	20	FJGD	
O=C(NNc1ccccc1F)[C@@H](Sc1ccc(F)cc1)c1ccccc1	748056298	QWEWYYMVNBDAGI-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc3cc(Br)ccc3c2)cc1	749202435	OMPKHIDGHDZZHL-UHFFFAOYSA-N	355.235	4.668	50	20	FJGD	
CCSCc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	754143642	QIBIFZWYGKVDHJ-UHFFFAOYSA-N	372.387	4.855	50	20	FJGD	
O=C1/C(=C/c2cnn(CCCl)c2)CCc2c(Cl)sc(Cl)c21	760264122	IXOVNUSQHLBNPY-WEVVVXLNSA-N	361.681	4.703	50	20	FJGD	
C[C@@H]1CCc2c(sc3nc([C@H]4CC[C@@H](Br)C4)nc(O)c23)C1	765980792	FGEIJPARRRVPEA-KXUCPTDWSA-N	367.312	4.553	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	767718235	RFFJXQNPWXIICD-WZUFQYTHSA-N	350.727	4.611	50	20	FJGD	
CC(C)Oc1c(Cl)cccc1NC(=O)NNc1ccc(F)c(F)c1F	770035280	KOZXXZZOPDGWPZ-UHFFFAOYSA-N	373.762	4.693	50	20	FJGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)n1	776478165	BAEFJOQQPIBBNL-UHFFFAOYSA-N	370.840	4.579	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1sccc1Cl	782136047	OXXIEIZREKABOR-UHFFFAOYSA-N	370.861	4.598	50	20	FJGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(SC(F)F)cc2)c1	786056094	LUICCKUYWAISGU-YBEGLDIGSA-N	358.413	4.533	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H](Br)C(C)(C)C	794093118	QEUAFXCUKPILGA-MRXNPFEDSA-N	361.283	4.805	50	20	FJGD	
CC[C@H](C)NC(=O)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811501573	OJDXBLIDAXVJRL-INIZCTEOSA-N	374.912	4.835	50	20	FJGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	914702480	HSEFXYYYMVDEPU-CJAAZZPWSA-N	361.850	4.554	50	20	FJGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)c1nc(N)c2ccccc2n1	1115862638	BMMUHVWQAGDNPS-FOWTUZBSSA-N	356.429	4.598	50	20	FJGD	
COC(=O)c1cccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	1319119543	UQIFZLWXHFUJFW-VCHYOVAHSA-N	371.421	4.533	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2C[C@@H](CCC(=O)O)C2)c1	1776269239	OQBQSEJPARFQNL-WOVMCDHWSA-N	363.574	4.804	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(Cl)c2cccnc12	45892686	DCYAWDAWAJAURY-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)s1	122091213	RYZGHUNXQQWNLK-GHXNOFRVSA-N	368.380	4.527	50	20	FJGD	
O=C(NNc1ccccn1)Nc1ccccc1-c1nc2ccccc2s1	180027738	QVSJPMXMYKBEBP-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cccnc3Cl)n2)cc1	255778000	VSXAHRNNWHVXKX-ZROIWOOFSA-N	353.834	4.931	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)c3cnc4ccccc4n3)cs2)c1	588580853	SKBHCZGKTWOSAY-DHDCSXOGSA-N	370.437	4.826	50	20	FJGD	
COc1ccc2c(c1)CCCN(C(=O)CCCC[C@@H]1CCSS1)C2	728544283	XUCPYOTZXPUVCZ-GOSISDBHSA-N	365.564	4.684	50	20	FJGD	
O=C(Cc1ccccc1F)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	731316564	BMJFHVFYFDCRIR-UHFFFAOYSA-N	371.415	4.667	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2csc(-c3ccc(C)cc3)n2)cc1	734304622	QEVUOZGTCLLVMG-ODLFYWEKSA-N	373.481	4.650	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2ccco2)nc2ccccc12	748561748	ZHTSYJCAJICEQE-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3ncco3)c2)c1C	754218870	YKBRWINTZCGWDH-UNOMPAQXSA-N	374.444	4.716	50	20	FJGD	
CCC(C)(C)OCc1ccccc1NC(=O)NNc1ncccc1Cl	758279218	NKCKWSNZTGSBRU-UHFFFAOYSA-N	362.861	4.589	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1CCC(F)(F)F	759662542	NSWUNYZGZSTADN-UHFFFAOYSA-N	360.738	4.731	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)c(F)c2)cc1	764886822	UAFVDNCHSHWYAJ-NVNXTCNLSA-N	363.310	4.865	50	20	FJGD	
O=C(CCc1cncc2ccccc12)Oc1ccc([N+](=O)[O-])c2ccccc12	765088261	QRGPLJFJBWCDIT-UHFFFAOYSA-N	372.380	4.834	50	20	FJGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H](Sc1ccccc1)c1ccccc1	768504140	HQLWTMFEHFWUCT-IBGZPJMESA-N	374.469	4.540	50	20	FJGD	
C[C@@H](CBr)CN(Cc1cccc(-c2cccnc2)c1)C1CC1	770666409	KNSUQKJVSWLOCZ-HNNXBMFYSA-N	359.311	4.744	50	20	FJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)c1ccc(OC(F)F)cc1	776259617	MLRSVYCEYSZCDE-LCYFTJDESA-N	357.287	4.963	50	20	FJGD	
O=C(NNc1ccccn1)Nc1cccc(CSCc2ccccc2)c1	779054372	BYMALDVPQWFVLO-UHFFFAOYSA-N	364.474	4.664	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccn2Cc2cccs2)cc1	780805964	MOAVZDZSMIEKOA-UHFFFAOYSA-N	353.491	4.652	50	20	FJGD	
Cc1nnc(-c2cccc(NCc3ccc(OCCCCl)cc3)c2)o1	811471790	XAYQTIDDUYSNOS-UHFFFAOYSA-N	357.841	4.665	50	20	FJGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1cccc2c1CCCC2	815854013	KNPKHBSPFILZJZ-UHFFFAOYSA-N	373.294	4.702	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cc1csc(-c2cccs2)n1	899892117	DAJJTCWLTVEZIJ-UHFFFAOYSA-N	374.443	4.545	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(F)(F)F)c(C)n1C1CCCCC1	912506870	GSSDRTHUWSJWSC-OQLLNIDSSA-N	354.372	4.623	50	20	FJGD	
Cc1cccc(NNC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)c1	912634600	LGHGSMAXEZTUSW-UHFFFAOYSA-N	365.502	4.928	50	20	FJGD	
COC(=O)NN=Cc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1	916268689	FZRCHSPTQJKJEE-UHFFFAOYSA-N	371.393	4.509	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1F	921138707	ZJYUUQRJMGSZPU-UUILKARUSA-N	350.176	4.931	50	20	FJGD	
CCON(C(C)C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	1118131198	RMEKYTNNDHRKRK-UHFFFAOYSA-N	369.377	4.695	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nnc4n3CCCCC4)c2C)cc1	6209543	ZWJCODZAMJDMSP-XSFVSMFZSA-N	371.488	4.785	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1	7158870	OJMGGOMIKKAGMT-XMHGGMMESA-N	365.392	4.896	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)C(=O)c1ccsc1	44028045	GVDNTMLYTIKGDP-JMIUGGIZSA-N	370.433	4.989	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1csc(-c2ccoc2)n1	124225725	NQSYMCGMYYWQOH-UHFFFAOYSA-N	372.208	4.606	50	20	FJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNc1cccc(F)c1	154081025	VPMWZKYTMOYKHP-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1)C1CCCCC1	177615276	LEOZXSKISBQYQG-JLHYYAGUSA-N	357.504	4.570	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(COc2ccccc2)cc1	178476439	RYKWKHGZYTXUNX-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
CN1CCC(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	192261596	LUMRKRVYZCNJKN-UHFFFAOYSA-N	373.391	4.807	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3sccc3C)cs2)c1	193347548	QWKUFEYYYJFHPX-RIYZIHGNSA-N	366.467	4.979	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)c1sccc1C	588506765	DDGJMMNIBNLSDG-PDGQHHTCSA-N	360.438	4.917	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(F)c(Br)c2)c1C	727654508	GWSRAHIMYLYVMZ-ZSOIEALJSA-N	358.210	4.995	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccccc1OCc1ccc(Cl)cc1	748057505	ZMDVVSSISNHORP-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1c(Cl)cccc1Cl	763617854	UNRGXGWIYDVXFW-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)c(Cl)[nH]1	768007093	JRWDGQIWJUHPLD-UHFFFAOYSA-N	356.999	4.524	50	20	FJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1c(F)cccc1Cl	770203120	DCIIPXVJYBYUGQ-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1	773153697	WLABMTLWZVFQGV-NVNXTCNLSA-N	363.310	4.781	50	20	FJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1	775469388	MZIZAENDASJNSP-UHFFFAOYSA-N	374.400	4.508	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](COc2ccccc2)C1	780023253	LRLJBBSILKDPIW-WMZOPIPTSA-N	365.564	4.628	50	20	FJGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2cccc([N+](=O)[O-])c2C)c1C	780950392	HERHKIWXMWPAHL-UHFFFAOYSA-N	365.389	4.537	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(C)c(C)c2Cl)ccc1Br	783590081	RQNUUVUCOHMPFL-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(F)F)cc1)c1ccccc1	787140529	HGBCOHRJNQQPIF-WPNIOXTASA-N	370.399	4.505	50	20	FJGD	
CC(C)(C)Sc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787295707	DGYDWKPBHNEPFO-NTCAYCPXSA-N	352.459	4.828	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(F)c1Cl	788759518	CXBLTONDHMLWCM-UHFFFAOYSA-N	365.594	4.990	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	806566390	DRZCFXRGOKHRDL-XCVCLJGOSA-N	363.726	4.958	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	812241385	HIBZVUXJPLBONI-WUXMJOGZSA-N	354.768	4.759	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c(C)n1C1CCCCC1	812245535	TZFPRUCVTHSENT-GZTJUZNOSA-N	350.422	4.978	50	20	FJGD	
Cc1ccccc1C1(C(=O)NNc2ccc(OC(F)F)cc2)CCCC1	813494855	DBXKMXBXOZXTJB-UHFFFAOYSA-N	360.404	4.552	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@H](CF)C1	841686431	OXZCMOSPXMJOGQ-SNVBAGLBSA-N	364.311	4.546	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(C#N)cc2)c(C)n1-c1ccccc1F	915856290	KBZLMSJPOQCPNM-UNOMPAQXSA-N	369.399	4.895	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C2\COc3ccc(F)cc32)cc1	918154845	QIYPXXBQIZYGES-NIVDNSEKSA-N	350.393	4.647	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2csc3ccccc23)cc1	918589126	GEIMFFWTPQMYEI-LFIBNONCSA-N	362.454	4.523	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OC1CCCC1)c1ccccc1	920065516	UAFWTXMRVIDPEQ-FABDANFUSA-N	360.457	4.792	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccccc3C)o2)cc1	1317701669	RVRCHOYXXPZFGJ-AQTBWJFISA-N	371.392	4.832	50	20	FJGD	
N#C/C(=C/c1ncc(-c2ccccc2)[nH]1)C(=O)Nc1cccc2ccccc12	1318394941	NKPLUGAJGRTVEP-AQTBWJFISA-N	364.408	4.776	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(C)C)c(O)cc2C)cc1	155888353	OMQOWVKBYZPJGT-BOPFTXTBSA-N	364.445	4.768	50	20	FJGD	
Cc1ccc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)c(C)c1	210339242	UFUHYZCRBBAORM-RGEXLXHISA-N	352.484	4.918	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccc(OCCCC#N)c1)c1ccccc1	588558518	BBOVWJLVIQLOCY-BARSGRSVSA-N	373.456	4.544	50	20	FJGD	
COc1ccccc1[C@H](C)CC(=O)NNc1ccnc2cc(Cl)ccc12	729514798	ICVZJWFQJMMBEF-CYBMUJFWSA-N	369.852	4.534	50	20	FJGD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NNc1ccc(F)cc1	737068129	UZPKOESLSRDERF-SFHVURJKSA-N	369.465	4.806	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cnc3c(c2)c(C)nn3C)CC1	741468713	HHGOJVKBMYGPCG-YBFXNURJSA-N	364.493	4.749	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)C1(c2cccs2)CCCCC1	748796599	HZQGCLZVTLPFTO-UHFFFAOYSA-N	354.397	4.511	50	20	FJGD	
Cc1nc(-c2ccc(CNC(=O)NNc3ccccc3Cl)cc2)cs1	749207457	CUEAMDRGCCAUTJ-UHFFFAOYSA-N	372.881	4.598	50	20	FJGD	
Nc1c(Cl)cc(NC(=O)NNc2c(F)cccc2Cl)cc1Cl	753106917	JGWLWTDPQTUVON-UHFFFAOYSA-N	363.607	4.517	50	20	FJGD	
CCCc1c(C(=O)NNc2ccccc2Cl)cnn1-c1ccccc1C	760463116	NSHLAAJDCADEHJ-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(-c3cccnc3)c2)cc1	768467888	UWQHCZIXFGWMOK-STZFKDTASA-N	353.425	4.857	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(-c3cccnc3)c2)c1C	768468219	VDAINEJSXWXCMX-FYJGNVAPSA-N	353.425	4.911	50	20	FJGD	
O=C(NNc1ccccc1)Nc1ccc(OCc2ccccc2F)cc1	769994635	SPMJABDWFMEWOF-UHFFFAOYSA-N	351.381	4.553	50	20	FJGD	
C[C@@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)CCCCCl)c2)C1	788058864	BGMOZZAMYWWKKU-QAPCUYQASA-N	373.946	4.543	50	20	FJGD	
COc1ccc2c(c1NC(=O)CCCC[C@H]1CCSS1)CCC2	791125358	MCGOQTMZTJSQFW-AWEZNQCLSA-N	351.537	4.837	50	20	FJGD	
C=C(CBr)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1	791542225	MUTAVSMERDTYQH-UHFFFAOYSA-N	350.222	4.567	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(F)cccc1Br	794873955	DGLKTPNXDVRJHO-JXMROGBWSA-N	350.212	4.748	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(COc2ccc(C)cc2)n1	794875253	SKGNCMRMKYXVIL-XNTDXEJSSA-N	354.475	4.943	50	20	FJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)c1ccc2ncccc2c1	794884548	JETOVPXMGZTMBV-SFQUDFHCSA-N	353.356	4.712	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ncc(Cl)cc3Cl)cc2c1	811164493	UFIUFQHPWHOLFY-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
COC[C@H](C)[C@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	812861371	SHOWHFZSUOJESK-PKFCDNJMSA-N	369.836	4.763	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2cccc(Cl)n2)cc1)c1ccccc1	817010002	HZMBJVDVFKTULX-AWEZNQCLSA-N	367.836	4.632	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1OC	818260907	RQYPQRMWEMDDCV-UVTDQMKNSA-N	369.371	4.903	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCCCCC#N)c1C	914597876	LBQTXLOLIXULPB-ZHZULCJRSA-N	361.445	4.547	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)[C@@H](C)C2CC2)c1C	914841416	PFJZSMZAZJMOSP-NNIWKIFQSA-N	353.510	4.602	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/C=C\c3ccccc3[N+](=O)[O-])n2)cc1	915862860	PUNJJVSANAXCRF-KFKUOEFMSA-N	358.357	4.574	50	20	FJGD	
CCC(=O)NN=Cc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1	915916808	QDNALJFXCVUTNI-UHFFFAOYSA-N	369.421	4.679	50	20	FJGD	
O=C(Cc1ccc(F)cc1)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916350724	FEPNVNNKZDJJPX-UHFFFAOYSA-N	371.415	4.667	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F	1319467897	JTEJORUSROQGNG-PXNMLYILSA-N	361.401	4.894	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	16406879	BBZWLNRFOGQXFA-RIYZIHGNSA-N	358.781	4.720	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1csc(C2CC2)n1	175631870	FDNSRMMKBKUPJJ-UHFFFAOYSA-N	357.504	4.971	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)c(F)c1F	175843437	NISUIWYOKFLYEP-UHFFFAOYSA-N	369.557	4.821	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)c1nc2ccccc2[nH]1	588506656	AYCKTLICEHIQDW-AQTBWJFISA-N	352.397	4.698	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CSC)c2)c1C	731586842	MVOKPGINMMLHHS-UNOMPAQXSA-N	367.518	4.924	50	20	FJGD	
CC(=NNC(=O)c1ccc(NN=C(C)C2CCCC2)cc1)C1CCCC1	733077691	INBHERPWRPNYKY-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
Cc1ccc([C@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1[N+](=O)[O-]	752056277	UFIGIBUIGUDAKF-ZFWWWQNUSA-N	368.524	4.795	50	20	FJGD	
CC[C@@H](CC(=O)NNc1ccc(Cl)c(F)c1)c1ccc(OC)cc1	752147267	NSTXESDVCIOEAH-LBPRGKRZSA-N	350.821	4.515	50	20	FJGD	
Cn1cnc2cc(/C=C(/C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21	761198039	FRQFVYXUHDRWMM-IUXPMGMMSA-N	367.437	4.633	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)n1	777883710	CALUPRHEOTXLTK-GIDUJCDVSA-N	374.391	4.779	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc(Cl)cc(C(F)(F)F)c1	779012719	UYDCNGVSXRWLLG-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
N#C/C(=C/c1ccc2ccc(Br)cc2n1)C(=O)C1CCCC1	781553526	ALXXBBBGQWFUAS-ZROIWOOFSA-N	355.235	4.664	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cc(F)ccc1Oc1ccccc1	787311598	WPBSZTHBLTYZLK-VBKFSLOCSA-N	374.371	4.869	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@H](N3CCCC3)C2)cc1	788014855	CIDVFDHZYHQTTL-OAQYLSRUSA-N	374.645	4.879	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Br)cc1C(F)(F)F	794865430	IOVFUATUDKVRPG-POHAHGRESA-N	360.173	4.990	50	20	FJGD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)CCCC[C@@H]2CCSS2)cc1	798008332	KQHRUIAJAQXOEB-FGTMMUONSA-N	365.564	4.772	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](c4cccnc4)C3)cc2C1	799871778	DWDBXWSTVWWXRD-HUUCEWRRSA-N	367.518	4.712	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Cl)c2ncccc12	801175952	LPPRRJVEQBFUCS-UHFFFAOYSA-N	351.837	4.524	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cscc1C(F)(F)F	811637653	GOVIFZJTNGEODC-UHFFFAOYSA-N	362.376	4.613	50	20	FJGD	
CNC[C@H]1CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841180072	WSFZCZASMDCMRL-LLVKDONJSA-N	359.364	4.560	50	20	FJGD	
C[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1CN	841191221	WEXQXOMAKJXEHX-ZWNOBZJWSA-N	373.391	4.935	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)cc1F	856230459	QTOHGYPRPABCBY-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C1(c2ccccc2F)CCCC1	912639369	PWPGQJAMTRILCC-UHFFFAOYSA-N	366.358	4.800	50	20	FJGD	
C[C@H](C=NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1	916294350	AEZAABAJRRGQOX-GOSISDBHSA-N	358.441	4.638	50	20	FJGD	
CN(C)C1(CNCc2cccc(S(F)(F)(F)(F)F)c2)CCOCC1	921741802	ILBDJXSNFISFCD-UHFFFAOYSA-N	374.419	4.544	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccn2)cc1	25198095	YIMVFZBXBIKYTI-XMHGGMMESA-N	369.424	4.515	50	20	FJGD	
CN1/C(=C/C=C(\C#N)C(=O)Nc2ccccc2F)C(C)(C)c2ccccc21	34737170	ZYPWIKNESGKFPK-HIBZGYDWSA-N	361.420	4.526	50	20	FJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl	53102864	HIAWWVSWTJWUIL-YCRREMRBSA-N	368.201	4.509	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)c(C)c1	78161748	BZOPOWGGUWQKQM-DHDCSXOGSA-N	353.491	4.912	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(F)c(F)c1	155178542	DRBPLHXYWAZKAL-UHFFFAOYSA-N	360.429	4.844	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)ccc1[N+](=O)[O-]	180571349	DNSFIDISHHITNV-MOSHPQCFSA-N	371.396	4.941	50	20	FJGD	
CC(C)Oc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	727778588	BBTXQTTVVJBDPJ-UHFFFAOYSA-N	351.233	4.545	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](c2ccccc2F)C1	730553417	ZPLIAIJROOXNLS-HUUCEWRRSA-N	353.528	4.856	50	20	FJGD	
C[C@@]12CC3CC(C(=O)NNc4nccc5sccc45)(C1)C[C@](C)(C3)C2	734247113	UXTBBFSKYJRIBG-GOSFSIBNSA-N	355.507	4.736	50	20	FJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1nccc2sccc12	734250177	PDDHNFUNWSPQMX-JTQLQIEISA-N	363.895	4.574	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CC)c2ccc(F)cc2F)cc1	737936067	NAFTYTHONRBXOY-UMDONVSZSA-N	370.399	4.538	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1cccc2ccccc12	741465540	OURCCNGGOAUUBN-UHFFFAOYSA-N	373.239	4.919	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)ccc1OC	741474829	ZVSCEBZWURIMFM-FBKCMUNRSA-N	362.433	4.516	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(OCC(F)F)cc1	748437714	XQOYOPZFRZIXSL-CQSZACIVSA-N	361.479	4.983	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccn1Cc1cccs1	752811587	YKFNTTVTVBSVDZ-UHFFFAOYSA-N	366.273	4.662	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3c(F)cccc3Cl)ccc2c1	770191853	ZULUUMRZNUNDLK-LBPRGKRZSA-N	372.827	4.888	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	771697902	UJVGQNNXGLWMKY-UHFFFAOYSA-N	360.392	4.506	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(c2ccc(Cl)cc2)CCCC1	776643125	CEBAMNLUDZYQKA-SSZFMOIBSA-N	366.848	4.538	50	20	FJGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccc2ccccc2n1	777465222	DZUPCLPLONKIJM-QGZVFWFLSA-N	370.456	4.597	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1)c1ccccc1	787142093	RNNHHNPVHXLHOC-QMJOVRGKSA-N	354.837	4.523	50	20	FJGD	
COc1cc(NNC(=O)C(C)(C)c2cccc(Cl)c2F)ccc1Cl	790175461	JGBCHXXZVHBDMM-UHFFFAOYSA-N	371.239	4.562	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2SC)cc1	799741581	PCJULIFXSDNXGO-SUCHYCSPSA-N	366.486	4.592	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccsc2)c(C)n1CC(C)C	801017439	XVKDJBUVIUPIEW-HBFFOVPNSA-N	355.507	4.607	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccc(OCCCCl)cc2)ccc1[N+](=O)[O-]	811694053	PKHQCTCBIOGARW-LFIBNONCSA-N	372.808	4.675	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812247185	ZZWRHJAXBXLKKP-GDNBJRDFSA-N	368.362	4.967	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(O)ccc1C(F)(F)F	812770311	MJHXHHRHJILSBF-UHFFFAOYSA-N	352.356	4.600	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1coc(-c2cccs2)n1	812770357	OOCPBLKDHHYXBP-UHFFFAOYSA-N	355.463	4.521	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)cc2F)cc1	920157171	NJEYZORYHZCZKT-OJNRTJSBSA-N	357.356	4.575	50	20	FJGD	
CC(C)(C)c1ccc(C2(C(=O)NNc3cccc4cnccc34)CC2)cc1	1326233945	CEBZMVZHQFVTGG-UHFFFAOYSA-N	359.473	4.707	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(COc3ccccc3C#N)c2)c1	159036592	NWWFCPNTOZZYPS-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1Nc1ccccc1	185879744	MYINLJMLVICBPD-SAPNQHFASA-N	355.397	4.681	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)CCCc3ccccc3)cs2)cc1	727685081	YZBSLZXXEHJDFS-UHFFFAOYSA-N	363.486	4.592	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNC(=O)c3ccccc3)sc2c1	732626817	QECCGFPKSYHZFY-UHFFFAOYSA-N	372.877	4.753	50	20	FJGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1sc2ccccc2c1Cl	744743621	UICAWVLQFXNEKJ-UHFFFAOYSA-N	367.861	4.729	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(Cl)cc3Cl)on2)cc1	748018428	BLKMIXNLUPHOOO-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
COc1ccccc1C1(CNC(=O)CCCC[C@H]2CCSS2)CC1	749636984	WTRCZQIYPRGPJH-HNNXBMFYSA-N	365.564	4.557	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CC(F)(F)C1	753634174	ISHZTBXHCZJRBY-NSHDSACASA-N	359.747	4.890	50	20	FJGD	
CC(C)CCn1ncc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1C(C)C	754756083	CZHPOXALSKXKLW-BOPFTXTBSA-N	368.456	4.737	50	20	FJGD	
CC[C@H]1CCCC1=NNC(=O)c1cccc(NN=C2CCC[C@H]2CC)c1	758363875	YGIXCFMWORYVMD-CVEARBPZSA-N	354.498	4.961	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2Br)c1C	767718236	RGPCJASATQRCOR-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
Cc1cnccc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	769842738	IIQRDRBBGNWIOV-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773235531	GFEFCYHVPFOGED-BXKDBHETSA-N	372.359	4.587	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3csc4ccccc34)c(C)cc2c1	778479296	UIYGRHUDXXBDLV-UHFFFAOYSA-N	363.442	4.523	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)Nc1ccccc1Cl	788099652	SBDPVMLOIIPLEF-FLIBITNWSA-N	355.806	4.602	50	20	FJGD	
CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCCCCl)cc2)cc1	811692413	AGFUWQJIWQNJTF-LFYBBSHMSA-N	357.837	4.549	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)cc2)c1	815849941	SCRQLKLUPTWTLR-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC3CCCC3)c2)cc1	917517030	JRTPMLASYBGLMT-LGMDPLHJSA-N	362.429	4.562	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	1325940652	PLWGZEXDCIYLFE-SDQBBNPISA-N	361.184	5.000	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccsc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776130808	XHLPZEGTRDUCKD-WQRHYEAKSA-N	374.421	4.659	50	20	FJGD	
CC[C@](C)(CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776686059	ZAONQLSGWRJAIN-LJQANCHMSA-N	351.563	4.661	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OC	51074659	HYKUBDZXAUSSKH-JYRVWZFOSA-N	353.809	4.688	50	20	FJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3cccc(Cl)c3)c2)cc1	103067274	LCLJPDJKAFMYLN-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3ccc(C)s3)cs2)c1	105570784	LKJBVFXWCNIERZ-ZSOIEALJSA-N	366.467	4.979	50	20	FJGD	
CCc1nn(C)cc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186819389	RYFRBVMHBBHFCH-UHFFFAOYSA-N	355.332	4.892	50	20	FJGD	
CC(C)c1c(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cnn1-c1ccccc1	191525387	YSNJNHFJQFRBTC-ATVHPVEESA-N	374.419	4.680	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(OCc2ccncc2)cc1	193347570	IJRFOEDVDBEGNE-PDGQHHTCSA-N	360.438	4.820	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	301219035	WSRFLYRZHPALRU-UHFFFAOYSA-N	352.356	4.641	50	20	FJGD	
O=C(COc1ccc(-c2ccccc2)cc1Cl)NNc1ccccc1	302529779	FZAGQOVWQCTDQE-UHFFFAOYSA-N	352.821	4.529	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)c1cnc2ccccc2n1	588580896	UEXHPOPRPFZTJE-GHXNOFRVSA-N	357.747	4.949	50	20	FJGD	
CC(C)CC[C@H](NC(=O)NNC(=O)CC(C)(C)C)c1ccc(Cl)cc1	728749064	DMRAUPLNCBCWCK-INIZCTEOSA-N	367.921	4.584	50	20	FJGD	
CSC[C@@H](C)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	736955429	HJYWEVXKMDDPJR-KCJUWKMLSA-N	372.865	4.779	50	20	FJGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1cnc2ccsc2c1	739411307	HDWXKKILRXZELV-UHFFFAOYSA-N	359.454	4.532	50	20	FJGD	
CC[C@H](C)OCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	752784739	BWJHVDWDPGPMJU-TVQRCGJNSA-N	355.809	4.660	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1cc(Cl)ccc1Cl	752811699	ZTNMXNFXCPWUDX-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CC(C)(C)OC1CC(CCNC(=O)NNc2cc(Cl)ccc2Cl)C1	764509975	UIRRBQKURUVSIJ-UHFFFAOYSA-N	374.312	4.603	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(CCC(F)(F)F)c1	775666806	KQAWFXSORYRCTB-UHFFFAOYSA-N	374.366	4.878	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccccc1CCC(F)(F)F	775669307	BCMHIJPKBLPBGV-UHFFFAOYSA-N	357.763	4.984	50	20	FJGD	
CC(C)(C(=O)NNc1nccc2sccc12)c1cccc(Cl)c1F	776148093	PNPGXDBDJYISJW-UHFFFAOYSA-N	363.845	4.510	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)c1ccc(OC(F)F)cc1	776257394	KXCURNMMYYYPML-JYRVWZFOSA-N	365.282	4.679	50	20	FJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1)C(C)C	780803546	IBSWOTZRVBXMRE-UHFFFAOYSA-N	367.537	4.971	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(C)c(Cl)c2F)ccc1Br	790001358	YHUOPOLBFRNQLQ-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNc1cc(Cl)cc(Cl)c1	790603443	HIHPUVJBVGWOHC-UHFFFAOYSA-N	366.252	4.570	50	20	FJGD	
CSSCCNC(=O)c1sc2cc(Cl)ccc2c1Cl	791099423	IDAFSJPFPQFAKL-UHFFFAOYSA-N	352.333	4.949	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1c(-c2cccc(Cl)c2)noc1C	795269932	AVWASSAPRPLBDB-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
CC(C)c1ccc2c(Cl)c(C(=O)NNc3ncccc3F)sc2c1	804218897	KRVMDHNTHDOPAR-UHFFFAOYSA-N	363.845	4.969	50	20	FJGD	
O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(OCCCCl)cc2)c1	811483781	KXPWPQRMGIIHMT-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
C[C@@H](NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)c1ccn(C)n1	839194426	PBOCRJJDZLVBID-MRXNPFEDSA-N	359.590	4.793	50	20	FJGD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC[C@@H]1CCSS1	854511373	SMCHEDXOQZDKMW-CYBMUJFWSA-N	354.497	4.864	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2cccc3ccccc23)cc1	915200492	DCKBSCQCQYLLFD-LTGZKZEYSA-N	370.452	4.504	50	20	FJGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	917547419	SJMBRSBZJYAZLA-UHFFFAOYSA-N	367.792	4.555	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)cc1	1776697771	SBYUTWVLCCAJHI-ATTDUZETSA-N	366.392	4.583	50	20	FJGD	
Cc1cccnc1[C@H](NC(=O)CCCC[C@H]1CCSS1)C(C)C	115406630	ITQGNZPIHOWRPH-DOTOQJQBSA-N	352.569	4.917	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2oc3ccccc3c2COC(C)C)c1	127576813	GHOGRUVCFHNEQO-UHFFFAOYSA-N	352.434	4.732	50	20	FJGD	
Cc1ncccc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	170988493	OCHBVCIAJYZYOZ-CQSZACIVSA-N	360.788	4.862	50	20	FJGD	
CCC(=O)N1CC[C@@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	186053584	QLBXXIMAKQODTH-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NCc2cn3cccnc3n2)c1	186154610	BWLRPVCBLBPQIY-UHFFFAOYSA-N	350.316	4.999	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccn2)c1	209907891	GEBAVPFLWROJSA-RGEXLXHISA-N	369.424	4.515	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2OC)cc1	211682721	UTBIREYABLURQG-BRYHAGSVSA-N	364.445	4.763	50	20	FJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1	213118698	UPEQBNIWKYNGTJ-SDXDJHTJSA-N	364.445	4.810	50	20	FJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1	741468130	FQLUTSMMSFXPIL-CYVLTUHYSA-N	360.457	4.718	50	20	FJGD	
Cc1cccc(O[C@H](C)CNC(=O)CCCC[C@@H]2CCSS2)c1	742118506	KIDYAAWBOVXMKC-NVXWUHKLSA-N	353.553	4.593	50	20	FJGD	
CCc1cc(SC#N)cc(C)c1NC(=O)CC1(CC(=O)O)CCCCC1	743413316	BVIVYVNBDXKDKD-UHFFFAOYSA-N	374.506	4.884	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Cl)nc2ccccc12	748573548	CFKCGKGFZAUCJI-UHFFFAOYSA-N	351.837	4.524	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1sccc1C(C)C	753179323	ZTLDZWBAPSQLHF-UHFFFAOYSA-N	367.312	4.953	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)c2ccccc2F)cc1Cl	753888898	FNCOCCQFHXJGOP-IZZDOVSWSA-N	350.176	4.931	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OCc1ccccc1	758913628	RWLNNXSYJPLEOW-UNOMPAQXSA-N	357.413	4.518	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Cl)oc3ccccc23)cc1	761177028	QZHSNTPTDCARGU-ZRDIBKRKSA-N	352.777	4.640	50	20	FJGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	761591288	KKKSTKURKCZKQK-CYBMUJFWSA-N	352.356	4.531	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Br)cc3c2OCC3)s1	764884581	FUVPJXDWBXGOSW-MLPAPPSSSA-N	374.259	4.544	50	20	FJGD	
Cc1cccc([C@H](NC(=O)NNc2c(C)cc(C)cc2C)c2ccccn2)c1	766264440	NUWQVZJDZABTDM-QFIPXVFZSA-N	374.488	4.731	50	20	FJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(F)cc1Cl	767754498	IOTDCANQDLOVIJ-ZDUSSCGKSA-N	370.811	4.550	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cn(CCCC#N)c3ccccc23)cc1	768184610	IOJWDKAXGRLMSX-UHFFFAOYSA-N	374.488	4.999	50	20	FJGD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNc1c(C)cccc1F	771140195	FZZUCMFGQYGIBJ-UHFFFAOYSA-N	372.444	4.576	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	774559453	RZLFTKGXTZGJNY-BOPFTXTBSA-N	350.374	4.541	50	20	FJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ncc(Cl)cc1Cl	775266589	XTRHAXIXUDVMBL-TWGQIWQCSA-N	356.640	4.588	50	20	FJGD	
CCc1nc2cc(NC(=O)NNc3cccc(C(F)(F)F)c3)ccc2o1	775624389	CDHYSDUIDZIKTI-UHFFFAOYSA-N	364.327	4.558	50	20	FJGD	
Cn1ncc(Cl)c1/C=C(/C#N)c1nc2cc(C(F)(F)F)ccc2s1	780188102	XPVABUKIEDOUMH-YWEYNIOJSA-N	368.771	4.766	50	20	FJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2ccc(C#N)c(Cl)c2)c1	790019812	JAEDEONFEJGCHX-AWEZNQCLSA-N	371.868	4.637	50	20	FJGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1cc(Cl)cc(Cl)c1	791733450	LXUBMJMIEOFKOX-FPLPWBNLSA-N	358.228	4.698	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2cc(Cl)ccn12)c1nc2ccccc2[nH]1	794692897	YSUQTFLPZRGOTD-JXMROGBWSA-N	354.200	4.582	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cscc1Br	802829072	MAIHEZFLCIMJIS-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)Nc1ccc(Cl)cc1Cl	811686522	XNKGROHRBKEFIF-WDZFZDKYSA-N	360.175	4.550	50	20	FJGD	
CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(OCCCCl)cc2)cc1	811692415	AGFUWQJIWQNJTF-XGICHPGQSA-N	357.837	4.549	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1cc(-c2ccccc2)ccc1Cl	817010853	UCGCCKLHNFRCKZ-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	817889808	MOAQOTVEGFXDHI-CVEARBPZSA-N	365.260	4.639	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cnc(-c2ccccc2)nc1	858800834	VTSFDFZFGUENOT-INIZCTEOSA-N	359.520	4.796	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)c1	921262183	RPUOCQNHVFSENP-AWNIVKPZSA-N	362.212	4.800	50	20	FJGD	
CC(C)C[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776319221	YERNMMKESRJVEM-QGZVFWFLSA-N	351.563	4.660	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1ccc(/C=C\C(=O)O)cc1	1776384100	MNCIZPQZUXJXGP-RJSGAIQGSA-N	357.413	4.779	50	20	FJGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)s1	22841333	RNFZEBGNSHQRBC-WYMLVPIESA-N	374.893	4.518	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(OC(F)F)cc1	105007861	WNFSKACVFFRCOM-CQSZACIVSA-N	361.479	4.618	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(C2SCCCS2)cc1	126980985	RRJCDOJMWQJYET-UHFFFAOYSA-N	364.923	4.966	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1	150790562	PBUMMHKQLFONOO-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
COc1ccccc1[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	150805475	MMUBVALCOSVAIO-CVEARBPZSA-N	365.564	4.725	50	20	FJGD	
CS(=O)(=O)NNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1	160191830	DILJRBMFFCGDIV-MRXNPFEDSA-N	306.343	0.724	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2ccccn2)ccc1Cl	184318276	WANGTIIAERSFGP-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2C)c1OC(F)F	212136968	YXLQGOIGGKMLLI-PTNGSMBKSA-N	357.356	4.785	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3)c2)c1C	212636460	IHIQUOXTAAHNRU-MTJSOVHGSA-N	372.472	4.550	50	20	FJGD	
O=C(NNc1ccccc1)c1csc(-c2ccc(Cl)c(Cl)c2)n1	732265568	ALOYTJWTTSKPQH-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1ccccc1C(F)(F)F	743416080	KXYXOBPYYSZXIW-JTQLQIEISA-N	365.380	4.562	50	20	FJGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1cccc2cccnc12	747357310	MYWKAISBXVFQFL-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)no3)cc2c1	763277050	LJFMJWBRVLUBTB-WJDWOHSUSA-N	357.369	4.864	50	20	FJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2ccc(F)c(F)c2F)C1	767084641	SPDTUFOJLIEKGS-KBPBESRZSA-N	372.431	4.703	50	20	FJGD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)CCCC[C@H]2CCSS2)c1	775823913	YZNGVMJKUAKUNI-BZSNNMDCSA-N	365.564	4.772	50	20	FJGD	
C[C@H](C(=O)NNc1ccc2ccccc2n1)c1c(Cl)cccc1Cl	777464367	KUHQYZBMRCBAAT-NSHDSACASA-N	360.244	4.788	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(OC)c1	782352129	QGEYTLGWFFXKBI-NTEUORMPSA-N	358.781	4.720	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2F)c(Cl)c1C	783590624	ZJAPMMDYSYCNKS-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1	785379095	WEPBLDOINOEIAV-MHWRWJLKSA-N	364.788	4.645	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl	787145018	OEOABKNBLABVGM-IYVNWDGISA-N	370.239	4.649	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2cc(Cl)ccn12)C(=O)c1cccc(F)c1	794713626	NSVUXAUSYPJUFB-YRNVUSSQSA-N	360.175	4.570	50	20	FJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1cccc(C#N)c1	799478523	IHCIUYVPXRQBRM-UHFFFAOYSA-N	358.445	4.513	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnc(C(C)(C)C)nc1	808077292	BESJWSPCGUHTDS-UHFFFAOYSA-N	368.506	4.724	50	20	FJGD	
CCCc1nc(C)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)o1	814189347	BHWDTRIIVPUXQO-UHFFFAOYSA-N	362.644	4.653	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1	837057683	DYKDVMPWNDUFSX-UHFFFAOYSA-N	369.465	4.914	50	20	FJGD	
Cn1cc(C(=O)NNc2cccc(Cl)c2Cl)c(C2CCCCC2)n1	838343217	KZKSNHDQVCLKJH-UHFFFAOYSA-N	367.280	4.532	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1csc(C2CCCCC2)n1	839710319	WTEFCTUHUWFLGE-UHFFFAOYSA-N	367.421	4.549	50	20	FJGD	
Cc1ccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1	912596845	ZEDKWRQZCFTQLT-UHFFFAOYSA-N	372.428	4.506	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc2ncccc2c1	916140233	HCCBTNLCWSAGQX-XSFVSMFZSA-N	355.441	4.905	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1320736061	DFEHTDXEFQODNX-UKTHLTGXSA-N	370.257	4.943	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3cc(C)cs3)o2)c1C	1331827038	NIZZKALLUKPNKC-SXGWCWSVSA-N	352.463	4.999	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([N+](=O)[O-])cc1	6221897	DEMIUEALBQKMID-PTNGSMBKSA-N	361.313	4.827	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2csc([N+](=O)[O-])c2)cc1	68723275	KXYJTLJGKIFFTG-DHDCSXOGSA-N	355.419	4.545	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(N(C)C(C)C)nc1	190235264	PVKKLKHTDZYNRE-GZTJUZNOSA-N	358.445	4.506	50	20	FJGD	
O=C(NOCc1cccnc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192260353	HBUPTLPEWRZQTQ-UHFFFAOYSA-N	369.315	4.992	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1OCC(C)C	212683011	CGCCAGSPBIOXOX-YBEGLDIGSA-N	353.393	4.659	50	20	FJGD	
CO[C@](C)(C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	730158046	ZVJXFCFJAUMKPG-INIZCTEOSA-N	373.667	4.652	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)C3CCCCC3)s2)cc1	730557712	OPMLHAIQGXSSPR-UHFFFAOYSA-N	371.506	4.692	50	20	FJGD	
CN1CCCN(C(=O)CCCC[C@@H]2CCSS2)c2ccccc21	737867760	BQLKPCUBVBLXCH-OAHLLOKOSA-N	350.553	4.574	50	20	FJGD	
O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1ncccc1Cl	743412300	DXSYKAONZZXBIP-SFHVURJKSA-N	365.864	4.595	50	20	FJGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1ccccc1C(F)(F)F	743416082	KXYXOBPYYSZXIW-SNVBAGLBSA-N	365.380	4.562	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cnc(-c3ccccc3F)s2)c(C)c1	743765235	IWLGGQMELXJXMV-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1	747988147	SSWZYCMQANFZHE-IBGZPJMESA-N	352.821	4.603	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cccc(C#N)c3)c(F)c2)cc1C	748050037	WHERUVIXIBPQEN-UHFFFAOYSA-N	359.404	4.738	50	20	FJGD	
CC[C@@H](C)OCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	752784729	BWJHVDWDPGPMJU-NOZJJQNGSA-N	355.809	4.660	50	20	FJGD	
C[C@@H](Cn1cccn1)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981778	UFKNVGBPDFPKBP-JTQLQIEISA-N	370.347	4.751	50	20	FJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccc(Br)cc1	759659201	MPBLPHMDIVYHIY-LUAWRHEFSA-N	365.658	4.649	50	20	FJGD	
CN(CC1(O)CCC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762977776	FEZGIJRSBJNTMG-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)c1ccc(F)c(Cl)c1	773155761	ZHYCGTDUIVBXSF-JYRVWZFOSA-N	354.743	4.956	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cc(Br)c(Cl)s2)ncn1	773177801	YNDMALPRCUCORS-FARCUNLSSA-N	372.700	4.740	50	20	FJGD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773235537	GFEFCYHVPFOGED-SKDRFNHKSA-N	372.359	4.587	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)Nc1ccccc1Cl	779359304	OFHNQUQZNHPTMT-YFHOEESVSA-N	352.608	4.587	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1csc(-c2ccc(Cl)cc2)n1	792635849	OCIFTLXAZGSJPK-DHDCSXOGSA-N	366.895	4.543	50	20	FJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1ccc(C)cc1O	799477569	VGFWKSDAKKKUEB-UHFFFAOYSA-N	363.461	4.656	50	20	FJGD	
Cc1ccc(NCc2ccc(OCCCCl)cc2)cc1C(=O)NC(C)C	811470634	ITJIFQXQJPHOOJ-UHFFFAOYSA-N	374.912	4.753	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnc(C)c(Cl)c1Cl	812766315	DQQIAUJOWKYKIU-UHFFFAOYSA-N	352.265	4.886	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1csc(-c2ccc(Cl)cc2)c1	817005754	HFBRXYRAZXTDDT-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)cc1	817896299	SXRNBWCPGMZJOD-MRXNPFEDSA-N	355.482	4.607	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H]([C@@H]2CCCCO2)C1	855952165	SGTOHIZYCBKJJE-BBWFWOEESA-N	357.585	4.508	50	20	FJGD	
O=C(CNc1ccccc1)NN=Cc1c2ccccc2cc2ccccc12	915918768	LFPIWFYBTHHZRU-UHFFFAOYSA-N	353.425	4.555	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccsc1	915989791	NFNLWPVZIHOQRN-SXGWCWSVSA-N	367.861	4.745	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1	916979202	XBQCNXCDMVRVDI-GFCCVEGCSA-N	353.249	4.521	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(N)c4ccccc4n3)o2)cc1	1317877858	RCODOONTKNNLJU-VBKFSLOCSA-N	352.397	4.845	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1	1334867697	JUWOMICHMCXDTG-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	112561847	DKCRSJIOKJZKPI-JYRVWZFOSA-N	368.339	4.568	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(C)C)c(O)cc2C)cc1	178948039	OMQOWVKBYZPJGT-GZTJUZNOSA-N	364.445	4.768	50	20	FJGD	
C=C(C)CN(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	181542930	WZYNPXKEAKWJAV-GFCCVEGCSA-N	352.809	4.946	50	20	FJGD	
CCC(C)(C)CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	194435793	WKBZFVGBYNBHIV-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	255660372	GAKOYKNTYYTHCQ-GDNBJRDFSA-N	374.412	4.693	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1	302897314	LGHRDSGYTLAURK-ZROIWOOFSA-N	351.362	4.922	50	20	FJGD	
C=CC[C@H](C)C(C)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	727776900	HHSHKARMRUYDKT-NSHDSACASA-N	361.898	4.969	50	20	FJGD	
O=C(NN=Cc1cccc(Cl)c1)c1ccc(Br)cc1Cl	728782220	FZXKFMHSMQSEPI-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730521392	FIIVYAHKPYUGIJ-KGLIPLIRSA-N	355.652	4.894	50	20	FJGD	
COc1cc(C(=O)NN=C(C(C)C)C2CCCCC2)ccc1OC(C)C	733906229	BEQWFARHUFTNCH-UHFFFAOYSA-N	360.498	4.805	50	20	FJGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1ccc2ccccc2n1	744526115	KGZULHNRFXYINL-UHFFFAOYSA-N	365.845	4.867	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccc(Oc2ccccc2)c1	746707114	XJPIGWIVCIDRSJ-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](C)n1nc(C)cc1C	748668153	XQCJKQUBAHSDIC-OAHLLOKOSA-N	370.522	4.788	50	20	FJGD	
COc1ccc(NNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)cc1	749529791	AXWAGUZPRGCTCE-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
O=C(NN=Cc1ccc(C(F)(F)F)s1)c1c(Cl)cccc1Cl	761808057	MVNNCWAMHOXLIV-UHFFFAOYSA-N	367.179	4.838	50	20	FJGD	
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517501	KZIWDHDMZRSRKT-UHFFFAOYSA-N	371.287	4.843	50	20	FJGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNc1c(Cl)cc(F)cc1Cl	767407720	YMAKILGBXUQQHC-RQOWECAXSA-N	364.207	4.770	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1OCC(C)C	772171450	IHSWHBXAPFHBLU-MFOYZWKCSA-N	353.393	4.659	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	773147082	ZITWMRWPWNFNLZ-WDZFZDKYSA-N	366.223	4.779	50	20	FJGD	
Cc1cc(C(=O)NNc2ccnc(F)c2)c(C)n1-c1cccc(C(C)C)c1	781358215	CYBQLRBODIPUAT-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccccc2C(F)(F)F)ccc1Cl	788540873	PKIVHKOWBFZHTB-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)c1ccc2ncccc2c1	789159355	LVTUDQXNLNQJEO-GDNBJRDFSA-N	357.394	4.741	50	20	FJGD	
CCc1nnc(-c2ccc(NC(=O)NNc3ccc(C(C)C)cc3)cc2)o1	836437434	CVWWOODIPDICFD-UHFFFAOYSA-N	365.437	4.571	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(Br)cc1F	915989724	GOZCBWSSLNFMQM-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2F)c1C	1318808793	JJWZFDYQTHRFSM-LICLKQGHSA-N	373.859	4.531	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2c(F)ccc3sc(C(=O)O)cc23)sc1C	1777489212	AQGSFPBKBZDALG-YHYXMXQVSA-N	358.419	4.876	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12	17475761	HYVXGDKBOBHFAF-GHRIWEEISA-N	353.381	4.693	50	20	FJGD	
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)O)cc2[N+](=O)[O-])cc1	23718544	XNHPVOAVNXDPQS-GXDHUFHOSA-N	366.373	4.676	50	20	FJGD	
COc1ccc(CN(C)C(=O)CCCC[C@H]2CCSS2)cc1C	103091709	KTBPROMDOKWCTI-INIZCTEOSA-N	353.553	4.676	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)nc1	103277086	PWMCUFMHKWUUQL-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccccc3C)sc2C)cc1	120298975	OEGHKTTVHFRERT-UHFFFAOYSA-N	352.459	4.797	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)C(=O)c1ccccc1F	209908748	KDJDMINIXTVXBC-LGMDPLHJSA-N	358.372	4.590	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	211327601	RYDZPHLNJWFPQP-SDNWHVSQSA-N	371.223	4.551	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(-c2ccccc2Cl)o1	734248196	NKAWIRBLRDKSRC-UHFFFAOYSA-N	369.833	4.967	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)s2)cc1	734304599	PIMDJAXZGWIOCH-PXNMLYILSA-N	374.421	4.637	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743455665	QIFSOZSZUGRRGW-RYUDHWBXSA-N	357.187	4.518	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cc(Cl)ccc2Cl)c1	744569425	BZVAKTAYWWMMRS-QPEQYQDCSA-N	362.212	4.652	50	20	FJGD	
O=C(NN=Cc1cc[nH]c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	745192877	UXZSTUNNQPFNSW-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
CN(Cc1ccccc1C(F)(F)F)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750034948	CSBMVFLSEQOKKW-LICLKQGHSA-N	361.323	4.610	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	750797325	ZFGSQSDZOISBDJ-RAEBXZQASA-N	360.791	4.556	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccccc2C2CC2)c(C)n1-c1ccccc1	751131140	KZAIDROZJSBNFE-UHFFFAOYSA-N	357.457	4.735	50	20	FJGD	
CC[C@@H](CC(F)(F)F)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	760765245	QBQNFDIUNSOFQH-BDBSJLECSA-N	369.431	4.515	50	20	FJGD	
CC(C)Cn1ccc2c(C(=O)NNc3ccc(OC(F)F)cc3)cccc21	772426910	HYWSNGWOUIVQSI-UHFFFAOYSA-N	373.403	4.656	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)c1ccccc1OC(F)F	775639425	PFDVXOXRRSVLOU-CSKARUKUSA-N	351.711	4.870	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)c(Cl)c1	776256255	COISZKYEOOAOBW-MDWZMJQESA-N	363.747	4.740	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)c1nc(-c2ccccc2)no1	787170666	ZXKYTFSRLDGRFV-HRBPJWPPSA-N	358.357	4.655	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3c[nH]c4cc(C)ccc34)sc2c1	788691637	ZPFIRXRQJVTEIB-MDWZMJQESA-N	373.437	4.885	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccnc(Cl)c2Cl)c(C)c1	791435836	XSCQZYGIDREHLH-RIYZIHGNSA-N	360.244	4.859	50	20	FJGD	
C[C@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(C2CCCCC2)no1	808747086	ZRUOBEDUEKNOGU-AWEZNQCLSA-N	353.583	4.790	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cscc2C(F)(F)F)ccc1[N+](=O)[O-]	811693208	HROFPDIDOZWLFM-WMZJFQQLSA-N	354.309	4.748	50	20	FJGD	
CCC(=O)c1ccc(O)c(NC(=O)CCCC[C@H]2CCSS2)c1	812705315	YEWGGOWZSNUYGM-ZDUSSCGKSA-N	353.509	4.638	50	20	FJGD	
Cc1ccccc1-c1nnc(SCCO[Si](C)(C)C(C)(C)C)n1C	821064372	XROFMYUZDWTYPW-UHFFFAOYSA-N	363.603	4.904	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	834307635	CJOSUSUEJONZOS-BBWFWOEESA-N	369.596	4.508	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NNc2ccccc2)c(C)n1C1CCCCC1	868090213	DNBNKTFNVGUTPR-XMHGGMMESA-N	362.477	4.660	50	20	FJGD	
O=C(/C=C\c1cccnc1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558892	KEQCONANZYJRAV-ZPIQOJFGSA-N	372.799	4.953	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCCOc2ccc(F)cc21	919706151	GDTJAVFZMLZHMG-GDBMZVCRSA-N	369.527	4.870	50	20	FJGD	
Cc1nn(CCCl)c(C)c1-c1nnc(-c2ccc3ccccc3c2)o1	1326081127	PLBLOAPYESGUDU-UHFFFAOYSA-N	352.825	4.609	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3ccc4ccccc4n3)o2)cc1	1326484120	LJMFYFTXSXCGMQ-LGMDPLHJSA-N	368.396	4.748	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)c1	96669740	YXEUDXVFCZBHDU-ODLFYWEKSA-N	360.413	4.545	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(C(F)(F)F)cs1	97260872	IUHXNXIHXFSRAP-MRVPVSSYSA-N	356.460	4.815	50	20	FJGD	
Cc1ccc(CN(C)C)cc1NC(=O)CCCC[C@@H]1CCSS1	177360300	OHSQVLIYVQRYJS-MRXNPFEDSA-N	352.569	4.709	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1sc2ccccc2c1Cl	178523116	XBFNRVPFUXJSLQ-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
CCOCCO[C@@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180332435	HZJRINLXPWUOMC-JTQLQIEISA-N	363.348	4.724	50	20	FJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	211581879	WLZTTXGZMMNISQ-RAXLEYEMSA-N	361.228	4.938	50	20	FJGD	
Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	363998627	IKBADJNIJRUCMN-QWHCGFSZSA-N	367.343	4.820	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1F	727654682	PYWBXYOXAFZRHH-XYOKQWHBSA-N	363.219	4.988	50	20	FJGD	
Cc1cccc(NNC(=O)CCCOc2cccc(Cl)c2Cl)c1	731784496	WHBWIWRIDMEZCY-UHFFFAOYSA-N	353.249	4.604	50	20	FJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2cc(F)c(F)cc2F)cc1	738541603	BWZBHRSHZDDHKG-LBPRGKRZSA-N	350.384	4.864	50	20	FJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3ccc(Cl)cc3F)s2)cc1	747646400	QBCARESWVLFVTF-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
O=C(NNc1cccc(F)c1)/C(=C\c1ccc(F)cc1)c1cccs1	748090278	KVSZCNJOPVOCMN-BOPFTXTBSA-N	356.397	4.710	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cccc2[nH]c(-c3cccs3)nc12	759970465	HJXKYVZHPOFQNC-UHFFFAOYSA-N	368.849	4.702	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCC2)s1)c1nc(-c2ccncc2)cs1	760265950	QQMHMDZVZXPOBH-RIYZIHGNSA-N	350.472	4.993	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(F)cc1Cl	767758983	HKHQPOHHGHWMCN-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ncccc1C(F)(F)F	770644132	HRPRYOMEWWLVKO-UHFFFAOYSA-N	357.335	4.584	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146011	VPUWLBUSAVYMHZ-KPKJPENVSA-N	364.254	4.543	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(OCC(F)(F)F)c2)cc1	780806369	NLSNRJGKFASRIJ-UHFFFAOYSA-N	366.383	4.682	50	20	FJGD	
C=C(CC)CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	832633434	CZXXEJZVJXBEOS-UHFFFAOYSA-N	351.362	4.589	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2ccc(CN3CCCCC3)cc2)cc1	837059186	QCIBBRJBFQAMJI-UHFFFAOYSA-N	351.494	4.553	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2cc(C)sc2C)cc1	914762806	XPHCSFYOBHAKIP-SWEABUAFSA-N	354.475	4.548	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cc(-c3ccc(C)cc3)no2)cc1	915371555	WFQOJDHSSGKCOE-YBFXNURJSA-N	358.397	4.609	50	20	FJGD	
Cc1nc(-c2ccc([C@H](C)NC(=O)NNc3ccc(F)cc3)cc2)cs1	916568096	YOAQXEDNBOJTRF-LBPRGKRZSA-N	370.453	4.645	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])c(C)c3)o2)cc1	917368039	IRSALIHABQHFDF-UHFFFAOYSA-N	365.341	4.585	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)nc2ccccc21	1318567183	JYGFULZADWKXHY-FOWTUZBSSA-N	369.380	4.596	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)c1	17700215	UQFIAYJFZCCKSX-XNTDXEJSSA-N	363.417	4.803	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)oc12	67189601	XJRFDHKGXCBDTL-JLHYYAGUSA-N	352.777	4.640	50	20	FJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Cl)c1	71958062	IOOYTYJCHJJQOS-XLUWADSXSA-N	368.201	4.509	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C2SCCCS2)cc1	160810683	CGXYLNUQOHEQTF-UHFFFAOYSA-N	362.495	4.760	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1coc(-c2ccccc2)n1	172611027	SDLWCRUDEBIMCV-MRXNPFEDSA-N	362.520	4.672	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21	207881751	HPHDVUGIFSXORY-QINSGFPZSA-N	370.368	4.806	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccco2)cc1OCC	732577647	RBDLNKQCPYBPTI-ZROIWOOFSA-N	359.809	4.910	50	20	FJGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1cccc2ccccc12	734653992	NBXSGINXZRSRFZ-NSHDSACASA-N	359.351	4.644	50	20	FJGD	
Cc1ccc(NNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)cc1	749194233	PPSDNCNOJYLXOU-ZDUSSCGKSA-N	371.893	4.821	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NC(=S)NC[C@H]2CCOC2)c1	762443510	IOSDHMKMAZXULP-SECBINFHSA-N	362.389	4.667	50	20	FJGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)cnc12	773161348	QTJXEZJIGKQGKF-NTUHNPAUSA-N	373.309	4.591	50	20	FJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ncc(Cl)cc1Cl	775266569	WLLGYUPKVLBPSU-WEVVVXLNSA-N	356.640	4.588	50	20	FJGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c1	776193221	PQPMBJSNJIDTIY-RVDMUPIBSA-N	355.340	4.643	50	20	FJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc(C2CCC2)cc1	790908660	LJHWLURUTPZRGB-UHFFFAOYSA-N	363.230	4.613	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)Cc2ccccc2O1	816723257	RPUJBAPFNCYSRX-GDBMZVCRSA-N	351.537	4.510	50	20	FJGD	
CS(C)(=O)=Nc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	848127184	RHFHQKUKGJBVJE-OAHLLOKOSA-N	372.581	4.698	50	20	FJGD	
CC(=O)NC[C@H]1CCCN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	891402232	QCNFWTWBJCGGDY-CQSZACIVSA-N	372.403	4.692	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2sccc2C#N)c(C)n1CCC(C)C	908105305	YIOSOAJUCUURMM-VCHYOVAHSA-N	366.490	4.630	50	20	FJGD	
CC[C@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccccc2)C(C)C)cc1	915933068	DTTNBEMPJRNION-OXJNMPFZSA-N	367.493	4.541	50	20	FJGD	
Cc1ccc(NNC(=O)CCc2cc(Br)cs2)cc1Cl	1321621232	GLDQDATUDJUJDG-UHFFFAOYSA-N	373.703	4.548	50	20	FJGD	
Cc1nc([C@@H](C)NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)no1	1321919903	CJTMNIAUVVAZLO-CQSZACIVSA-N	361.562	4.751	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(Cl)c1OC	107066594	QMZULSPDDKKGPC-GDNBJRDFSA-N	370.836	4.520	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	108845427	GQSODXDOMQSSLA-ATVHPVEESA-N	352.390	4.846	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(Oc3cnccn3)cc2)c1	174185101	ASVQSIHEYKDCOD-UNOMPAQXSA-N	355.397	4.676	50	20	FJGD	
O=C(NC[C@H]1CCCOC1)Nc1cccc(S(F)(F)(F)(F)F)c1	184414876	LIUMWKRXKWEJAG-SNVBAGLBSA-N	360.348	4.892	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	728438908	BOXISZFGELJIEY-XFXZXTDPSA-N	362.260	4.814	50	20	FJGD	
CC(C)[C@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	728516289	IPZQKHQSJYSMNM-HNNXBMFYSA-N	361.829	4.521	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)o1)NNc1nccc2sccc12	734250050	NVBYCELIRBRDMI-UHFFFAOYSA-N	363.442	4.632	50	20	FJGD	
O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1ccc(F)cc1F	743336626	MKINEQOYZOHJGZ-GOSISDBHSA-N	366.411	4.825	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(-n3cnc4ccccc43)cc2)c(C)c1	743762917	OXZUFMZUNOLBGD-UHFFFAOYSA-N	370.456	4.708	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	747031893	GRZDJHXQWNZXSL-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
CCOc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1OCC	763624534	OUYJQYYVGCRNQK-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
N#C/C(=C\c1nc2c(s1)CCCC2)c1nc(-c2ccncc2)cs1	776266014	NMLIARZTGUROIL-UKTHLTGXSA-N	350.472	4.605	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(C2CCCCC2)n1	783687980	QDSIZLPQZWDWLI-UKTHLTGXSA-N	359.882	4.973	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)sc1C	788354642	GMCMTIWLWHVVQB-BOPFTXTBSA-N	359.458	4.601	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CCC2(CCCCC2)O1	791183233	ZIFXOPRAUHJGKO-HZPDHXFCSA-N	357.585	4.699	50	20	FJGD	
CCCN(N=Cc1ccc(Sc2ccccn2)o1)C(=O)OC(C)(C)C	794993504	YBFKEYYGUBRZLF-UHFFFAOYSA-N	361.467	4.807	50	20	FJGD	
C=CCC[C@@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836498643	SHKPMLTYZXFLKC-NSHDSACASA-N	360.348	4.793	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(C2SCCCS2)cc1	855365393	KMUVDOSUOWLEMI-UHFFFAOYSA-N	362.495	4.760	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1c(Cl)cccc1Cl	915989729	LRWRPWPKNLCPAZ-KAMYIIQDSA-N	368.223	4.969	50	20	FJGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1CC(C)C	916359003	DKCXDHRLJWLLTR-UHFFFAOYSA-N	366.292	4.832	50	20	FJGD	
CCOc1ccc(NNC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)cc1	1261249843	ZHVYIODPRWKDPO-UHFFFAOYSA-N	367.276	4.813	50	20	FJGD	
COc1cc(Cl)ccc1-c1nnc([C@@H](Br)C(C)(C)C)o1	1327932485	MNSYLLKQRNTPKD-LLVKDONJSA-N	359.651	4.881	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)NCc1ccccc1	5234310	CCGWYMXFSUSMML-FOWTUZBSSA-N	362.816	4.823	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(CC)oc2ccccc12	7767134	QFCBOFHPHIMVMU-FYWRMAATSA-N	360.413	4.940	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C)o3)n2)c1	8200113	ZKVULEICOMGOIC-OQLLNIDSSA-N	363.442	4.874	50	20	FJGD	
CC(C)(C)c1ncsc1C(=O)NNc1c(Cl)cc(F)cc1Cl	126052526	QSPLMHDRJKKDHP-UHFFFAOYSA-N	362.257	4.643	50	20	FJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1OC	131106148	XRUPQTCEYGPYIE-NVNXTCNLSA-N	371.820	4.546	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2F)c(C)n1[C@H](C)c1ccccc1	153171869	KYLBLEWPEGWSGS-OAHLLOKOSA-N	351.425	4.610	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2cccs2)C2CC2)c1C	206385295	NYEWVJDNAALJAT-LDADJPATSA-N	367.518	4.675	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC)c(OCC(C)C)c2)c1	212141707	UTESMWZCIQHYAO-ZDLGFXPLSA-N	365.429	4.528	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@H]2CCSS2)[C@H]1c1cccnc1	292281831	HRGXQBRJBALHLH-RDJZCZTQSA-N	350.553	4.705	50	20	FJGD	
Cn1nc(CC(C)(C)C)cc1NC(=O)CCCC[C@@H]1CCSS1	731024545	FEZDQDZARMWQKJ-CQSZACIVSA-N	355.573	4.661	50	20	FJGD	
O=C(NN=Cc1ccc(N2CCCCC2)cc1)c1cccc2ccccc12	741462582	KMONAOBDTNRWCN-UHFFFAOYSA-N	357.457	4.594	50	20	FJGD	
C[C@@H](CC(=O)NNc1c(Cl)cc(Br)cc1Cl)C1CC1	742006213	OTXNOZSQYIMDDJ-ZETCQYMHSA-N	366.086	4.635	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(F)(F)C(F)F)c(C)n1CCC(C)C	744565681	MMSFJUKJYAXYLB-NVNXTCNLSA-N	374.378	4.502	50	20	FJGD	
CSCc1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	758951897	YVMGFRCPGBLMPS-UHFFFAOYSA-N	369.939	4.522	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1)c1ccccc1	761387824	YMAJPCNNKLQZLE-WVUXNXBLSA-N	364.392	4.941	50	20	FJGD	
O=C(NNc1ccccc1)Nc1cccc(COCCc2ccccc2)c1	769984045	VTXPWSWETNEQMK-UHFFFAOYSA-N	361.445	4.595	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)c1cccc(F)c1	772171012	ANOMGPDYOFKVSA-VBKFSLOCSA-N	373.412	4.992	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(Cl)c1	774118708	AVZBRPZBODBIPY-MDWZMJQESA-N	365.776	4.828	50	20	FJGD	
C[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782981004	MUGGEVJPCDGZKV-VHSXEESVSA-N	365.389	4.763	50	20	FJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)C1CCC(F)(F)CC1	788702850	AVERGWAQDGFPKQ-NSHDSACASA-N	354.466	4.804	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)[C@H]1CCCOC1	794884064	NQHNWSGRQBOLTA-MDNIKOHYSA-N	369.367	4.660	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1C[C@H](c2cccc(F)c2)C1	798031888	FZJXWHUUIKTPLR-DJIMGWMZSA-N	353.528	4.902	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cn(C(C)C)nc2C)cc1	798344270	BFKWLSYQXKWYEM-PDGQHHTCSA-N	350.466	4.661	50	20	FJGD	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NNc1ncccc1F	804214822	RPNDRKRWJNBPJY-CSKARUKUSA-N	373.840	4.759	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1	810195861	FBUQSRXRQQIERR-WQRHYEAKSA-N	356.429	4.548	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)/C(=C\c1ccc(F)cc1)c1cccs1	817008749	GCOJSLLIZYSQAD-KAMYIIQDSA-N	373.840	4.620	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CCC[C@H]1CO	836498895	WMNJNLBSZFTBDG-CABZTGNLSA-N	360.348	4.627	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1OC(=O)CC	840717388	UOVKJYRFJZXVJU-OQLLNIDSSA-N	356.447	4.538	50	20	FJGD	
CNCC1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	841178214	BMOCJHKRYMIPJS-UHFFFAOYSA-N	373.391	4.807	50	20	FJGD	
CC(C)[C@](C)(CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178731	HLPYDXNSLAYCQH-ZDUSSCGKSA-N	361.380	4.839	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)cc1	915853004	YNDWTAZGYKADIV-PWDRBQJJSA-N	362.429	4.517	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC(F)F)C(=O)c1ccc(F)cc1	915987894	MEUZQZMAAFJVGH-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
COc1cc(C(=O)NN=C/C=C(/C)CCC=C(C)C)ccc1OC(C)C	916352601	YSRWMQIOWQVMJG-ORVXBBLMSA-N	358.482	4.891	50	20	FJGD	
COc1ccccc1S[C@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	921264435	RAVQGHGSDYHGHY-MCMJHOFTSA-N	368.483	4.698	50	20	FJGD	
O=C1[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1	927184876	WZSQNEMSHRVNJV-XRNSZHNASA-N	368.327	4.664	50	20	FJGD	
CC(C)[C@@H](C(=O)O)[C@@H](C)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776301244	WJFPWBULIZHJOW-CRAIPNDOSA-N	365.590	4.906	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	6539949	SQHZTHFWUPWAQM-XDHOZWIPSA-N	365.477	4.705	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1[N+](=O)[O-]	7318129	DTVBOBXHHYPMHM-FOWTUZBSSA-N	373.368	4.746	50	20	FJGD	
Cc1ccccc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	105388940	FQAUODSURJFRAQ-ISNHLSKGSA-N	352.484	4.998	50	20	FJGD	
Cc1cc(C(=O)NNc2ccncc2Cl)c(C)n1[C@@H](C)c1ccccc1	154868262	DXKHCIIQAMQLQJ-AWEZNQCLSA-N	368.868	4.520	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1Br	170933559	BMORSBUSVSYAKK-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)cc1	211654418	DLSWXZDLRNFWGW-ATVHPVEESA-N	367.401	4.733	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc(Cl)c1O	730148906	PEYFLARNOHNUHQ-ONNFQVAWSA-N	360.797	4.867	50	20	FJGD	
Cc1ccc(F)c(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1	734977928	NHYQWHYZLNICRZ-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)c(C)c1	743762187	LZARNYYRTFVAAE-IRXDYDNUSA-N	373.294	4.621	50	20	FJGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)c1cccc2ccccc12	751528895	MFYOJTBIPLEZBK-UHFFFAOYSA-N	363.467	4.789	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1csc(-c2ccoc2)n1	757426029	VLXJHTUIALJRBC-UHFFFAOYSA-N	366.354	4.684	50	20	FJGD	
CC(C)(C)OC1CC(CCNC(=O)NNc2ccc(C(C)(C)C)cc2)C1	764505831	HRRBMLONWRADDA-UHFFFAOYSA-N	361.530	4.594	50	20	FJGD	
COc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c1F	771267426	WEZPUWIKJDEGNZ-UHFFFAOYSA-N	365.408	4.578	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F	773149734	JZDFYURIRDARDH-BJMVGYQFSA-N	365.147	4.831	50	20	FJGD	
N#C/C(=C\c1occc1Br)C(=O)c1cccc(C(F)(F)F)c1	780526428	DIBHLTGAZJWYIP-JXMROGBWSA-N	370.124	4.851	50	20	FJGD	
C[C@@H]1CCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	782985705	TZZGSAOZQIFOJE-NXEZZACHSA-N	365.389	4.763	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1csc(-c2ccccc2F)n1	785364533	UPKFEWMLCKIDBB-GDNBJRDFSA-N	364.401	4.600	50	20	FJGD	
ClCCCOc1ccc(CNC2CCC(N3CCCCC3)CC2)cc1	811483149	CPBQNQRLFAYUAA-UHFFFAOYSA-N	364.961	4.581	50	20	FJGD	
COc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1OC	812247111	ZFZBHHDPUMYQMM-VZUCSPMQSA-N	368.742	4.835	50	20	FJGD	
CCOc1ccc(NNC(=O)CCC[C@H](C)c2cccc(OC)c2)cc1	817904888	VOEHEFWWMHEOHF-INIZCTEOSA-N	356.466	4.511	50	20	FJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2ccc(C)cc2Cl)cc1	836935804	BJXIKWFNPIVXOH-UHFFFAOYSA-N	374.868	4.543	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2OC[C@H]2CCCO2)o1	840722544	LNAVFUKCHCZPGY-NQUDRAQSSA-N	371.820	4.589	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)c(C2CC2)n1	846376753	DTOUFQGSSXTZCL-UHFFFAOYSA-N	369.774	4.697	50	20	FJGD	
Cn1nc(C(F)(F)F)cc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	853005232	ZGWNDQPRJLGGCR-UKTHLTGXSA-N	361.367	4.526	50	20	FJGD	
COC(C)(C)c1noc(/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	1331450654	JONWSEORRLPSQS-ATVHPVEESA-N	368.481	4.939	50	20	FJGD	
ClCCCOc1ccc(CNCCc2coc(-c3ccccc3)n2)cc1	1332941870	UTNCOQJKGWOZGP-UHFFFAOYSA-N	370.880	4.682	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(C(=O)O)c1F)C(=O)c1cc2ccccc2s1	1777565664	JNJPNKYOKDAZOQ-YRNVUSSQSA-N	369.348	4.668	50	20	FJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	59117424	GFOOZJPVEOTRLS-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnc2ccc(F)cc2c1	179442861	PSTIPRLZWIXLCF-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1	729516087	XJPHMTDSSJOZMN-LBPRGKRZSA-N	357.816	4.664	50	20	FJGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)c1cccc(Cl)c1Cl	735758167	LRJMNDIVCDSKFV-QMMMGPOBSA-N	360.191	4.659	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNc2cccc3cnccc23)c1C	748773394	OUXAMYHSOYUVFO-UHFFFAOYSA-N	370.456	4.708	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)c1c[nH]c2cc(Cl)ccc12	749358515	RXYHJDBTXBBPED-NVNXTCNLSA-N	360.800	4.930	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1	750912379	DVAUBCVMRABEKD-ZROURJAMSA-N	360.398	4.734	50	20	FJGD	
O=C1CCCc2cc(OC(=O)CCCC[C@H]3CCSS3)ccc2N1	764906198	WLKOMCHIIMMFIO-HNNXBMFYSA-N	365.520	4.581	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC2(C#N)CCC2)c(C)n1C1CCCCC1	768090860	IEOLFEXKTONLQJ-XDHOZWIPSA-N	365.477	4.754	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cc(Cl)cc(C(F)(F)F)c1	779053629	HCGFEWKDXVTILL-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)c1cccc2c1OCCO2	781550378	UXZLUTFSQXJIFG-JLHYYAGUSA-N	373.380	4.562	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1)c1ccccc1	787145312	PSHRCVKJJHTLMW-BLMOFCDVSA-N	360.413	4.616	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	794875162	QQUKTTNWAWSENM-FLIBITNWSA-N	372.209	4.963	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1nc2ccccc2cc1Cl	810919703	MUUFJZZFLDOOMD-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc(Cc2ccccc2F)o1	821078723	YPULPHZGDBOHKW-UHFFFAOYSA-N	368.550	4.913	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2ccccn2)c(C)n1-c1ccc(F)c(F)c1F	914786763	PIAUAWDFORBPBV-GDNBJRDFSA-N	353.347	4.971	50	20	FJGD	
Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)CCl	1253968142	KLOJPJIYIQLVPU-UHFFFAOYSA-N	359.832	4.909	50	20	FJGD	
CCOc1ccc(-c2nnc([C@H](Br)C(C)(C)C)o2)cc1OC	1329096368	OVMQEJMPUARDBA-ZDUSSCGKSA-N	369.259	4.626	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C(=O)O)c2)cc1	1776697740	PRYVZGYQPFZLCB-BVTUPMQUSA-N	366.392	4.583	50	20	FJGD	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	7165168	BVHVXTVCECMHFN-JLHYYAGUSA-N	361.228	4.938	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1cccc(Cl)c1	11297688	JBMKAEMNIUURBQ-VGOFMYFVSA-N	374.223	4.945	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(F)c2)c(C)c1	162386085	CTSKUTJXPVIFHE-RIYZIHGNSA-N	360.335	4.590	50	20	FJGD	
Cc1c(NC(=O)CCCC[C@H]2CCSS2)cnn1C1CCCC1	192697208	HCMSGIZULQLIQS-HNNXBMFYSA-N	353.557	4.959	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nnc2n1CCCCC2	212120015	WWYWKMZIAYZUKW-HKWRFOASSA-N	370.456	4.648	50	20	FJGD	
C[C@H](C#N)CN(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	264132413	MWTMEKXLUACYEY-SKDRFNHKSA-N	365.808	4.529	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1ccc(Cl)s1	588424687	HPWPVCQJMZRRME-DKGMDFAASA-N	373.861	4.749	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1c(F)cccc1F	735698565	RHTHWDFMUHIQHL-UHFFFAOYSA-N	374.412	4.849	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1cccc2ccccc12	740128974	YQLHFGQLYPJURQ-HZPDHXFCSA-N	371.362	4.500	50	20	FJGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743672856	FYMJVSAFCPVBRJ-HZPDHXFCSA-N	368.481	4.514	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1	747989473	ZSLIROWRQSLYLD-IBGZPJMESA-N	370.811	4.743	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(F)cc3C)c(F)c2)cc1	748551865	OUZPSKUMUKFERW-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cnc(-c3cccs3)s2)cc1	751511773	AEAUOBJJVXTENK-DHDCSXOGSA-N	372.496	4.518	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C[C@H](C)c1ccc(F)cc1	756875975	DPUJKUCIQRONJJ-ZDUSSCGKSA-N	367.449	4.777	50	20	FJGD	
C[C@@]1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCOC1	762979211	TYFSFZZXCLFIFS-ZDUSSCGKSA-N	360.348	4.892	50	20	FJGD	
COCc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)o1	764417129	LGDRKPMKQLVCLG-NTEUORMPSA-N	352.415	4.622	50	20	FJGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)c1ncc(-c2ccccc2)o1	766749761	PDTWNYMHHSFKHS-RISCZKNCSA-N	366.255	4.755	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1	768417757	RQPAENOJXGJQQX-NFGWICIOSA-N	350.300	4.500	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1cccc2ccccc12	776634905	GBEGIAOFUXSRGW-UWUFYVNFSA-N	368.436	4.816	50	20	FJGD	
CC(C)(C)Oc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cn1	778704836	FQBUKFPUFGDRSF-HNNXBMFYSA-N	368.568	4.589	50	20	FJGD	
C=CCC[C@H](C(=O)NNc1cccc(Br)c1)c1ccccc1	779008438	QUFGUJYQANNDLH-KRWDZBQOSA-N	359.267	4.642	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1)c1ccccc1	787145089	OUZLBWNKCKJACX-CSMMYAOASA-N	367.452	4.923	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc2ccccc2c(Cl)n1	791718563	XOEDRTFNTHQEMT-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC1CCCC1)C(=O)C1CCOCC1	794953589	OHCOYWZFYLGULU-LFIBNONCSA-N	359.853	4.564	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cnn(-c2ccccc2)c1	807389100	UUWNXKYBDNFQHQ-QGZVFWFLSA-N	362.520	4.630	50	20	FJGD	
C[C@@]1(CNC(=O)c2c(Cl)ccc(Cl)c2Cl)C[C@H]1Br	857690578	WBSPYTQYMAQHLG-PELKAZGASA-N	371.489	4.550	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(F)c2)cc1	16881241	CLFOYJQZXVEEGH-MPMPPSQCSA-N	352.409	4.893	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1c(Cl)cccc1Cl	158719200	ISMFHGCSLJLPDB-WMZJFQQLSA-N	353.155	4.817	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1	159192155	HWODQXAUQDKGHY-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc4cnccc34)c2c1	178527385	VKOKLDFRANRWMK-UHFFFAOYSA-N	368.440	4.726	50	20	FJGD	
CCN(C1CC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181629621	BSITWJHYYXOFTI-UHFFFAOYSA-N	351.362	4.517	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2cccs2)c(OC)c1	726595022	SMYDIMFMDCATRO-FBKCMUNRSA-N	355.459	4.858	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1ccc(F)cc1Cl	733277180	IJAIPZXRXDDRGS-AWEZNQCLSA-N	361.935	4.852	50	20	FJGD	
Cc1cc(C(=O)NNc2nccc3sccc23)c(C)n1C1CCCCC1	734246705	IZEWOIYHSHYVFU-UHFFFAOYSA-N	368.506	4.977	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(Cl)c2)c1C	742349386	FDGFBCIELOICRM-YBEGLDIGSA-N	354.837	4.743	50	20	FJGD	
O=C(NNC(=O)C1CCC(c2ccccc2)CC1)c1cccc2ccccc12	742699630	DNOSLQGZHOBCCA-UHFFFAOYSA-N	372.468	4.575	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccccc2F)cc1F	748049043	LCLWCCZDXKQXRE-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
C#CCCCCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	758533415	PIRBQRKELUIGBJ-ZDUSSCGKSA-N	364.820	4.831	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cnc1Cl	760210141	KKTGOTIXFJWHDK-GHXNOFRVSA-N	365.742	4.608	50	20	FJGD	
COc1ccc2oc(C=NNC(=O)c3c(Cl)cccc3Cl)cc2c1	763363128	NRVZMPYWICTKJR-UHFFFAOYSA-N	363.200	4.512	50	20	FJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1	769943067	QLGBZKVRQASSCP-UHFFFAOYSA-N	374.400	4.508	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)Nc1ccc(Cl)cc1Cl	772806237	LRPZCUKXLAROLZ-WUXMJOGZSA-N	360.175	4.550	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1ccccc1C(F)(F)F	782306962	RPKFFLQRKXIKSZ-XFFZJAGNSA-N	363.364	4.585	50	20	FJGD	
C[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782981006	MUGGEVJPCDGZKV-ZJUUUORDSA-N	365.389	4.763	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)s1	786039748	GZVFEBXTQYUHIA-XNTDXEJSSA-N	351.880	4.758	50	20	FJGD	
C[C@H](CC(=O)NNc1ncc(Cl)cc1Cl)c1c[nH]c2ccccc12	787535431	ZAEWXYNMTIDAQH-SNVBAGLBSA-N	363.248	4.507	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ncoc1-c1ccc(F)cc1	791729823	OGZQHGSGVBHXJY-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
CCCN(N=Cc1ccccc1OCc1cccnc1)C(=O)OC(C)(C)C	794997103	ODWHGHQKADEKRR-UHFFFAOYSA-N	369.465	4.642	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(-c3cnn(C)c3)cc2)c1C	1322454766	FFQURWRGWYTHRM-NDENLUEZSA-N	372.472	4.705	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(/C=C/C(=O)O)cc2)cc1	1776697501	HBDIWXGDCWTXBS-AYWPSSTDSA-N	374.440	4.844	50	20	FJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1	1786444501	UNCKYFZHYNCVSO-GOSISDBHSA-N	374.912	4.638	50	20	FJGD	
COc1cc(CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1C	10406831	UDWQZEAJBZILTB-UHFFFAOYSA-N	373.667	4.650	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(=O)OC1CCCCC1	14178904	KNHCUVKWUYCNSY-GXDHUFHOSA-N	356.422	4.732	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	16439183	JQHHNSUOWMWEQO-BJMVGYQFSA-N	353.155	4.817	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1ccccc1C(F)(F)F	32790984	HNXVPZWOJQYDSF-CSKARUKUSA-N	352.262	4.529	50	20	FJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2ccc(F)cc2)cs1	55105049	DZCXFEKXCDJDFZ-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1OCC	57549172	YKYQKIGEVFIWJV-PDGQHHTCSA-N	365.429	4.673	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(F)c3cccnc23)c(C)c1	164618416	MBQDQNUGMMNORO-GZTJUZNOSA-N	359.404	4.845	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)c1c(Cl)cccc1Cl	176954851	AQTHFBKQSSHFPY-UVTDQMKNSA-N	372.255	4.778	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccccc2c(Cl)n1	178828184	AKGHSJLQLBDBLZ-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184422946	JVLYUGRJPBPKEY-QMMMGPOBSA-N	361.336	4.543	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(OC(F)F)c2)c(C)c1	192747783	QIBGVOZXUHURNY-CXUHLZMHSA-N	356.372	4.759	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2ccncc2)c(C)n1C1CCCCC1	726385236	YPTHLZDBCMCCIS-MOSHPQCFSA-N	363.461	4.656	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cn2)c(C)n1C1CCCCC1	728475813	ICMWKFBQQGNQRZ-GZTJUZNOSA-N	366.440	4.690	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)c1nc2cc(F)ccc2s1	730148635	IPJKRMQLJDQKKM-KMKOMSMNSA-N	358.781	4.882	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Br)s1	730436519	QUUXXIMBMIOUMM-JXMROGBWSA-N	352.640	4.954	50	20	FJGD	
O=C(NNc1ccccc1)c1cc2ccccc2n1Cc1ccccc1F	732266095	JLPVCBPVBALPBN-UHFFFAOYSA-N	359.404	4.586	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2cccnc2)c(C)n1C1CCCCC1	736018567	NPXWMQNWYDXFRN-UYRXBGFRSA-N	362.477	4.575	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2O)c1C	736680648	BCLWVQHNEFEBHI-LFIBNONCSA-N	371.868	4.810	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)c1C	742909627	LOEYCQARROQJOU-FRKBIFFFSA-N	373.566	4.555	50	20	FJGD	
Cc1cc2cc(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)oc2cc1C	746888723	DZEWZWPABPLTCQ-UHFFFAOYSA-N	373.334	4.697	50	20	FJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3cccc(F)c3)cs2)cc1	748091163	HTLVJRADEPMGTF-UHFFFAOYSA-N	369.465	4.758	50	20	FJGD	
O=C(CCCSc1ccc(Cl)cc1)NNc1cccc2cnccc12	748773247	GIEQGEHRGUZHNZ-UHFFFAOYSA-N	371.893	4.904	50	20	FJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccccc3Cl)c2c1	752143779	NHCUSJMDJJXBIW-UHFFFAOYSA-N	367.836	4.531	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)c3nc4ccccc4n3C)cs2)cc1	767888851	YDXOVUSQMMERFN-RVDMUPIBSA-N	372.453	4.770	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2nc(S)oc2c1	769241461	FHTZDJSSVJZYEN-LLVKDONJSA-N	354.522	4.769	50	20	FJGD	
Cc1cc(NC(=O)NNc2c(F)cccc2F)ccc1Oc1cccnc1	775562173	KAFPMAZZODIDJD-UHFFFAOYSA-N	370.359	4.609	50	20	FJGD	
Cc1nc(C(=O)NNc2nc3ccccc3cc2C)c(-c2ccccc2)s1	778965294	ANUHHPNMGRLTFH-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2c(s1)CCCCC2	779208833	CRGBPARVUHDAIK-UHFFFAOYSA-N	370.396	4.673	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1F	780004110	DNMSAHGEFIXUKS-QPEQYQDCSA-N	352.340	4.635	50	20	FJGD	
CN(N=Cc1cnc(-c2ccc(Cl)cc2)s1)C(=O)OC(C)(C)C	788995266	UQQXOLKNXQEODH-UHFFFAOYSA-N	351.859	4.664	50	20	FJGD	
C=C(CBr)COC(=O)c1c(Cl)ccc(Cl)c1Cl	795313109	QZAKBDJABWZTTL-UHFFFAOYSA-N	358.446	4.755	50	20	FJGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)c1c[nH]c2ccccc12	800804930	GKAQBQDHXSJXNK-UHFFFAOYSA-N	373.378	4.925	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(Oc2cccnc2)cc1	808898639	RVSMCXAJZIFQHP-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)cc1C	809147023	WVVVAOMMWXUKLS-UYRXBGFRSA-N	353.425	4.962	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(C2=CCCC2)cc1	811222137	WEAAMBHGHSSXNF-UHFFFAOYSA-N	362.351	4.909	50	20	FJGD	
COC(=O)N(C)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811468965	PVNKVONUQSMYMJ-UHFFFAOYSA-N	362.857	4.509	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	812241080	BXBJCNWLQUPGAQ-YRNVUSSQSA-N	350.176	4.931	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1c(C)nn(CC(C)C)c1C	812766993	BANPESWUZMSSCI-UHFFFAOYSA-N	370.541	4.664	50	20	FJGD	
Cc1cccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	817013794	DJPLZYSQXYRGME-UHFFFAOYSA-N	362.273	4.790	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C1CC1)C1CC1	817013828	FLGVNJHTLFQAAD-UHFFFAOYSA-N	366.305	4.604	50	20	FJGD	
CC(C)(CCCN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179074	JKRIOENLDOYWJB-UHFFFAOYSA-N	361.380	4.983	50	20	FJGD	
CC[C@@H](C)CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	850590824	DDBZESLGVPKFFC-SNVBAGLBSA-N	374.375	4.835	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)oc12	915848189	WPAZCSRZOGYUGL-GXDHUFHOSA-N	366.804	4.949	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(CC)C(C)C)cc2)cc1	915914634	SLVFQNBMRZYQRA-UHFFFAOYSA-N	368.477	4.816	50	20	FJGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)NCCc1ccccc1	917516342	TUIGITDELFMGAG-UYRXBGFRSA-N	358.466	4.681	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCc3cc(C)ccc32)c1C	919869765	DTPXUQBMANFVLN-IMEWXKHHSA-N	361.489	4.534	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccccc3Cl)on2)cc1Cl	1115862625	ASZIVGAXKGYBKU-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)C(=O)Nc1ccc(C(=O)O)cc1	1317706904	GAPFBUWJWYNNFV-VBKFSLOCSA-N	374.421	4.659	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)ccc1O	7167588	HXRVZKWFLXYENI-GYZOOYGHSA-N	364.445	4.850	50	20	FJGD	
O=C(NN=C/C=C/c1ccccc1)c1ccc(Br)cc1Cl	728782124	FXSQGBXCTNJIRL-FBZYTMSMSA-N	363.642	4.532	50	20	FJGD	
CCc1ccc([C@H](C)C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	729516295	YBJMOWVVOLZTIT-ZDUSSCGKSA-N	353.853	4.697	50	20	FJGD	
O=C(NNc1nccc2sccc12)C1c2ccccc2Oc2ccccc21	734247207	YIUXOYNVUVNROD-UHFFFAOYSA-N	373.437	4.677	50	20	FJGD	
Cc1csc([C@@H](NC(=O)CCCC[C@@H]2CCSS2)C2CC2)n1	742091678	YEQKSWXFIRYZDG-HIFRSBDPSA-N	356.582	4.733	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@@H]3C(C)C)s2)cc1	747751873	RRHBQWCBMZOECO-OAHLLOKOSA-N	371.506	4.548	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1	748018743	ISQFEDWXISVNGL-DTWKUNHWSA-N	355.187	4.805	50	20	FJGD	
Cc1ccc2c(CCNC(=O)CCCC[C@H]3CCSS3)c[nH]c2c1	749629895	SYYCDHAFWQMNRL-INIZCTEOSA-N	362.564	4.849	50	20	FJGD	
CCc1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	752973601	FHYOSRMVRXUWRG-UHFFFAOYSA-N	370.347	4.951	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OC(F)F	764891526	LKTYTSZBLRTSNP-MHWRWJLKSA-N	357.356	4.785	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1	767030058	NGVNWKBKTNNUCR-ZIAGYGMSSA-N	358.707	4.813	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F)O[C@@H](C)C2	773149743	KFBQMJCSFWVYEU-RZBIUYHXSA-N	371.795	4.601	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c2c(c1)C[C@@H](C)O2	773161123	AUYGQCKQMPMDHD-JBARUQGQSA-N	371.795	4.601	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1cccc(C(F)(F)F)c1	780373730	GYBJGYOLICQTCR-SXGWCWSVSA-N	367.330	4.681	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1oc2c(ccc3ccccc32)c1C	788184109	GWMPGDROFFDRLH-UHFFFAOYSA-N	364.376	4.799	50	20	FJGD	
COCc1nc2cc(NCc3ccc(OCCCCl)cc3)ccc2o1	798187227	MVNLGYURRFVHCD-UHFFFAOYSA-N	360.841	4.594	50	20	FJGD	
CCn1ccnc1[C@H]1CCCCN1Cc1ccc(OCCCCl)cc1	811501799	XTWYBXTWKMLQIB-LJQANCHMSA-N	361.917	4.638	50	20	FJGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1cc2c(s1)CCCCC2	814767540	LGRYQYLBZDZASQ-UHFFFAOYSA-N	364.511	4.548	50	20	FJGD	
CCCN1C[C@H](C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1=O	841175937	NIZFPRRWKTVRJJ-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
O=C(NCCC[C@H]1CCCN1)Nc1cccc(S(F)(F)(F)(F)F)c1	841190149	LJNSICTYUVMDCF-LLVKDONJSA-N	373.391	4.998	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1	915985549	NPXQRRUPYHMYFL-UVTDQMKNSA-N	371.318	4.582	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(C)cc(C)c1	921262286	SJENGVBHDHCONP-CXUHLZMHSA-N	354.837	4.820	50	20	FJGD	
C[S@@](=O)C1(CNCc2cccc(S(F)(F)(F)(F)F)c2)CCC1	922094508	OGAPTUSGXLYSAY-OAQYLSRUSA-N	363.417	4.735	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1C	8238505	NIPIQJUTGWKSBK-SFQUDFHCSA-N	359.404	4.727	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC(F)F)cc1	16409082	SZNTWHMYEXIZRZ-YRNVUSSQSA-N	366.339	4.825	50	20	FJGD	
CC(=O)Nc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	66407912	FIUVYPRDKGDZBM-ZDLGFXPLSA-N	370.437	4.704	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	132474659	ZTWNTFPOMNWTRD-KAMYIIQDSA-N	350.349	4.516	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(SCC(F)(F)F)cc1	132730702	YDEMCOXXOOSGOY-LZCJLJQNSA-N	374.815	4.672	50	20	FJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)c1c[nH]c2ccccc12	206854748	IXMCBJDJEZGSDI-YHYXMXQVSA-N	357.232	4.782	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1OC	215922056	PMGGCOXGQPVVPS-WQRHYEAKSA-N	364.445	4.565	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CC[C@@H](CO)C1	296980866	XVFQXFACAQNXFH-KOLCDFICSA-N	360.348	4.627	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)c1nc2cc(F)ccc2s1	730148882	OKSHLJAETRQNMM-VZUCSPMQSA-N	372.808	4.924	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1cc2c(Cl)cccc2s1	734246393	BNGFNXLSADKRIE-UHFFFAOYSA-N	359.863	4.921	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OC	735619626	OLRYZTXJJPOHBQ-QPEQYQDCSA-N	353.809	4.606	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)c(C)c2)cc1	746394141	OGYSJAFICKXZRE-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
C/C(=C/C(=O)NNc1c(C)cccc1F)c1ccc(C(F)(F)F)cc1	771707192	LLLMNIRTQOZERX-BENRWUELSA-N	352.331	4.700	50	20	FJGD	
C[C@@H](CC(=O)NNc1ncc(Cl)cc1Cl)c1c[nH]c2ccccc12	787535428	ZAEWXYNMTIDAQH-JTQLQIEISA-N	363.248	4.507	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccccc2s1	788329471	WSJNNTJTEGBHMG-AQTBWJFISA-N	374.465	4.528	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788360601	LSCXTSLSQJTXGP-POHAHGRESA-N	362.241	4.731	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1OC	794885236	PMVZEQKHWCQOHK-XDHOZWIPSA-N	370.408	4.598	50	20	FJGD	
COc1cc(NC(=O)CCCC[C@@H]2CCSS2)cc(OC)c1C	817143285	XAAHKDHKFCFMFW-CQSZACIVSA-N	355.525	4.665	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC2(CCC2)[C@@H]1C1CCOCC1	819755573	AXAUNXNYKCHYKP-AEFFLSMTSA-N	369.596	4.508	50	20	FJGD	
Cc1cccc(OCCCNC(=O)CCCC[C@H]2CCSS2)c1	849198221	NOFUOBSSRVGIPD-KRWDZBQOSA-N	353.553	4.594	50	20	FJGD	
CC(C)n1ncc2cc(CN3CC[C@@H](O[Si](C)(C)C(C)(C)C)C3)cnc21	852523055	USHVAWPEALPYHU-GOSISDBHSA-N	374.605	4.608	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2Oc2cccc(C)c2)cc1	857512102	HDOCFWBHSFKGFI-UHFFFAOYSA-N	362.429	4.943	50	20	FJGD	
COC(=O)[C@H](CC(F)F)NCc1cccc(S(F)(F)(F)(F)F)c1	893955688	GHPXXGLJJDWMSP-JTQLQIEISA-N	369.302	4.630	50	20	FJGD	
O=C(NN=C/C=C/c1ccco1)c1cc(-c2ccco2)nc2ccccc12	920364068	OBYPUBQLHCNBQF-KDFDATHCSA-N	357.369	4.517	50	20	FJGD	
Cc1cc(OC(=O)c2nc(-c3ccccc3)oc2C(C)C)ccc1[N+](=O)[O-]	1524682934	IWZILEOVXIBTSL-UHFFFAOYSA-N	366.373	4.901	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OC	6341973	NTYWMUABNOOREN-FOWTUZBSSA-N	368.408	4.559	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)cc2F)cc1	52080109	HOZOZROJWRIIKJ-WJDWOHSUSA-N	368.408	4.557	50	20	FJGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)s1	123422519	DEGYTOSOLTZCGC-XFFZJAGNSA-N	365.380	4.831	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)C1CCCCC1	128925371	XMLVIBXYAYBLCM-OVCLIPMQSA-N	366.442	4.595	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1	171044533	RDOFUYOQILPSFI-OQLLNIDSSA-N	360.335	4.748	50	20	FJGD	
N#CCCn1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c2ccccc21	194540225	FCYZUHHGDDPINC-OVCLIPMQSA-N	361.351	4.623	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1)c1ccccc1	214386555	IQHMXYYDTLJXIR-CUTJPZLCSA-N	362.326	4.629	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cn1	588579928	ZAVYERPYHNMVEI-YVLHZVERSA-N	361.474	4.509	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)c3ccc(C)s3)c2C)no1	729849555	IOBSJBAHUMIFNV-CXUHLZMHSA-N	351.431	4.550	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	737444249	PRLBJLYNGOBKEK-MHWRWJLKSA-N	366.848	4.908	50	20	FJGD	
CC[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1	745836448	QIWAXBABAWDXPI-CYBMUJFWSA-N	373.671	4.819	50	20	FJGD	
CCC[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	748703224	PJGCDGHXFGDQHA-KRWDZBQOSA-N	366.383	4.655	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc1Cl	753315631	JRCYTTUPLGVYPS-RBUKOAKNSA-N	361.832	4.612	50	20	FJGD	
Oc1nc([C@@H]2CC[C@H](Br)C2)nc2sc3c(c12)CCCCC3	765983823	YKQMGMNBEIVBLU-ZJUUUORDSA-N	367.312	4.697	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2C(C)(C)C#N)cc1	767996603	ZKIGHAWDKIETTH-UYRXBGFRSA-N	374.440	4.537	50	20	FJGD	
Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCC[C@H]1CCSS1)CC2	773996766	QVKHWWLNBMGZDP-AWEZNQCLSA-N	366.508	4.506	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Br)c3cc(C)oc23)c1	785871738	FHQGKXHVOQPENN-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
C[C@@H](O)[C@@H]1CCCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	792871559	MLJOUGFPJSDUNU-YLJYHZDGSA-N	363.618	4.801	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(Cl)c3c(c2)OCCO3)s1	797398075	DRIGODFXEAMJHC-SDQBBNPISA-N	360.866	4.929	50	20	FJGD	
CCCN1C(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)[C@@H]1C	804201649	SLOMSLQSUKUPED-VIFPVBQESA-N	358.332	4.911	50	20	FJGD	
ClCCCOc1ccc(CNC2CCN(C3CCCCC3)CC2)cc1	811483098	BUKYEKXCIBEAGZ-UHFFFAOYSA-N	364.961	4.581	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1ccccc1F	811626676	MKAGMSDQSPFHEA-BJMVGYQFSA-N	365.147	4.831	50	20	FJGD	
O=C(NN=Cc1ccc(F)c(F)c1)c1ccc(-c2ccc(F)cc2)s1	917029456	JOOFNDAJTOAVOU-UHFFFAOYSA-N	360.360	4.596	50	20	FJGD	
COc1ccccc1CN(C(=O)CCCC[C@H]1CCSS1)C1CC1	918339196	MADSTLUHGAPWOO-KRWDZBQOSA-N	365.564	4.900	50	20	FJGD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CCCC[C@@H]2CCSS2)C1	919701665	HMEASEPEPGIOAN-BRWVUGGUSA-N	372.644	4.573	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1	920068181	KYEXRLIEKPFMSG-QGOAFFKASA-N	354.409	4.668	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1Cl	1317701219	FQJQMQKEEZXZOO-VBKFSLOCSA-N	361.832	4.932	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1Cl	1345143516	YEQQKCHPZCUZDD-BOPFTXTBSA-N	361.832	4.683	50	20	FJGD	
O=C(NN=C1CCC[C@@H](c2ccccc2)CC1)Nc1ccc(C(=O)O)cc1	1776045976	VPBLUPZJSAEAJB-MRXNPFEDSA-N	365.433	4.610	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cscn1	102983585	ZSUBJVTVRIWYQG-NSHDSACASA-N	352.790	4.615	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2oc3ccccc3c2COC(C)C)c1	127724842	RSGZWWCNJAYRTA-UHFFFAOYSA-N	356.397	4.562	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC(F)(F)F)c(C)c1	209219929	XCSPOJINYQREJP-GDNBJRDFSA-N	360.335	4.748	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCCCC#N)c2)c(C)c1	255624647	XRSQUIYZUZRZPV-UYRXBGFRSA-N	359.429	4.532	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1)c1ccccc1	255735267	HVCIXYBAKOHYCA-VVRYKASASA-N	353.425	4.533	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)c3c[nH]c4ccccc34)co2)cc1	255773962	OSSDFNPOAKYSFP-YBEGLDIGSA-N	353.381	4.921	50	20	FJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1OC(F)F	588393620	JXZJLKDABHTMLU-LCYFTJDESA-N	362.763	4.796	50	20	FJGD	
CC[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1cccc(Cl)c1	726706057	VDVCTGWJZQGSIW-HNNXBMFYSA-N	369.799	4.719	50	20	FJGD	
CC(=NNC(=O)c1ccc(Br)cc1Cl)C1CCCCC1	728783126	ZWCOBGJXPMEBMT-UHFFFAOYSA-N	357.679	4.789	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1c(O)ccc2c1CCCC2	743715655	ABTTZVMOJOSBHQ-HNNXBMFYSA-N	365.564	4.601	50	20	FJGD	
Cc1cc(C)c(NNC(=O)CCc2nc3cc(Cl)ccc3s2)c(C)c1	743763567	PZCFVNLZUVQXDX-UHFFFAOYSA-N	373.909	4.951	50	20	FJGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cc(Cl)sc1Cl	744596158	GGXLYPFDPIJQJO-UHFFFAOYSA-N	352.246	4.690	50	20	FJGD	
O=C(CCOc1ccccc1)NN=Cc1c(Cl)ccc(Cl)c1Cl	747050803	DJLDZSHJPDJTCY-UHFFFAOYSA-N	371.651	4.566	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	751388197	DXGAIJPBUPOUAV-HLASGMPESA-N	374.353	4.557	50	20	FJGD	
CCSCc1ccnc(NC(=O)CCCC[C@H]2CCSS2)c1	762232182	LXJCJEMGHHZEKF-AWEZNQCLSA-N	356.582	4.987	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)C1CCCCC1	767715469	WCXLPQAGEQVRQS-ZDLGFXPLSA-N	353.853	4.641	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1CCC(C(F)(F)F)CC1	769848311	WZPOPVXEJSTAAJ-UHFFFAOYSA-N	371.790	4.700	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1	771697424	QJEPUFHJYYIPIV-NVXWUHKLSA-N	350.478	4.733	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3ccccc3OC(F)F)oc12	775638754	HGZOOUKQCYBZBV-RAXLEYEMSA-N	369.323	4.833	50	20	FJGD	
Cn1ncc(Cl)c1/C=C(\C#N)c1nc2cc(C(F)(F)F)ccc2s1	780188083	XPVABUKIEDOUMH-XBXARRHUSA-N	368.771	4.766	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)C(=O)c1ccc(Cl)s1	783687416	IVESZYYQQHJPHK-YCRREMRBSA-N	352.198	4.573	50	20	FJGD	
CCOc1cc(Cl)ccc1NC(=O)NNc1ccc(Cl)c(OC)c1	788634983	SWBDIWPATSZLRQ-UHFFFAOYSA-N	370.236	4.549	50	20	FJGD	
COc1ccccc1/C(C)=C/C(=O)NNc1cc(Cl)cc(Cl)c1	791726908	OEYDDSDDLAMZNB-YRNVUSSQSA-N	351.233	4.549	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cccc(C(F)F)c2)cc1	795391909	IOCQSYFHBGAYIG-YVLHZVERSA-N	357.356	4.673	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c(Cl)c1	797081434	CUABBYZETNLDEH-ZROIWOOFSA-N	350.805	4.928	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1OCCCC#N	809146723	TUHWSNNRIHKIRC-MOSHPQCFSA-N	374.440	4.785	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1	810207444	IWROKXCJVLMNRG-YVLHZVERSA-N	353.381	4.921	50	20	FJGD	
C/C(=C\c1ccc(OCCCCl)cc1)c1nc(O)c2ccsc2n1	811694003	RMHHCZRXUPUPBL-VAWYXSNFSA-N	360.866	4.965	50	20	FJGD	
CCC1(C)CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	812520511	WLOHNRRTBOQAPX-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
CC(C)C1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	815069996	NRFLKWRLSDPRPO-UHFFFAOYSA-N	365.389	4.811	50	20	FJGD	
Cc1c(C(=O)NNc2nc3ccccc3n2C)oc2c1ccc1ccccc12	816579402	OVYGKZCIRWGOJI-UHFFFAOYSA-N	370.412	4.538	50	20	FJGD	
C[C@@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@]1=O	894037165	YIZYVNYOQMZFSU-WSVYEEACSA-N	363.417	4.687	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	918714515	YYTMNWDWCCPZIN-IZZDOVSWSA-N	372.209	4.963	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cn(C)nc2-c2ccccc2)c(C)c1	92844191	AIRBXUPXVZLIHV-XDHOZWIPSA-N	370.456	4.558	50	20	FJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NNc2ccccc2)c1	116974798	LVQPEQLGUZFYRK-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
COCc1ccc([C@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)o1	161562181	FVYPCDFUQRIWTQ-HZPDHXFCSA-N	369.552	4.804	50	20	FJGD	
CCc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	215880079	KPRHDOPMBAMEGY-DHDCSXOGSA-N	366.269	4.894	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730260863	WLVIQBVNVHVLKJ-RVDMUPIBSA-N	362.433	4.849	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2nc3ccccc3s2)c(C)c1	734220627	DDBQXVAHNBNSEZ-AWEZNQCLSA-N	354.479	4.609	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1OC	735618981	HXDMQKZCVYUCEB-ZSOIEALJSA-N	367.836	4.996	50	20	FJGD	
CC[C@@H](NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(F)cc1F	738418669	ZARJQNYSOXDVGD-BDJLRTHQSA-N	364.461	4.537	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(SC)cc1OC	741165025	DPCNRCYMPJHWAC-ZSOIEALJSA-N	365.458	4.675	50	20	FJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	750892425	HDZTWHVNAPRLDO-OVCLIPMQSA-N	364.342	4.905	50	20	FJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1nc2ccccc2[nH]1	758425507	DBHHHRWKVAPWLL-UHFFFAOYSA-N	374.897	4.865	50	20	FJGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1c(Cl)cccc1Cl	763617906	XVLGNGNAEHLEKE-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1Br	765612887	FXGPUVMYILMPMN-YHYXMXQVSA-N	365.133	4.700	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773149018	JVYZXIILBKUPCG-XCVCLJGOSA-N	371.236	4.618	50	20	FJGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)n2c1	773162758	XOOSCQNZJYQVLH-MLPAPPSSSA-N	373.309	4.591	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccccc3)o2)cc1	779703446	HBVYPIXXAAFKTN-FYWRMAATSA-N	360.369	4.626	50	20	FJGD	
Cc1cccnc1NNC(=O)c1ccc(Oc2ccccc2Cl)cc1	791223126	WMYIGDUPCYJESO-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC[C@@H](c3ncccc3C)C2)c2ccccc2n1	799105612	DLEKOUHFNMTENU-QGZVFWFLSA-N	372.472	4.690	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(C(C)(C)C)cc1	807211698	HCZWOLVPZMZSLC-INIZCTEOSA-N	361.489	4.854	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2[C@H]3CC[C@H]2CC(=O)C3)cc1	809981206	CVERPUYRELEEQC-OALUTQOASA-N	359.586	4.904	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2nc3ccccc3nc2C2CC2)cc1	828839463	CCWUCDYDOOABAP-UHFFFAOYSA-N	360.461	4.562	50	20	FJGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	917622050	HURVJEVMXVUOLH-KAMYIIQDSA-N	356.208	4.795	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C(C)C)c1C	917672686	NEYJERWMXCZUDV-LICLKQGHSA-N	369.431	4.611	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCOc2c(Cl)cccc21	919827553	OCROGCSFKWUXNZ-DOMZBBRYSA-N	371.955	4.994	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cn(C)nc1-c1cc2ccccc2o1	920063797	FCFMIFLUXTVKED-OQLLNIDSSA-N	357.369	4.525	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C3/COc4ccc(F)cc43)n2)cc1	920067952	LUIWKODMTIQQCT-MSUUIHNZSA-N	364.401	4.785	50	20	FJGD	
CCOc1ccc(CN(C(=O)CCl)c2ccc(OC)c(Cl)c2)cc1	1116433713	CGOBXTTZKDQEBG-UHFFFAOYSA-N	368.260	4.519	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc2c1OCO2	8120811	JZXRCQLUBZKIAO-VIZOYTHASA-N	362.410	4.612	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1	33927457	BAZZIEKJTFYRHI-QBFSEMIESA-N	356.341	4.795	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1)c1ccccc1	96316169	NORTWPDQDHZPOH-GYZOOYGHSA-N	359.454	4.594	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1ccc(Cl)s1	126610982	UBNKBQMZIDXKIP-UITAMQMPSA-N	353.186	4.753	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C#N	132610536	BNRYBWRIQCPXPI-NVMNQCDNSA-N	368.421	4.626	50	20	FJGD	
Cc1ccccc1[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	151394557	KOBIZPDFODLPSS-SJLPKXTDSA-N	365.564	4.609	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)Nc3ccccc3F)s2)cc1	172043473	BJSQWJRAZKZXOK-XNTDXEJSSA-N	363.417	4.803	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCc1ccccn1	175627385	WWKSUICLTSEXJF-UHFFFAOYSA-N	353.491	4.741	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1)c1ccccc1	207827177	OCCOZHWCMPRXQX-QLENYVDCSA-N	360.388	4.870	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(SC(F)F)c2)cc1	727413170	WOKXHUFMUJVLAR-GXDHUFHOSA-N	374.412	4.946	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3cccnc3C)n2)cc1	728785719	KZAOLEMRJCPGDQ-WQRHYEAKSA-N	374.469	4.622	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c(C)c1	743762186	LZARNYYRTFVAAE-IAGOWNOFSA-N	373.294	4.621	50	20	FJGD	
CCCCCCOc1cccc(/C=C(\C#N)C(=O)Nc2nccs2)c1	747033683	KERFAVJVWCYRCY-FOWTUZBSSA-N	355.463	4.648	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F	747697221	WGGWJPDIZMWJSU-WLXMHCNISA-N	360.310	4.946	50	20	FJGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)NNc1ccc(OC(F)F)cc1	748656392	QSIGGFSGBHGFDW-UHFFFAOYSA-N	368.811	4.653	50	20	FJGD	
COCCN(CCC#N)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752990450	KZUUXOOQUJGIQW-UHFFFAOYSA-N	373.347	4.738	50	20	FJGD	
CC(C)CC(=O)NNC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	757603249	INWXQHLWKWSBPL-OAHLLOKOSA-N	371.506	4.739	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1n[nH]c2c1CCC2	762603433	DCOFXRVTFAURDQ-UHFFFAOYSA-N	353.316	4.808	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c2ccccc21	769727443	SFLDXWCNTKENFN-SFQUDFHCSA-N	358.445	4.527	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	771320991	XBGKXFOHYXHSAD-CYBMUJFWSA-N	370.453	4.645	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)o1	771435827	GKQAOCHWGAXHKY-UHFFFAOYSA-N	370.224	4.522	50	20	FJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)c1ccccc1OC(F)F	776193724	ULDAGGBPSKKADP-GXDHUFHOSA-N	366.323	4.733	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCCOc2cc(F)ccc21	776999963	NPMZAFDFKHUANM-HOCLYGCPSA-N	369.527	4.870	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCCOc2cc(F)ccc21	776999965	NPMZAFDFKHUANM-ZBFHGGJFSA-N	369.527	4.870	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3cc4ccccc4s3)c(C)cc2c1	778480835	PIJUGRYXSFHKIN-UHFFFAOYSA-N	363.442	4.523	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3c(C)[nH]c4ccccc34)sc2c1	788690810	VJMUPCMBJDFZCV-LCYFTJDESA-N	373.437	4.885	50	20	FJGD	
O=C(Cc1cccc(C(F)F)c1)NNc1c(Cl)cc(F)cc1Cl	790559122	LUFIASNTKPGUNI-UHFFFAOYSA-N	363.166	4.756	50	20	FJGD	
COc1ccc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	792550936	VGTUQXXMVVATTQ-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1ccc2ncccc2c1	794884140	GRYAQKMOLPQKDY-YBEGLDIGSA-N	350.324	4.626	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)cc1	798344381	DREKLJLSGQJAFW-LZNAANCOSA-N	350.466	4.832	50	20	FJGD	
Cc1c(C(=O)NNc2ccc3ccccc3n2)sc2cc(F)ccc12	807196648	ZQAZGPPZVWKHLU-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
Cc1nc(C)c([C@H](C)N(C)Cc2ccc(OCCCCl)cc2)s1	811463334	RAULXIPVZWKPIC-AWEZNQCLSA-N	352.931	4.961	50	20	FJGD	
CCN(CC)C(=O)c1ccc(NCc2ccc(OCCCCl)cc2)cc1	811496314	VIMADKJFZSSMBB-UHFFFAOYSA-N	374.912	4.788	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1	812249222	XRTHFCSWVGVRCD-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
CN(C(C)(C)C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	828203741	OFQBQFRMUSQKPH-UHFFFAOYSA-N	353.378	4.763	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2ccccn2)nc2ccccc12	866013747	XJOLFAQEQBYRGV-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(NCc1ccsc1)NNc1c(Cl)cc(Cl)cc1Cl	916406768	LGUJTISPXUDERH-UHFFFAOYSA-N	350.658	4.535	50	20	FJGD	
CCCc1sc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1CC	917213838	AYCMOMZHDIWEIE-UHFFFAOYSA-N	367.858	4.582	50	20	FJGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1F	917516540	XLGIEGBKMWIJAO-FOWTUZBSSA-N	350.393	4.693	50	20	FJGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1	921259221	KLTJFNFWTAQZCZ-XNTDXEJSSA-N	361.470	4.957	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)c1nc(N)c2ccccc2n1	1317810711	UMNLVOKRFHKWSW-XFXZXTDPSA-N	372.375	4.888	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1nc(-c2ccccc2)oc1C(C)C	1320489016	ALVPPOFIVWHCMJ-UHFFFAOYSA-N	353.397	4.669	50	20	FJGD	
Cc1ccc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1C	25510965	XIVCVGFEADJRRD-XDJHFCHBSA-N	352.484	4.918	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1OC(F)F	44028389	SNGBSSLPWFYRRZ-MDWZMJQESA-N	363.385	4.847	50	20	FJGD	
CSc1cc(C(=O)NNc2ncccc2Cl)c(Cl)cc1Cl	133475393	GTSSGTSBQTYIGZ-UHFFFAOYSA-N	362.669	4.521	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1F	151975557	WXKMRWWJSVAUSR-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2cc(F)c(F)c(F)c2)c1C	188856655	XHGOPHQEAWLGLX-UHFFFAOYSA-N	360.335	4.738	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)c1nc(-c2ccccc2)cs1	726876493	SOYSBDQZRVTQDB-YRNVUSSQSA-N	361.257	4.915	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)c1nc2cc(F)ccc2s1	730148676	JMACNPHWBBLBEN-OVCLIPMQSA-N	358.401	4.957	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1)c1ccccc1	732714739	XFZODWTXLXPDND-RVDMUPIBSA-N	363.417	4.519	50	20	FJGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(SCC(F)F)cc1	741756125	CNKJIIIAEBJDHC-UHFFFAOYSA-N	373.428	4.679	50	20	FJGD	
COc1cc2ccccc2cc1C(=O)NNc1ccc(Cl)cc1Cl	748017668	JXFGJDCSDRPBRF-UHFFFAOYSA-N	361.228	4.912	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3scnc3c2)c1C	748517236	DTVMMJONKLKXHS-SXGWCWSVSA-N	364.474	4.670	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)ccc1OC	749454220	ZHNLGLYVHHKGJM-JQFNYASXSA-N	365.429	4.671	50	20	FJGD	
CCC[C@@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	757850129	MSGWORDYZKXHOX-HXUWFJFHSA-N	355.462	4.513	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1	764889512	ZUAWHKIJIMSPQJ-AQTBWJFISA-N	355.397	4.728	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2nn(-c3ccccc3Cl)cc2C)c(C)c1	767083643	BFFBRVPQGSBTCA-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cn(C)nc3C(F)F)n2)cc1	812241353	GWLSOIGTDZTZNV-NTUHNPAUSA-N	356.401	4.854	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1	917216091	SXBYEQXVIARNFM-UHFFFAOYSA-N	365.842	4.506	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2c(c1)oc1ccccc12	1346573671	QMGNYJCOCWWTKV-UHFFFAOYSA-N	353.381	4.891	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC(F)F)cc2)c1C	6329002	HYTGPYTYNRNQMI-LFIBNONCSA-N	373.403	4.662	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1	114537159	OCAQOUCAOYQLMU-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
Cc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1Br	156858688	YKEFJDNKXIKLDJ-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(Br)cc1Cl	158369849	NYDNADJEWCTSBF-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(F)ccc1OC	175622826	GNJHIUKJZKPRAS-UHFFFAOYSA-N	358.438	4.785	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cccnc1Sc1ccccc1	178503808	JBAYINYFWYJYET-UHFFFAOYSA-N	372.453	4.538	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccn1Cc1cccs1	178885649	UAXFOQJAEQDWRF-UHFFFAOYSA-N	366.273	4.662	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](CO)C1	181777277	VBTIBVLTMGAAHH-SNVBAGLBSA-N	360.348	4.580	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)nc2ccccc21	193339941	FAGOEGFGRICBJE-RGEXLXHISA-N	366.424	4.611	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OC	213116340	QWHKPZWPBHAILY-PDGQHHTCSA-N	364.445	4.647	50	20	FJGD	
C[C@H](N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)O	296974904	XKGODQCNLLHUQK-VIFPVBQESA-N	362.364	4.967	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3cc(F)c(F)cc3F)ccc2c1	734555126	UWTAYQGKOCQEKS-NSHDSACASA-N	374.362	4.513	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2ccccn2)c(C)n1C1CCCCC1	736465763	MSGBFHHJVPLLRX-XMHGGMMESA-N	362.477	4.575	50	20	FJGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1cccc2c1CCCC2	748580476	DDKHQTOYLISVAK-UHFFFAOYSA-N	363.486	4.754	50	20	FJGD	
O=C(NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1	761724057	OHFLKYSMXNMYCA-UHFFFAOYSA-N	361.367	4.544	50	20	FJGD	
O=C(CC(F)(F)F)NN=Cc1ccccc1Oc1ccc(F)cc1Cl	763406296	LOSHSAXHSXSTCI-UHFFFAOYSA-N	374.721	4.674	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C)nc3)n2)c1	764884628	GIMPGOXRUXNQHO-RQZCQDPDSA-N	374.469	4.676	50	20	FJGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)c1ncc(-c2ccccc2)o1	766749760	PDTWNYMHHSFKHS-FZMZJTMJSA-N	366.255	4.755	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)Nc1ccc(SC(F)F)cc1	772805719	HWFLCMSBINUHRN-MDWZMJQESA-N	373.359	4.558	50	20	FJGD	
N#C/C(=C/c1occc1Br)C(=O)c1ccc(F)c(Cl)c1	773153511	HDULXAKZTITESB-TWGQIWQCSA-N	354.562	4.624	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	773165100	SAGGWWILHZXMAQ-ZROIWOOFSA-N	366.779	4.826	50	20	FJGD	
CC1(C)C[C@H]1CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777944693	GNHCUMBLGGWPCU-VIFPVBQESA-N	365.389	4.668	50	20	FJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1	779220385	AHVDUKGZTDGOKP-CXUHLZMHSA-N	367.330	4.799	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1ccccc1)c1ccccc1	787127530	DZIPIKYCVLQXJG-HMMYKYKNSA-N	354.409	4.533	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)c3ccc([N+](=O)[O-])c(C)c3)sc2c1	788732121	NWHZEIRMAJITNE-MDWZMJQESA-N	351.387	4.586	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)Cc1cccc(Cl)c1Cl	790013857	NKNFUUVYEZSNSJ-UHFFFAOYSA-N	360.244	4.536	50	20	FJGD	
Cc1cccnc1NNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1	791216347	QVRSIEGQZOPWIF-SFHVURJKSA-N	367.449	4.506	50	20	FJGD	
Cc1cc(Br)ccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791727594	YPODYWNGOUJZHL-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1noc([C@H](C)NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)n1	792877743	OQLKGDNXLZFCOV-AWEZNQCLSA-N	361.562	4.751	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cn1	799704949	OVPOHRWRUBDMDA-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccccc1O[C@@H](C)C#N	812960171	GRFOKGJXRYLHIA-HNNXBMFYSA-N	352.438	4.558	50	20	FJGD	
Cc1ccccc1COc1ccccc1C(=O)NNc1ccc(F)cc1F	876960985	BURQJPHGGTZOMW-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@H](C)CC	914612279	ZAEBLMYXCWULJY-DAOWHZPBSA-N	373.541	4.647	50	20	FJGD	
O=C(Cc1cccc2ccccc12)NN=Cc1c(Cl)cccc1Cl	916661175	SJROLBSHUYPFBZ-UHFFFAOYSA-N	357.240	4.839	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)Cc2cccs2)c1C	917514826	LBBQSMYYXQOBGP-CPNJWEJPSA-N	369.534	4.922	50	20	FJGD	
CC(C)(NCCP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1	1322186288	ILRSMCYNKNHQJS-UHFFFAOYSA-N	369.489	4.949	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c(C)n1C1CCCCC1	1644934154	JOPBGJLJKBNUQI-WHHKDYNRSA-N	365.521	4.678	50	20	FJGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	55040323	RZBHZUFMFODMIA-ZROIWOOFSA-N	361.788	4.514	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1	96669443	WYZAXMHWBPBFRP-NVNXTCNLSA-N	352.242	4.640	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)Oc1ccccc1	175622215	HDDRMILJLQLRKH-AWEZNQCLSA-N	354.475	4.791	50	20	FJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1cccc2cnccc12	178500635	MGBUAHMOBYHLLV-UHFFFAOYSA-N	357.866	4.757	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-]	206997609	PTCMWHHDNPQNMM-GHXNOFRVSA-N	361.184	5.000	50	20	FJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c2ccccc21	254969328	KDHPLSRLYRRLOD-VBKFSLOCSA-N	364.408	4.826	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)c1cnc2ccccc2n1	588580984	WUNDRYIMZOBDNG-QPEQYQDCSA-N	373.309	4.774	50	20	FJGD	
C/C(=C/C(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1Cl	728717027	PLKJAUYDBBMRGZ-LUAWRHEFSA-N	354.759	4.905	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)N(C)c3ccccc3)cs2)cc1	732716150	IAJVJNWKXCFVJP-SFQUDFHCSA-N	359.454	4.689	50	20	FJGD	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCP(=O)(c1ccccc1)c1ccccc1	744403741	XVGSKWRZSWCGRZ-VIZSFHNOSA-N	367.473	4.654	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1Br	746392579	DZJRWQNGAWUCCQ-GDNBJRDFSA-N	366.218	4.872	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccccc2SC(F)(F)F)cc1Cl	753302033	DRHQJPUTCBPKND-UHFFFAOYSA-N	371.771	4.580	50	20	FJGD	
O=C(NN=CCCC1CCOCC1)Nc1ccc(-c2ccccc2)cc1	764908684	CWSOPIHLONYDCH-UHFFFAOYSA-N	351.450	4.668	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccccc2NCCC2=CCCCC2)cc1	765005065	VSPUNGCYXMLBJW-UHFFFAOYSA-N	360.461	4.618	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ncoc1-c1ccc(F)cc1	771412633	CYCGTVWDPMSAMQ-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143955	GWDUOFZINJRQJR-VZUCSPMQSA-N	366.339	4.968	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1cccc2cnccc12	775544231	DIRZJFYBTMETAM-UHFFFAOYSA-N	366.490	4.804	50	20	FJGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNc3ccnc(F)c3)o2)cc1	781366245	AFJZAEOZUZJNQX-UHFFFAOYSA-N	353.397	4.535	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC(c2ccc(Cl)cc2)C1	783821694	NZAMCXIDYPLRQG-UHFFFAOYSA-N	363.244	4.665	50	20	FJGD	
Cc1cc(NNC(=O)c2scc(C)c2Cl)ccc1Br	790802995	AMVRZNVNFWQPFY-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
CCOc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1OCC	791714293	HYMLSTFUCQJJSA-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
Cc1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n(C)n1	794268298	GPELSSIOLMWHIV-UHFFFAOYSA-N	370.347	4.708	50	20	FJGD	
CCCCn1nc(C)c(C=NN(CCC)C(=O)OC(C)(C)C)c1Cl	794997556	YEFHBWPRRYTJQL-UHFFFAOYSA-N	356.898	4.626	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1	799759104	HIKRMISNRFUONX-UHFFFAOYSA-N	369.852	4.552	50	20	FJGD	
Cc1c(C(=O)NNc2nccnc2C2CCC2)oc2c1ccc1ccccc12	805468892	JDJXTZFHERYTNX-UHFFFAOYSA-N	372.428	4.709	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1OC(F)F	810218216	HJBCUACGSXVSFM-QPEQYQDCSA-N	363.747	4.740	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)c(C(F)F)n1	812241986	PMCITBHXHMTYPY-YWEYNIOJSA-N	350.781	4.685	50	20	FJGD	
Cc1nocc1COC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	849654600	ZNGMFLHMWKNFDV-VCHYOVAHSA-N	367.449	4.557	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCN(c2nc(Cl)c(C#N)s2)CC1	853896888	NTEGBOHEDXCKTL-UHFFFAOYSA-N	372.010	4.906	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccccc3Cl)o2)cc1	912646901	XSTBQBIQNNCSMG-UHFFFAOYSA-N	354.793	4.560	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(C(F)(F)F)cc1	913188577	ZFYLRAZKNPFCSX-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccccc1Oc1ccccc1	6890134	URXQYIZFCNUEBO-GHRIWEEISA-N	356.381	4.730	50	20	FJGD	
C[C@H](Sc1ccccc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	25592121	MERIECSQQVFASJ-MSXRGENMSA-N	356.447	4.828	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(Cl)cc1Br	158406066	VEFKWPQMKKCZAK-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1cc(F)c(F)c(F)c1	175503167	ZDRKRUXTRGUJDQ-LBPRGKRZSA-N	365.399	4.626	50	20	FJGD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259232	SXGPSLQIBATYGC-MFKMUULPSA-N	374.375	4.969	50	20	FJGD	
CC(C)c1c(C(=O)NNc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1	192790669	ABKCRMJFOCFWEX-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
CCN(C)c1ccc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)cn1	588579603	VCYINTHXDFRKCU-JYRVWZFOSA-N	354.866	4.865	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)s1)C(=O)c1cc(F)cc(F)c1	588598156	FOIJSWSLHGNZEW-ZSOIEALJSA-N	352.365	4.878	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1csc(COc2ccc(Cl)cc2)n1	726429789	VXJPRMDHPZTXLT-YFBAIUBQSA-N	360.866	4.898	50	20	FJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1ccccc1	733081020	KGABZIFCFBWBIY-DHDCSXOGSA-N	361.382	4.508	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)s2)cc1	734306258	NQEZPRHPGJAZMV-LYTHMUMPSA-N	365.502	4.720	50	20	FJGD	
C[C@@H](CNC(=O)NNc1ccccc1C(F)(F)F)Sc1ccccc1	745902055	XZCJTTAEQHIKOO-LBPRGKRZSA-N	369.412	4.512	50	20	FJGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)c1ccc2ccccc2c1	747754147	ZXSUICCYNQUVEI-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@@H](Sc1ccccc1)c1ccccc1	748087285	OHBAWNUFHDADAM-IBGZPJMESA-N	352.434	4.802	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	750802240	WOPGFCXOLGINCR-CEKDZDEISA-N	370.855	4.789	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cn(C(C)(C)C)nc1-c1cccc(OC)c1	759641264	CUVUBSJCZLJLSW-VUVCFOEZSA-N	365.477	4.836	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2scnc2C2CC2)c1C	762698548	ZJGOAYBIHNPGOC-YVLHZVERSA-N	368.506	4.785	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c2ccccn12	783713868	BXYWUJSTKPZBPA-XFXZXTDPSA-N	355.850	4.962	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)C(C)(C)C)c(C)n1C1CCCCC1	786431240	OCMZRZIMZQCRHJ-PDGQHHTCSA-N	370.493	4.676	50	20	FJGD	
C[C@]12CCN(C(=O)CCCC[C@@H]3CCSS3)C[C@@H]1C2(Cl)Cl	791179968	IBVSDHQFFPUESR-DYEKYZERSA-N	368.395	4.743	50	20	FJGD	
Cc1ccc(-c2ccc(C)c(NC(=O)c3c(C)nn(CCCl)c3C)c2)o1	794094094	KEJUDZDYAJZDKT-UHFFFAOYSA-N	371.868	4.868	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@H]2CCSS2)Cc2ccccc2O1	809221547	UCEMSXBTLLAWQH-INIZCTEOSA-N	365.564	4.900	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)c3cc(C(F)(F)F)ccn3)s2)cn1	812248021	BMFOLTQYKKWHON-WDZFZDKYSA-N	360.364	4.627	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(C(F)(F)F)nc1C	812765043	TYVGFQTXFXNNPP-UHFFFAOYSA-N	351.372	4.598	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(Cn2cccn2)cc1	812929212	WIXASAABMOALNM-UHFFFAOYSA-N	363.465	4.512	50	20	FJGD	
COc1cc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)ccc1OC(C)C	814755532	CABUJQOZVONZGM-KRWDZBQOSA-N	366.461	4.536	50	20	FJGD	
CC1(C#N)CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1	834936234	SROXIYPGJSKSDY-UHFFFAOYSA-N	355.438	4.744	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(C)cc2Cl)cnn1C1CCCC1	836937791	MZZMLUNGQKFTOR-UHFFFAOYSA-N	360.889	4.669	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CCc2ccco2)c1C	843314603	JUNKVNSSIBXIMY-ZGPWBKFBSA-N	367.493	4.543	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)c1ccc(Br)s1	107066970	KYWLEHXMHLZHRU-VURMDHGXSA-N	354.175	4.579	50	20	FJGD	
CCCc1c(C(=O)NNc2c(Cl)cccc2Cl)[nH]c(C)c1C(C)=O	132741580	UEUZGNJLRZEJDT-UHFFFAOYSA-N	368.264	4.542	50	20	FJGD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)/C(=C/C#N)c1ccccc1	152444259	LFBFQUNAQPPQEK-LDADJPATSA-N	373.378	4.530	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccccc3n2C)cc1OC	169954481	IUZDKGGLDOBRLY-ZROIWOOFSA-N	367.836	4.698	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-c2ccccc2Cl)o1	172089193	HODGJUMGLXCMPR-UHFFFAOYSA-N	366.726	4.774	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cccc2nn[nH]c12	188839823	IDFBZUNCPCOQOU-UHFFFAOYSA-N	364.299	4.868	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1OCc1ccc(Cl)cc1	301237395	DBFBDEYVPCPYFF-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)[C@H](C)CC	726430395	SCTCBBJMDLTGBZ-ZMTLZGASSA-N	350.256	4.760	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)Cc2cccc(Cl)c2)cc1	729838405	KFKLASLRUCCNKA-PDGQHHTCSA-N	368.864	4.694	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(SC)c(OC)c2)c1C	746352579	ADFJPBXSUXLYOA-GZTJUZNOSA-N	366.486	4.811	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1C[C@H]1c1cccc2ccccc12	746702216	QMWICUFEKNTXOY-JKSUJKDBSA-N	356.347	4.504	50	20	FJGD	
O=C(NN=C1CCC2(CCOCC2)CC1)c1cc2c(s1)CCCCCC2	751523118	WQJYJAKRYFIRLE-UHFFFAOYSA-N	374.550	4.864	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cc2ccccc2s1	752086028	ZAWUPMJHDRITCX-BVTUPMQUSA-N	350.418	4.825	50	20	FJGD	
O=C(C[C@@H]1CCCCO1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	755150944	TYUKQFQFBBJITL-HZMBPMFUSA-N	367.820	4.804	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cnc1Cl	760208840	AHBXOSSQZSZFDG-VZUCSPMQSA-N	366.635	4.896	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc2ccccc2cc1OC(F)F	761242453	OBBKOSYOCYXOMW-UHFFFAOYSA-N	362.763	4.852	50	20	FJGD	
Cc1ccc2c(CC(=O)NNc3c(Cl)cc(F)cc3Cl)c[nH]c2c1	767410616	VXNXJLJLEOUFCA-UHFFFAOYSA-N	366.223	4.608	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)c1cc(F)cc(F)c1	772177428	VSZOJJSZWSBLNT-UUILKARUSA-N	353.246	4.653	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)c1cccc(F)c1	772178907	KUWCWFRUCZAZHJ-LFYBBSHMSA-N	350.176	4.931	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3c(F)cccc3Br)[nH]c12	794874828	KAOBQQURCOHXRS-DHZHZOJOSA-N	356.198	4.837	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	794943956	ASIRUMLPNYOHAH-XFFZJAGNSA-N	366.225	4.631	50	20	FJGD	
COc1ccc([C@H](NCc2ccc(OCCCCl)cc2)C2CC2)cc1	811472268	CLCZBCXQUAABLO-OAQYLSRUSA-N	359.897	4.944	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(NC(=O)C2CC2)cc1	812918198	PLTWIVDULHEVMG-UHFFFAOYSA-N	366.465	4.616	50	20	FJGD	
Cc1ccsc1C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817016344	QIKOQNIPIWINGK-UHFFFAOYSA-N	368.302	4.851	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)cc1	817886060	VCMLSKWDUFYCBW-NSHDSACASA-N	353.249	4.639	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2csc(-c3ccsc3)n2)cc1	920365236	MBBBVSKWKMEVDF-UHFFFAOYSA-N	369.515	4.933	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cc3ccccc3s2)cc1	920746990	NFGXDFORRQENGU-BOPFTXTBSA-N	362.454	4.523	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5215041	PBYHZYYUGQZBOS-VBKFSLOCSA-N	373.368	4.709	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nnc4n3CCCCC4)c2C)cc1	33474468	ZWJCODZAMJDMSP-ZHZULCJRSA-N	371.488	4.785	50	20	FJGD	
CCCOc1c(/C=C(/C#N)c2nc3ccccc3n2C)cccc1OCC	205581783	VTHSMVNHIKLMAL-VKAVYKQESA-N	361.445	4.825	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCOc1ccc(Cl)cc1	302713204	YQKNKAONIASMHU-OAHLLOKOSA-N	359.944	4.549	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	588555607	QMCSNQIKZBYRNG-RAXLEYEMSA-N	351.880	4.758	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1	726428516	NHDVPGGESJGZSX-YHZJOHHESA-N	363.417	4.885	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)NNc2cccc(C(F)(F)F)c2)n1	726871200	GGRRPPILWXCXNB-UHFFFAOYSA-N	358.389	4.608	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@H]1CCCO1	743055928	NFQURCSSJSAPER-XBJPGOICSA-N	361.869	4.810	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H]1c1ccc(O)cc1	744335381	YKQJLBOGLIXNNL-SJORKVTESA-N	351.537	4.770	50	20	FJGD	
C=CCCC(CC)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	750917699	KQKZKQYLCRNVPD-UHFFFAOYSA-N	358.445	4.759	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2Cl)nc(-c2ccc(Cl)cc2)n1	752144287	UWFMABKRJGLSDE-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl)c1ccccc1	761485156	FBHWRKOBZXQAQV-IPJDOKCGSA-N	360.244	4.563	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	761588363	IFTFOJUKWAKGKS-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
Cc1nc2ccc(C(=O)NNc3c(Cl)cccc3Cl)cc2s1	762072518	DCNGEGJEKRGEDT-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
C[C@@](CO)(NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	762976942	YXYMZEPOLIIYPE-ZDUSSCGKSA-N	360.348	4.627	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(Oc2cccc(F)c2)cc1	766492446	YDAJMSJDQOWDKJ-XDHOZWIPSA-N	359.422	4.697	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1csc(-c2ccsc2)n1	766747108	KORNHZXUDDEPJQ-NSHDSACASA-N	374.325	4.724	50	20	FJGD	
N#CC1=CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1	767176916	KNNYLUFYIWSEKS-UHFFFAOYSA-N	356.347	4.668	50	20	FJGD	
O=C(NNc1ccc(Br)c(F)c1)c1ccc2sccc2c1	771680225	FTWDMXXCZNEOHQ-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)o2)cc1	779703447	HBVYPIXXAAFKTN-SQFISAMPSA-N	360.369	4.626	50	20	FJGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cc(-c2ccccc2)ccc1Cl	791955702	OAKJYRHGLHIBII-UHFFFAOYSA-N	361.829	4.568	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)cc1C(F)(F)F	799756660	GQNQTDOCMAIVIA-UHFFFAOYSA-N	356.775	4.987	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(c2noc3cc(F)ccc23)CC1	810045891	JBZPHWVQUYMXBR-GXHLCREISA-N	365.383	4.850	50	20	FJGD	
Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(OCCCCl)cc2)s1	811463335	RAULXIPVZWKPIC-CQSZACIVSA-N	352.931	4.961	50	20	FJGD	
CC(=O)CCc1ccc2oc(C(=O)NNc3ccc(Cl)cc3)c(C)c2c1	865979193	RXXMUQGHXZEILU-UHFFFAOYSA-N	370.836	4.673	50	20	FJGD	
CCC(CC)(Cc1nc2ccccc2s1)C(=O)NNc1ccc(F)cc1	915193776	UCLXRTODIVOOIS-UHFFFAOYSA-N	371.481	4.928	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(C2CC2)nc2ccccc12	916745982	XBRNWIGFGOWFMQ-UHFFFAOYSA-N	371.362	4.888	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1c[nH]c3cc(C)ccc13)O[C@H](C)C2	920067744	AIYSESTWXWLESR-CNGOAVBNSA-N	372.424	4.598	50	20	FJGD	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=C/C=C\c1ccco1	920357614	URNBFSOMYAJQQY-ICLAZUFCSA-N	367.232	4.561	50	20	FJGD	
COc1cc(C(=O)NNc2ccc(C)c(Cl)c2)cc(OC)c1C(C)C	1325096466	OGWVNUTZKUFIDV-UHFFFAOYSA-N	362.857	4.546	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3ccc(C#N)cc3)o2)c(C)n1CC(C)C	1325782812	HPFYIOURKFQTLK-KEBDBYFISA-N	371.444	4.747	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CCC[C@@H](C(=O)O)C2)c1	1776269151	VNZWEZUALYQOEF-SJORKVTESA-N	363.574	4.804	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC2CC(CCC(=O)O)C2)c1	1776270345	OQBQSEJPARFQNL-UHFFFAOYSA-N	363.574	4.804	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1	128874756	PPWILHIDHQSDFK-IUCAKERBSA-N	372.284	4.656	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(CSc3ccccc3)cc2)c1	152447475	GWEYCDJVOMYGPF-UHFFFAOYSA-N	359.454	4.607	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(COc2ccc(OC)cc2)n1	171019348	ZPORAQMAYXUHTI-XNTDXEJSSA-N	370.474	4.643	50	20	FJGD	
CCC[C@H](NC(=O)NNC(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1	728746760	DKADVDQGRREEAI-AWEZNQCLSA-N	374.312	4.601	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cnc3c(C)cccn23)cc1	741469184	OLGGEXVJUJOQFP-AQTBWJFISA-N	358.445	4.531	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)Oc1ccc(Cl)cc1	742875532	JNKBOBCKLOTPCL-XJKSGUPXSA-N	373.971	4.938	50	20	FJGD	
Cc1c(F)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	744810212	OLERIVOCZOHGQF-VCHYOVAHSA-N	353.441	4.754	50	20	FJGD	
CC[C@H](C(=O)NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1	752806852	OKHQTOCSHDBTII-LBPRGKRZSA-N	358.310	4.621	50	20	FJGD	
Cc1ccc(-n2c(SC/C=C/C#N)nnc2-c2ccccc2F)cc1	763300131	XOFOOYAKKIERQI-SNAWJCMRSA-N	350.422	4.554	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(Cl)c(F)c3)c2)c1	769157938	ZUMDGDVLAASGNP-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(OC(F)F)c(Cl)c1	775445546	QNPVBCCTILSDRH-UHFFFAOYSA-N	362.163	4.743	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3cccc(F)c3)no2)cc1	780804978	NNOSEZWEVUKMNP-UHFFFAOYSA-N	353.397	4.535	50	20	FJGD	
O=C(/C=C\c1cccc(O)c1)NNc1c(Cl)cc(Cl)cc1Cl	781066332	CZMXXGYLEOCANA-PLNGDYQASA-N	357.624	4.509	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	782522705	FNAIFXMTKRMRCH-VBIXMBBUSA-N	358.363	4.643	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC(F)(F)F)C(C)C)c1C	782946023	OEQGQYSGMBDFKB-VHEJECIDSA-N	369.431	4.515	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3cccs3)nc2C)ccc1Cl	790179184	LRFWJJCVIIOZRT-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)c(Br)c1	794691176	MPBSGGYDHGGJNJ-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc2ncccc2c1	794884892	NNNHILQIFDMNQI-OVCLIPMQSA-N	363.760	4.586	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)c1ccc2ncccc2c1	794965360	RAYVPNDJRNJUEZ-PDGQHHTCSA-N	351.365	4.680	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cc2ccccc2o1	812387728	QOURDFXTVQZDMT-UHFFFAOYSA-N	370.408	4.629	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CNCc2nc(C3CC3)n[nH]2)c1	922154231	LJEZHRPPCGUPAN-UHFFFAOYSA-N	354.348	4.629	50	20	FJGD	
OCc1ccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)o1	158800000	LOTMQLUWULIESC-CYBMUJFWSA-N	351.777	4.603	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccc(F)cc2Br)nc2ccccc21	178298248	UVVVVHVOPLNDFM-WQLSENKSSA-N	356.198	4.539	50	20	FJGD	
C[C@@H](NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)C	187562626	FVLKXBKFSVJPCE-SECBINFHSA-N	374.375	4.833	50	20	FJGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	212127747	MOBAYBIYXFLIMI-UVTDQMKNSA-N	371.223	4.551	50	20	FJGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3cccc4ncccc34)o2)cc1	730147579	WYZAYEIKCGFAKX-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cc2c(s1)-c1ccccc1OC2	777463687	PIMBUSLSJGJPIF-UHFFFAOYSA-N	373.437	4.613	50	20	FJGD	
COc1cc(NNC(=O)c2ccccc2CCC(F)(F)F)ccc1Cl	790179485	RTDYZFFREPPXRJ-UHFFFAOYSA-N	372.774	4.600	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Cc1csc(-c2cccc(C)c2)n1	799755174	JBWPCRPTRZYQGJ-UHFFFAOYSA-N	365.502	4.675	50	20	FJGD	
CCc1cccc2c1OCC[C@H]2NCc1ccc(OCCCCl)cc1	811479882	LNWYZOQTYCOIQK-HXUWFJFHSA-N	359.897	4.870	50	20	FJGD	
C[C@H]1CN[C@H](C)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179281	MUOKXVNSBZOTJE-ZJUUUORDSA-N	359.364	4.558	50	20	FJGD	
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1	841179546	POQJQCVZUWBLMA-KOLCDFICSA-N	359.364	4.606	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)Nc1cc(Cl)ccc1Cl	915848008	GFDUFSVZSOLDBL-YHYXMXQVSA-N	353.155	4.817	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12	916362243	XDOCIULBNGVEBH-UHFFFAOYSA-N	367.452	4.762	50	20	FJGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1[nH]c(-c2ccccc2)nc1C	917544602	BSILZOFISAUNPZ-UHFFFAOYSA-N	368.440	4.692	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)c1ccccc1	920062909	FQVLJRHWHOTAEJ-SDNWHVSQSA-N	368.223	4.969	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1OC(F)F	8244646	CGPMYXAOEKZTLW-GXDHUFHOSA-N	361.319	4.616	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2c(F)cc(F)cc2C1	122570549	VBFIBOAIGYEERR-AWEZNQCLSA-N	357.491	4.564	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1Cl	134288385	IXMYZUONZVPVFK-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)CCCC[C@@H]1CCSS1	181731404	IOVLCODTPCDJFQ-GFCCVEGCSA-N	363.470	4.776	50	20	FJGD	
CCN(CC(C)(C)O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181777600	VZHMUTOGSQFKGM-UHFFFAOYSA-N	362.364	4.969	50	20	FJGD	
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181780242	OFZWXJHSAHAGFZ-NXEZZACHSA-N	362.364	4.873	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)co2)cc1	193164458	LFATUKASTBLIPW-OVCLIPMQSA-N	350.324	4.718	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1OC	255086389	GTERVBHLRPYTOU-ZROIWOOFSA-N	371.795	4.842	50	20	FJGD	
Cn1c(/C(C#N)=C/c2cn(CCC#N)c3ccccc23)nc2ccccc21	301398481	GPEUSGKZOJMKLO-DTQAZKPQSA-N	351.413	4.506	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccs2)n1)c1nc(-c2ccccc2)no1	728439120	FGDOZPVTZRSHQT-UKTHLTGXSA-N	362.439	4.986	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)c2nc(C)cs2)c1C	739588576	YVJBLRIHMPDEKD-WOJGMQOQSA-N	370.522	4.630	50	20	FJGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743672854	FYMJVSAFCPVBRJ-CVEARBPZSA-N	368.481	4.514	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	748769134	CCKOQIJGKPETDW-GJZGRUSLSA-N	372.255	4.788	50	20	FJGD	
O=C(NNc1c(F)cccc1F)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	751391225	HUEMPNYEEDVCCV-HLASGMPESA-N	374.353	4.557	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(F)c1	757920036	PBAMTAAILMYUOL-WUXMJOGZSA-N	369.339	4.927	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1CCC(c2ccccc2)CC1	775251510	UEWKDPULYGSIME-UHFFFAOYSA-N	363.383	4.518	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)NC(c1cccs1)c1cccs1	781091646	YCUFVHRHJYGXFL-ZDUSSCGKSA-N	372.353	4.825	50	20	FJGD	
CC[C@@H](C)n1nc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1C	792358731	BRLPIYLRNJUFGP-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cn1	797787581	WDCBVCWXEJEWEP-GHRIWEEISA-N	357.388	4.778	50	20	FJGD	
Cc1ccc(-c2csc(COC(=O)/C(C#N)=C/c3ccccc3)n2)cc1	803484021	OVWRYRSKZQQSTO-WOJGMQOQSA-N	360.438	4.769	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)c(C)c1	921259469	UMXRZAUDMDVFTO-YBEGLDIGSA-N	374.362	4.790	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC2CCC(C(=O)O)CC2)c1	1776269167	YZWIPXDPCDFGGL-UHFFFAOYSA-N	363.574	4.804	50	20	FJGD	
O=C(NN=C1CCCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1	20930525	UFLCTZGMADOWQH-UHFFFAOYSA-N	358.445	4.589	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)ccc1OC	23702221	KSSCWXCBFQUHRX-GXDHUFHOSA-N	369.371	4.903	50	20	FJGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)c1ccccn1	95950273	DWIVMUOCTKCOGQ-LCYFTJDESA-N	355.228	4.947	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1ccc(C#N)cc1	175622795	NDGURNAUSHYQST-UHFFFAOYSA-N	363.486	4.828	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1	192539953	PKSMPDXOSDRMIS-MHWRWJLKSA-N	369.380	4.621	50	20	FJGD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1C	193432083	UISJRWWJRHWKII-VHSXEESVSA-N	372.359	4.539	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(CSCC)c2)cc1	741707168	LRMIFAMUZTWDKJ-LDADJPATSA-N	366.486	4.884	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccccc1OCc1ccccc1Cl	748098929	MHCWJFYFZGHYFD-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
O=C(CCn1cccc1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	749131289	BZUVPOAMMONFAA-AWEZNQCLSA-N	362.804	4.736	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cncc(Br)c2)cc1	767352395	SOZDCZSUSXPDLX-NVNXTCNLSA-N	369.262	4.931	50	20	FJGD	
CSc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)ccc1F	767404870	JCPSIJYYGIXBTG-UHFFFAOYSA-N	363.216	4.750	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(-c3ccc(F)cc3C)o2)ncn1	773176059	IUBFMDMXWZQCIJ-JYRVWZFOSA-N	351.406	4.970	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1OC(F)F)c1ccccn1	776725173	FOCUXXSDEOOAKW-FLIBITNWSA-N	351.150	4.510	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H](C)c1ccc(C)o1	787265931	IQQHXDHWLMQLDS-OKSBFYSISA-N	352.434	4.591	50	20	FJGD	
Cc1ccc(-c2csc3nc(CCCBr)nc(O)c23)s1	790109618	FZKSPOLIKCLVIK-UHFFFAOYSA-N	369.309	4.761	50	20	FJGD	
CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)Cc1cnn(C)c1	792861608	FEJFBRAKSDSKER-UHFFFAOYSA-N	359.590	4.574	50	20	FJGD	
CC(C)(C)c1cnc(CCC(=O)NN(c2ccccc2)c2ccccc2)o1	800795765	UOIJRMIFZLFJIF-UHFFFAOYSA-N	363.461	4.774	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(-c2cnn(C)c2)c1	801648337	XNRGMWONRQLGED-ODLFYWEKSA-N	370.456	4.558	50	20	FJGD	
ClCCCOc1ccc(CNC[C@H]2CCCO[C@H]2c2ccccc2)cc1	811475440	FOFHKLYVYMVJPR-IRLDBZIGSA-N	373.924	4.952	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cn3ccc(Br)cc3n2)n1	811690815	GEGGXOYSMYMBTI-WZUFQYTHSA-N	373.279	4.741	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1	817880094	VXEMFDJRCCGWEC-IRXDYDNUSA-N	365.260	4.639	50	20	FJGD	
CCOc1ccc(NNC(=O)c2sc(-c3ccccc3C)nc2C)cc1	817930871	IQEJEUUXHPAKOK-UHFFFAOYSA-N	367.474	4.583	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1-n1cccc1	821698948	PIYWIKYLZMWEOI-UHFFFAOYSA-N	359.351	4.561	50	20	FJGD	
CCCN1C[C@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1=O	839724708	BKSUSMNMNVDWPE-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2cc(C)ccc2C)cc1	862357147	VHAYDUKGEKGFTM-UHFFFAOYSA-N	358.441	4.600	50	20	FJGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1cc(-c2ccccc2)on1	917543375	NHNDXHHPDGJEJL-UHFFFAOYSA-N	373.437	4.834	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1F	1319571772	JWBRYJHBUZGYGA-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cccc(CC(=O)O)c2)CC1	1776779101	RNHSSHSDRGXDSN-MOSHPQCFSA-N	353.462	4.786	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1C1CCCCC1	16185111	CPMOEVVRLVNLPD-AQTBWJFISA-N	363.461	4.861	50	20	FJGD	
Cc1cccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1	33471311	CMPQMJWBVBHGQH-ZSOIEALJSA-N	352.242	4.640	50	20	FJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2cccc(Cl)c2)cc1	69374736	LGKINIFWONUDMB-UHFFFAOYSA-N	374.868	4.625	50	20	FJGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1cccc2cnccc12	178850531	LHPJJOIVDWUROI-UHFFFAOYSA-N	362.477	4.758	50	20	FJGD	
CC(C)[C@@](C)(O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184408939	PKZCRYHJEWNMJH-ZDUSSCGKSA-N	362.364	4.873	50	20	FJGD	
C[C@H](O)C[C@H](C)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184427144	KAUCOPAEYWCZFH-UWVGGRQHSA-N	362.364	4.873	50	20	FJGD	
C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192255821	MVZANUGLLPKJON-VHSXEESVSA-N	360.348	4.985	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	215193525	FWEJGXRYAIBDHK-ODLFYWEKSA-N	366.424	4.511	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2cccs2)c1C	735018776	XQQHUEWJNQPDOG-AQTBWJFISA-N	369.534	4.925	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1F	739427749	XXIGWKTYWIHTML-LDADJPATSA-N	365.452	4.834	50	20	FJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1cccc(Br)c1	756018232	RLJMFWUTZHMKHT-PKNBQFBNSA-N	365.658	4.649	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccc[nH]3)c2C)c1	760723773	BIWOUTWSMLWSDM-UOBPLZBXSA-N	372.472	4.515	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc[nH]2)c(C)n1C1CCCCC1	760726277	CFEDMBHJWANJDE-HUCUOGIVSA-N	364.493	4.723	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21	762721703	SPVLZCDPACGTFU-IBGZPJMESA-N	373.928	4.670	50	20	FJGD	
CCOc1c(Cl)cccc1C=NNC(=O)c1c(Cl)cccc1Cl	782222354	WSNXAOZZLIJXQO-UHFFFAOYSA-N	371.651	4.809	50	20	FJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)Cc1ccc(F)cc1	786038062	LSTBJTXRSRRDFR-UHFFFAOYSA-N	364.873	4.672	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC1CCCC1)C(=O)[C@H]1CCCOC1	794884067	NQNBFKXJOPDVFM-KNGSKEOJSA-N	359.853	4.564	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1	800520191	FSSMRKITPUEOQM-UHFFFAOYSA-N	371.531	4.909	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(-c2ccnn2C)c1	801647547	LPLCPMQCUVSYLL-CPNJWEJPSA-N	370.456	4.558	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cnc(C(C)(C)C)nc2)cc1	806566252	YRSOKQAMNWQDGL-PDGQHHTCSA-N	362.477	4.662	50	20	FJGD	
CCc1ccc(C(=O)NN=C2CC(c3ccc(Br)cc3)C2)cc1	814745557	ZKKNMANCQDVPKH-UHFFFAOYSA-N	371.278	4.675	50	20	FJGD	
Cc1nnc(CN(C)Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)o1	852471577	WPAVDSJNJWESSC-UHFFFAOYSA-N	361.562	4.532	50	20	FJGD	
O=C(NN=Cc1c(OC(F)F)ccc2ccccc12)c1ccc(Cl)cc1	916254086	HCKSYZYRPQKJME-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
N#C/C(=C\c1ccccc1OC1CCCC1)C(=O)Nc1ccc(F)cc1	920065592	ZLUHDCOSKVHMPI-DTQAZKPQSA-N	350.393	4.693	50	20	FJGD	
O=C(NN=Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1Cl	1116078170	UFZVDHSQUVCJJR-UHFFFAOYSA-N	360.747	4.642	50	20	FJGD	
Cc1nc([C@H](C)NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	1117338141	KOZVRFPUNCXGBA-ZETCQYMHSA-N	372.319	4.918	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C1(c2ccc(Cl)cc2)CC1	68772987	QYIWCJFSBNVWTD-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cnc3ccccc3c2)c1C	105561394	KJQVRFVOEAPOGS-ODLFYWEKSA-N	358.445	4.609	50	20	FJGD	
Cc1noc(C)c1[C@H](C)CC(=O)NN(Cc1ccccc1)c1ccccc1	125405156	NQGBQOSXMFZLBX-MRXNPFEDSA-N	363.461	4.523	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)c1ccccc1OC(F)F	183404132	BDQNTJVQDZGFGM-FMIVXFBMSA-N	365.282	4.679	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C(CCC)C2CCCCC2)cc1OC	727776701	BQDWXMSYJQRBLF-UHFFFAOYSA-N	360.498	4.950	50	20	FJGD	
Cc1c(NNC(=O)N[C@H](C)c2csc3ccccc23)cccc1[N+](=O)[O-]	730069365	XSBVANQRVHBUAF-GFCCVEGCSA-N	370.434	4.505	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)c1ccc(F)cc1	730588659	HETLPXQTZDFIMP-VBKFSLOCSA-N	373.412	4.992	50	20	FJGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1cccc(Br)c1	741771051	YXNLIWKKPYIGBK-UHFFFAOYSA-N	373.294	4.824	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)Cc2ccsc2)c(C)n1CCC(C)C	744408123	PVIHTMWEMNVXQD-RGVLZGJSSA-N	369.534	4.778	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1cc(F)c(F)c(F)c1	746701758	ZFASRPJNTOTPHW-UHFFFAOYSA-N	370.330	4.689	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1Br)c1ccc(Cl)cc1	748066424	QDIYYFIOLQOQBP-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]1CCO	752982273	MDCASBWMKNDVBG-NSHDSACASA-N	360.348	4.723	50	20	FJGD	
CC(C)c1ccsc1C(=O)NNc1ccc(Br)c(F)c1	771682242	LEYBAXLRGYWMOJ-UHFFFAOYSA-N	357.248	4.530	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c1	773159914	KABFKYQXYREORW-MHWRWJLKSA-N	373.811	4.684	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)c1Cl	774560747	NTPRTUGFOAEPGX-ZROIWOOFSA-N	374.828	4.626	50	20	FJGD	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NNc1c(F)cccc1F	775177904	STQQGPNMZRRUDY-CQSZACIVSA-N	373.325	4.593	50	20	FJGD	
CCC(=O)c1cccc(NC(=O)NNc2c(Cl)cccc2Cl)c1	775679676	BMNHILHJVHWLMB-UHFFFAOYSA-N	352.221	4.735	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccnc(-c2ccccc2)c1	775697002	IBNAECRIDZZVGQ-UHFFFAOYSA-N	374.231	4.599	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2cnn(Cc3ccccc3)c2Cl)sc1C	789142298	KOGSXRHFWTVRDB-OVCLIPMQSA-N	354.866	4.722	50	20	FJGD	
CSc1c(F)cccc1C(=O)NNc1ccnc2cc(Cl)ccc12	798106714	LFTBVLPKFPCJSF-UHFFFAOYSA-N	361.829	4.506	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1Sc1ccccc1C#N	808248923	UEGAADMQMMRHGW-UHFFFAOYSA-N	365.285	4.585	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC	809145576	AIHZXYRJIOTTQO-PXNMLYILSA-N	355.821	4.764	50	20	FJGD	
C[C@@H]1c2nncn2CCN1Cc1cccc(S(F)(F)(F)(F)F)c1	893989002	GHDYTXSTGWVVAR-SNVBAGLBSA-N	354.348	4.512	50	20	FJGD	
Cc1noc(C2CN(Cc3cccc(S(F)(F)(F)(F)F)c3)C2)n1	894819744	PXRUBIAVMXYSNX-UHFFFAOYSA-N	355.332	4.635	50	20	FJGD	
Cc1cccc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)n1	918559284	MXUGVVQUBFKPLZ-AWEZNQCLSA-N	360.788	4.862	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3csc(C(=O)O)c3)n2)cc1	1777343066	ABQHMAPDTKQZAW-AWNIVKPZSA-N	368.439	4.643	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	7211367	DMBHKMGEOSXSBT-FOWTUZBSSA-N	374.352	4.653	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1c[nH]c2cc(F)ccc12	44027084	DVIKUCDTMCIGEH-GHXNOFRVSA-N	356.303	4.698	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc3cc(Br)cc(C)c3o2)cc1	133765064	PIBMSVMWMGMBPE-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(NNc1ccccc1F)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	153101876	PXBXHUNEBPPDTR-ZIAGYGMSSA-N	367.449	4.629	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2ccccc2c2cccnc12	175514151	HRYQWNQELNKCLS-UHFFFAOYSA-N	367.330	4.562	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)c1nc2ccccc2[nH]1	588449933	NOIMUQMAXKQFLF-GHXNOFRVSA-N	361.298	4.707	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)CSc1ccc(C)cc1	730552047	VMPJLVOTBJLGHH-UHFFFAOYSA-N	352.459	4.546	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	732575137	SRMHHLQHOBVWRN-FGZHOGPDSA-N	358.441	4.512	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)OCCc2ccc3ccccc3c2)cc1	733859929	YPHIWBZFYPSUKZ-RCCKNPSSSA-N	357.409	4.541	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(OC(F)F)c(Cl)c3)nc12	741474335	XJCZNITUXMSHCR-WDZFZDKYSA-N	360.751	4.585	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@H]1CCSC1	743084508	NTTUNPOKKRZYSP-KWQFWETISA-N	370.849	4.533	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(\C#N)C(=O)c1ccoc1C	755032668	RQNWHFVSIZZOLC-KPKJPENVSA-N	362.248	4.862	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(\C#N)C(=O)C(C)(C)C)c1	759645478	YHMCUIGJDFAYSW-LFIBNONCSA-N	365.477	4.836	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)cc1Br)C(=O)c1ccsc1	769772909	FIPRTZFVMAVIQC-WZUFQYTHSA-N	352.640	4.954	50	20	FJGD	
CCSCc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	775639916	STOMXBYFRAITIZ-UHFFFAOYSA-N	370.400	4.502	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC3CC3)cc2)c(C)c1	790100886	JJCVSBIEFMCYFG-UDWIEESQSA-N	360.457	4.946	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)/C(=C/c1ccc(F)cc1)c1cccs1	817008750	GCOJSLLIZYSQAD-SDNWHVSQSA-N	373.840	4.620	50	20	FJGD	
COc1cc(NC(=O)CCCC[C@H]2CCSS2)cc(OC)c1C	817143284	XAAHKDHKFCFMFW-AWEZNQCLSA-N	355.525	4.665	50	20	FJGD	
C[C@H]1C(=O)CC[C@H](C(=O)NNc2ccccc2Oc2ccccc2)C1(C)C	846462850	YBJRHUSXWISEEP-DOTOQJQBSA-N	366.461	4.563	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc([C@H]3CCCCO3)o2)c(C)n1CCC(C)C	1326123939	QVMRMBVXQKTXJH-TVNWYLLRSA-N	368.481	4.840	50	20	FJGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(-c2cnco2)cc1	71816946	NHKWEKMXUFYLGP-UHFFFAOYSA-N	367.408	4.524	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1Br	211475061	KSHMYVCJKIUZJC-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1	211693086	XRYBHZCMULQLKY-AUWJEWJLSA-N	372.856	4.861	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(Oc3cnccn3)cc2)c1C	255729471	FEDNEIFHJWPPCI-LDADJPATSA-N	355.397	4.676	50	20	FJGD	
C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCOC1	274016761	MIOPCRFREKDHOV-NXEZZACHSA-N	360.348	4.891	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(Cc3ccccc3Cl)c2)s1	729819535	AGMOQHHBCGEYCR-LZYBPNLTSA-N	367.861	4.745	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3c(F)cccc3F)c(F)c2)cc1	735694497	PJTJVHHZRUBCCN-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
CCc1ccc(-c2nc(CC(=O)NNc3cc(C)ccc3F)cs2)cc1	748785728	REFPXYDKQGHBDM-UHFFFAOYSA-N	369.465	4.506	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OC	749453637	URUTVHPTESELRT-LUYJPIOASA-N	368.408	4.557	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1	763611307	YIONDFXSYNDKPZ-BDAKNGLRSA-N	355.187	4.805	50	20	FJGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1	771591505	BSYVMPOFDJGROU-UHFFFAOYSA-N	357.385	4.539	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1nc2c(s1)CCCC2	776264803	IYYXEPRUBRIDJU-FMIVXFBMSA-N	357.866	4.529	50	20	FJGD	
COCCOc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cc1	788330796	INPYKSPWGUCVNP-ATVHPVEESA-N	363.438	4.716	50	20	FJGD	
CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1)C1CCC(F)(F)CC1	788719612	AYVQTUZTSDXUCJ-UHFFFAOYSA-N	374.435	4.625	50	20	FJGD	
COC[C@H](C)Nc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	798051112	YZJSCYOUGGETRQ-LSDHHAIUSA-N	368.568	4.786	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cn(C(C)C)nc2C)cc1	798344380	DREKLJLSGQJAFW-JQFNYASXSA-N	350.466	4.832	50	20	FJGD	
COc1cc(NNC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1Cl	799005010	JHAHSKALFPZNTP-SNVBAGLBSA-N	372.774	4.614	50	20	FJGD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cccc(CCl)c1	799890763	XSWATFFPXHKUMO-ZROIWOOFSA-N	357.240	4.733	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(Nc3nc(C)cs3)cc2)c(C)c1	810452103	DCPVXXXUSUJWJO-UHFFFAOYSA-N	366.490	4.877	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cn(C2CC2)nn1	875539433	QTLOBHPWDDFXCN-UHFFFAOYSA-N	354.304	4.523	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc2ccccc12	917619507	OVRLENPIBBKGDQ-SDXDJHTJSA-N	371.440	4.969	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2ccccn2)ccc1Cl	151810034	PIMOCXLMLAJLRM-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(OC)cc1	175625617	CWNMCFMLWAJUTD-UHFFFAOYSA-N	354.475	4.574	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(-c2ccsc2)nc1C	181295144	UAVJKPQUUSRDDB-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)C(=O)c1ccc(F)cc1	255714409	YSBVZPHMHJUJQG-ZROIWOOFSA-N	352.365	4.878	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1	588515011	FTZOTXPXWZTTCS-VKAVYKQESA-N	355.397	4.681	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(-c2ccc(F)cc2)s1	728698135	DOFFGISMKKIJMF-LZCJLJQNSA-N	360.841	4.886	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(Cc3ccccc3Cl)c2)s1	729819536	AGMOQHHBCGEYCR-PXNMLYILSA-N	367.861	4.745	50	20	FJGD	
COc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)c(Cl)c1	730955076	AMZAWNMZFRIYBU-UHFFFAOYSA-N	366.848	4.700	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)c2ccc(F)cc2O1	742091960	KJNVOXHESTVMJZ-OCCSQVGLSA-N	355.500	4.654	50	20	FJGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1cccc(C(F)(F)F)c1	743300025	XKQBZDDUAUXNNG-LBPRGKRZSA-N	354.347	4.557	50	20	FJGD	
O=C(CCOc1ccccc1)NN=Cc1ccc(-c2ccccc2Cl)o1	747059758	XGSSQYMHEXSWGK-UHFFFAOYSA-N	368.820	4.519	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2ccccc2s1	754154409	YMXIXDYCGISJSY-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)c1nc(-c3ccccc3)cs1)OCO2	758823294	YVMRTRZFKROAFW-CHHVJCJISA-N	362.410	4.612	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(-c3cccs3)n2)cc1	760138117	BGGGPPBKNUTIJD-DHDCSXOGSA-N	366.467	4.830	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	767854589	HFTQMCWFBDDCBD-UHFFFAOYSA-N	365.414	4.503	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc(F)c(Cl)c1	773144392	KWDMMGUUPFBQAV-WZUFQYTHSA-N	365.147	4.831	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)c1ccc(Cl)cc1F	773148933	FTFBWMHHNZADSQ-WQLSENKSSA-N	354.743	4.956	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2ccc(F)cc2s1	777478314	WDDCCOXZSXWYBM-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
Cc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl	779713828	SJNAHEYKRLBRRX-OQLLNIDSSA-N	352.242	4.640	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)c1ccc(F)c(C(F)(F)F)c1	782352051	PSWBSQJAZCOXSJ-WDZFZDKYSA-N	366.339	4.968	50	20	FJGD	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	786888843	KLBUCBLZFVZFOY-ATTDUZETSA-N	374.362	4.538	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	787167104	DJVSBXWVLSMMEG-IDMWQADZSA-N	357.369	4.812	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(C)c1)c1ccccc1	787180876	YIMLFXMXPOWCMM-FNGUVFISSA-N	370.456	4.560	50	20	FJGD	
CCC(CC)n1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1C	791733410	LGECXRVJTOKUJB-UHFFFAOYSA-N	355.269	4.616	50	20	FJGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	792775663	LVBKQTKVXMKFAO-MWLCHTKSSA-N	365.688	4.685	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1	817565039	IZQDOYZQKVXANH-CABCVRRESA-N	350.300	4.550	50	20	FJGD	
O=C(NCC(Cl)Cl)c1ccc(COc2ccc3ccccc3c2)o1	819794555	MLRBPZZEYMLHIS-UHFFFAOYSA-N	364.228	4.545	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cccnc2)c(C)n1C1CCCCC1	912691446	KXWOVEJFROPHDO-UDWIEESQSA-N	363.461	4.656	50	20	FJGD	
O=C(COC(c1ccccc1)c1ccccc1)NNc1ccccc1Cl	916556005	XNSSIDBLGHWZMZ-UHFFFAOYSA-N	366.848	4.589	50	20	FJGD	
Cc1ccccc1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	33471309	ABEUWSQGRPHYTB-ZSOIEALJSA-N	352.242	4.640	50	20	FJGD	
O=C(NNc1cnc2ccccc2n1)c1ccccc1Sc1ccccc1	163599836	IIKFUBCETVPJDD-UHFFFAOYSA-N	372.453	4.538	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CCCCC1	727264652	XRGFUMLYBZFCFE-XYOKQWHBSA-N	356.775	4.715	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1nc2cc(F)ccc2s1	730151805	YFMKKOBYJFTURL-IJXAQXDUSA-N	351.362	4.964	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3csc(COc4ccccc4)n3)[nH]c12	735619411	MQSIQCPGLNIBLE-XNTDXEJSSA-N	372.453	4.971	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(SC)cc1OC	741165939	UBJNSGSWCGSGRO-VGOFMYFVSA-N	373.861	4.869	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	741474640	XTFQRUVJOVIOSG-VZUCSPMQSA-N	359.216	4.646	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccccc2COc2ccccc2)c(C)c1	743764114	BKCVQSBLPSNEQC-UHFFFAOYSA-N	360.457	4.948	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1cccc2cccnc12	747356112	MZSBFMGNWIQMRZ-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(F)cc1F	748691426	QFKOEBUFXQQZKB-UHFFFAOYSA-N	365.594	4.990	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1SCCc2ccccc21	749483456	VTKFRJHPSMALEX-NVXWUHKLSA-N	367.605	4.847	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3nccc4sccc34)c2c1	751390372	FBCXKBRUINTSPL-UHFFFAOYSA-N	374.469	4.787	50	20	FJGD	
CC(CCCC(C)C)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	764668653	ZXSBBDANTRGUOH-UHFFFAOYSA-N	365.692	4.556	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	767842844	FEDDTECCDHSPOS-CJKMCJCZSA-N	373.859	4.640	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773149129	KVCBZHVHIMXSTQ-VZUCSPMQSA-N	369.701	4.993	50	20	FJGD	
CC(=C\c1ccccc1C(F)(F)F)/C=C(\C#N)C(=O)Nc1nccs1	799888937	KATPDBBWVNBBHR-BLTLMDCKSA-N	363.364	4.654	50	20	FJGD	
C[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(C2CCCCC2)no1	808747087	ZRUOBEDUEKNOGU-CQSZACIVSA-N	353.583	4.790	50	20	FJGD	
Cc1ccccc1NNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1	812457953	SGCMSZJSFFEIRJ-GFCCVEGCSA-N	365.246	4.534	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H](c1ccccc1)c1ncc[nH]1	820921610	MWBYGTIZVMKQDH-LJQANCHMSA-N	362.477	4.507	50	20	FJGD	
CC(=O)NCC1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC1	891789563	OPDQAWNSTQVNKI-UHFFFAOYSA-N	372.403	4.692	50	20	FJGD	
CC(CCc1cccc(C)c1)=NNC(=O)c1ccc(Br)s1	920367155	HPCDZMXLZARYTO-UHFFFAOYSA-N	365.296	4.558	50	20	FJGD	
ClCCCOc1ccc(CN2CCC(Nc3ccccc3)CC2)cc1	1327576062	VURWNXHXXJWRQJ-UHFFFAOYSA-N	358.913	4.771	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cc3ccccc3o2)n1	11294482	IBLVMKOGGPOUOC-UKTHLTGXSA-N	351.431	4.732	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc(OC)c1O	57770331	PNKBADVREZGONK-YVLHZVERSA-N	359.381	4.665	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)s1	105605063	ZNQRSLMOJBCHDP-YVLHZVERSA-N	350.443	4.906	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(OC(F)F)c1	114630999	KLOWYUYOABBBAI-JYRVWZFOSA-N	368.339	4.568	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NN(C)c1ccccc1	139865297	DDNVHRFOROOYLP-OAHLLOKOSA-N	366.490	4.530	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1ccc(C(C)(C)C)nn1	156639257	BDXLORGPRVVRNV-UHFFFAOYSA-N	370.522	4.589	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)cc1	184888367	QMFJIVKBRKDFFA-STZFKDTASA-N	354.409	4.759	50	20	FJGD	
CCOC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	211280837	LQUOMGBJNPQXQJ-LCYFTJDESA-N	372.764	4.511	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)CC(C)C)o2)cc1	726119807	DOFARRPNJAGITE-ATVHPVEESA-N	351.402	4.645	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(Cl)c(Cl)c1	727840608	VETHNGMDNKYATB-UHFFFAOYSA-N	350.127	4.559	50	20	FJGD	
C[C@@H](c1nc2ccccc2s1)N1CCN(/C(=C/C#N)c2ccccc2)CC1	750791199	MZMMZBRPJIIYFZ-PBGVMVHZSA-N	374.513	4.540	50	20	FJGD	
Cc1cccc2c(CC(=O)NNc3c(Cl)cc(F)cc3Cl)c[nH]c12	767404910	JQHWOQWNTPEXIE-UHFFFAOYSA-N	366.223	4.608	50	20	FJGD	
CC(=O)c1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cc1C	775689574	ZVNZYAPVBCEVII-UHFFFAOYSA-N	352.221	4.653	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1Cc2ccc(F)cc21	796559132	ZMZVDPDNDITTGO-GOSISDBHSA-N	354.450	4.802	50	20	FJGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1	797785448	FGPQHBXQBQTUEK-UHFFFAOYSA-N	369.896	4.500	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)NNc2c(C)cccc2C(C)C)C2CC2)s1	813084247	LHGHVOXRZDYKPF-KRWDZBQOSA-N	358.511	4.661	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2c(F)ccc(SCC3CC3)c2F)c1	826910190	ZZUOCSMKJCQLSY-UHFFFAOYSA-N	366.408	4.671	50	20	FJGD	
N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C2	853317198	QWCRUWLGSMLNNH-OASPWFOLSA-N	371.375	4.688	50	20	FJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1(CO)CCC1	887979877	SRMPLVHXQCVSBP-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
CCN(C(=O)CCCC[C@H]1CCSS1)c1ccc(OC)c(OC)c1	914758862	RMADDFNQFNKXBN-HNNXBMFYSA-N	369.552	4.771	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(C)C	915843805	DXJYGIOOQJYICM-PDGQHHTCSA-N	364.445	4.666	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1	915991705	IYXBYNFXZGVCNB-JOHMGYAOSA-N	365.273	4.691	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1	915992201	UVQCMIKWUIKVEE-BOPFTXTBSA-N	361.470	4.792	50	20	FJGD	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl	916360551	XXNSWSVCVLKNEG-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)Nc1ccccc1	20620134	IKVAIPMNRXQKLC-DTQAZKPQSA-N	370.437	4.608	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cccc(C#N)c1	152490000	GRAUFGBWDDDLGI-UHFFFAOYSA-N	373.412	4.506	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(Oc2ccccc2)o1	178105834	HZJSGIIXODAEJB-UHFFFAOYSA-N	373.206	4.591	50	20	FJGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cc(-c2ccccc2)ccc1Cl	732289856	XYALBGLOZOPMDX-UHFFFAOYSA-N	373.843	4.734	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@@H]1C[C@H]1c1cccc2ccccc12	734250057	NZXUNFKRQPEQGP-ZWKOTPCHSA-N	359.454	4.696	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccccc1Oc1ccccc1	740099722	AFTOARGRLZXUDT-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)c1C	741471533	OCDUTMBSRRBNRK-MHWRWJLKSA-N	356.853	4.967	50	20	FJGD	
Cc1cccc2c(CCC(=O)NNc3cccc(C(F)(F)F)c3)c[nH]c12	743300594	VBIZWIPDUYIOLI-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1csc(-c2ccc(Cl)cc2)n1	746034309	ULCPCXYCTMHKFT-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F	748644514	MJZXNSDJGUFJLK-SNVBAGLBSA-N	374.309	4.554	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1SCc1ccco1	755237009	ULBJZMAQNXAOHF-UHFFFAOYSA-N	360.385	4.607	50	20	FJGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2Cl)cnn1CCC(C)C	756889617	YDEAYRCUULAYMY-UHFFFAOYSA-N	369.296	4.555	50	20	FJGD	
N#C/C=C/CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1	763303579	ZGIOHKXBTYOJPE-VOTSOKGWSA-N	366.877	4.819	50	20	FJGD	
Cc1c(C(=O)NNc2c(Cl)cccc2Cl)oc2c(F)cccc12	763613487	YFPIQJALUSPNSY-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	774317243	OHCDFAWZFUNPHO-UHFFFAOYSA-N	365.399	4.932	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)C1(c2cccs2)CCCCC1	777463920	XJRNVBPUGSJROS-UHFFFAOYSA-N	351.475	4.642	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)CCCC[C@@H]1CCSS1	777481920	YCDDCEZGOHVQJO-OAHLLOKOSA-N	361.536	4.700	50	20	FJGD	
N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)C(=O)C1CCCC1	781555745	OVFGLMJKBCFGPQ-HKWRFOASSA-N	359.473	4.891	50	20	FJGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)c1nc(-c2ccncc2)cs1	794934746	MVXSUDQSFBCVJR-PTNGSMBKSA-N	373.416	4.594	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccccc1NC1CCCCC1	795191439	FDPUVNSALSFLOH-UHFFFAOYSA-N	360.461	4.736	50	20	FJGD	
CCSc1cccc(F)c1NC(=O)NNc1ccc(F)c(F)c1F	810328657	XCEHHLCJVZJYDX-UHFFFAOYSA-N	359.348	4.504	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)c1ccc([N+](=O)[O-])cn1	812245533	TYJPZYAFMFTBBY-XFXZXTDPSA-N	351.362	4.922	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	916349029	IUYYHSZQDWNALZ-NCOADZHNSA-N	365.502	4.660	50	20	FJGD	
Cc1nn(CCCl)c(C)c1-c1nnc(-c2cccc3ccccc23)o1	1325792165	DFTSIDGGNSVFRP-UHFFFAOYSA-N	352.825	4.609	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C(=O)O)c2)cc1	1776697742	PRYVZGYQPFZLCB-YDRQLGOLSA-N	366.392	4.583	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	5921417	CWLOIOWFKJXNTC-GXDHUFHOSA-N	352.340	4.868	50	20	FJGD	
O=C(NNc1ccnc2ccccc12)c1sc2ccccc2c1Cl	106924875	OTLBASPFEMFTDO-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C2CC2)s1	181609697	PYBKISUGIPEIFY-INIZCTEOSA-N	358.511	4.526	50	20	FJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1ccc(F)cc1	301238047	FRDMKLIFERHFPF-UNXLUWIOSA-N	358.722	4.654	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1Cc1ccccc1	588514974	CJCSOCBMFYPIHZ-HKWRFOASSA-N	354.409	4.529	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cc(-c2ccccc2)on1	726776545	SWZCKDXRHPJKOI-INIZCTEOSA-N	362.520	4.672	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1	733362041	MAEZWQMOFSOBRY-NTMALXAHSA-N	356.294	4.530	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	741473396	HSRMEJIFOZCBLJ-LFGHMXSPSA-N	368.389	4.776	50	20	FJGD	
C[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1cccc(Cl)c1	743298585	ZHPSDOJZYBQOJD-NSHDSACASA-N	360.244	4.788	50	20	FJGD	
COCCN(C(=O)CCCC[C@H]1CCSS1)[C@H](C)c1ccccc1	745941242	JGOYUCJGYLJXGH-AEFFLSMTSA-N	367.580	4.937	50	20	FJGD	
C[C@@H](C(=O)NNc1ccccc1Br)c1ccc2ccccc2c1	748066013	LSQLNONBQCJRAM-CYBMUJFWSA-N	369.262	4.849	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Oc2ccccc2Cl)nc1	748548697	GEJAYFLSWKMACD-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(Cl)c(Cl)c1	748750557	ITVLFRZRPHPCIS-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc2c(c1)-c1ccccc1C2	748754787	ZDIBGKKEWOQMPH-UHFFFAOYSA-N	351.409	4.563	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc3cc(C)c(C)cc3o2)n1	749806314	AVSHRFISQQXRDU-ZSOIEALJSA-N	352.415	4.747	50	20	FJGD	
CC(C)[C@H](CCO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753929857	RGOMKQOGBBPYDF-LBPRGKRZSA-N	362.364	4.873	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Br)c(Cl)c1	754827686	MYAZLUJVOIFIOE-IZZDOVSWSA-N	350.599	4.794	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(Br)c(Cl)c2)ncn1	773175416	DRCLBBDNJWNMNB-WMZJFQQLSA-N	366.671	4.679	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)CCCCCl)c2)C1	788058845	BGMOZZAMYWWKKU-CRAIPNDOSA-N	373.946	4.543	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)ccc1[N+](=O)[O-]	788326069	BUUMXYSBTFDBNQ-RIYZIHGNSA-N	364.382	4.608	50	20	FJGD	
C=C(CBr)CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F	791541628	URJPIEFHJXPLRM-NSHDSACASA-N	360.576	4.623	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(F)c(F)cc1Cl	791723232	SGAABEHIWFAUTQ-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
N#Cc1ccc(S(=O)(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	808109274	ORNBLQROFBXNHS-UHFFFAOYSA-N	374.312	4.609	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)c1cccc(Cl)c1	811628375	VQRAUWPWLNMYRX-QCDXTXTGSA-N	351.711	4.854	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1	812244334	AKPNMHOVLGGNLW-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1cc(Cl)cc(Cl)c1	813535957	HSKWMHYLSXIVNJ-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc(Cc2cccc(F)c2)o1	821078129	JBTPSHXKJPJYHD-UHFFFAOYSA-N	368.550	4.913	50	20	FJGD	
COc1c(F)cc(NCc2ccc(OCCCCl)cc2)c(OC)c1F	824947746	LMESQKYFCWJUJJ-UHFFFAOYSA-N	371.811	4.602	50	20	FJGD	
C[C@H](Cc1cnccn1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	834743647	FRARJDLAFICIJJ-YGRLFVJLSA-N	361.820	4.739	50	20	FJGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1	838343802	ZRVDEQIXXCFCJG-BDAKNGLRSA-N	355.187	4.805	50	20	FJGD	
CN(C)Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)c(F)c1	839822047	CNXBLGPPJXDQKE-AWEZNQCLSA-N	356.532	4.540	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	840720984	UWVWKTLACGNXMU-VGOFMYFVSA-N	359.351	4.583	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CCC(=C3CCC3)CC2)cc1OC	853275922	QQYTZYGRXSZAOW-UHFFFAOYSA-N	356.466	4.624	50	20	FJGD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	860935346	PDHIDAHJZXODOE-JGZJWPJOSA-N	360.348	4.579	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	8056370	QSCWVTRJBLYINU-WYMLVPIESA-N	362.360	4.640	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1C	10405378	OTTUQOSGKKXYHF-FBJMNJBLSA-N	371.868	4.511	50	20	FJGD	
C#CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	63454597	XHRVPHOWSSZHSZ-UNOMPAQXSA-N	367.433	4.758	50	20	FJGD	
Cc1cn(-c2ccccc2)nc1NC(=O)CCCC[C@@H]1CCSS1	106852608	IKXTZDOEBSMKKX-MRXNPFEDSA-N	361.536	4.833	50	20	FJGD	
CCN(CC)C(=O)CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186090214	XSKZJIHLZZFJCX-UHFFFAOYSA-N	374.375	4.931	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(/C#N)c3cnc4ccccc4n3)c(Cl)nc21	588580286	DWYQMRFBXJGVOM-AUWJEWJLSA-N	374.835	4.673	50	20	FJGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	727776610	CINJCNUEBYCFBL-OAHLLOKOSA-N	358.445	4.615	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2cccnc2)c(C)n1CCC(C)C	733415327	RMVZVPYRAWYEKP-UMUMUWHJSA-N	365.477	4.757	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@H]1C[C@H]1c1cccc2ccccc12	734250056	NZXUNFKRQPEQGP-ROUUACIJSA-N	359.454	4.696	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OC)c1	741471380	ZPFFHUWVMYPTIK-ZBQKXELDSA-N	355.356	4.549	50	20	FJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)NNc2ccc(Cl)nc2)cc1	745801369	CJQRPMPTBNFGMI-LBPRGKRZSA-N	364.902	4.623	50	20	FJGD	
Cc1ncc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)s1	748625200	MTVIMWDKMRSAIH-GFCCVEGCSA-N	366.817	4.923	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)c1nc(-c3ccccc3)cs1)OCO2	758823311	YVMRTRZFKROAFW-VIZOYTHASA-N	362.410	4.612	50	20	FJGD	
CC(C)(C)n1cc(/C=C(/C#N)c2ccncn2)c(-c2ccccc2Cl)n1	758910992	HMKGPRKHHCGUTK-UVTDQMKNSA-N	363.852	4.813	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(Cl)nc1Cl)c1ccccc1	761485157	FBHWRKOBZXQAQV-LTBFUDJGSA-N	360.244	4.563	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccc2oc(C(F)(F)F)nc2c1	769993596	NGRROYYYTUOAPD-UHFFFAOYSA-N	370.718	4.649	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(Cl)cc1F	783509862	RNQQYKUTIMETRU-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
Cc1cccnc1NNC(=O)c1ccccc1SCc1cccs1	791224393	SSIWICAJOUEQQK-UHFFFAOYSA-N	355.488	4.501	50	20	FJGD	
Cc1ncc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(Cl)c1Cl	791713127	CMORTQRSZITQKV-UHFFFAOYSA-N	365.047	4.761	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1	810207443	IWROKXCJVLMNRG-LICLKQGHSA-N	353.381	4.921	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	843117367	JYQRZYWDJVXRSI-CPNJWEJPSA-N	362.477	4.859	50	20	FJGD	
O=C(NN=Cc1cc(Br)ccc1Cl)c1ccccc1Cl	1319421129	FFYMJUIRIABRQZ-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1cccc(-c2nnc(/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)o2)n1	1326551995	IAVWWSXIWBHMHB-VCHYOVAHSA-N	361.449	4.579	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)O)c2F)cc1	1776697492	FYJJBFSFYYOYLI-XDUBLRSXSA-N	366.392	4.583	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3c(C)nn(C)c3Cl)n2)cc1	63278961	TZPSTTQIAKUMEV-JYRVWZFOSA-N	370.865	4.578	50	20	FJGD	
C[C@@H](OCC1CC1)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	68377953	RSNGDRDBEHCLTB-OTYXRUKQSA-N	367.820	4.660	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(F)c(Cl)cc1F	122160555	UWJACOLBEJGVMM-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
CN1CCC[C@@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184429151	YNEHGFIMNFZXAB-NSHDSACASA-N	373.391	4.807	50	20	FJGD	
O=S(=O)(Oc1cccnc1)c1ccc(S(F)(F)(F)(F)F)cc1	186341941	XZTNTOPWUMUOQK-UHFFFAOYSA-N	361.313	4.507	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1C	588597649	YVWUSIGZHPQLTD-ZROIWOOFSA-N	360.335	4.568	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc4c(c3)CC(C)(C)O4)n2)cc1	729148545	BUVBUUBJXRWLLH-WOJGMQOQSA-N	357.413	4.823	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Br)ccc2F)s1	729820634	ULWOPUGDCFNDOR-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1ccccc1C(F)(F)F	739473990	ZBQBYWLPLHQUKR-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)c1cccc2ccccc12	741465695	SNBLJPKCLQRYEB-UHFFFAOYSA-N	363.467	4.789	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)c(OC(F)F)cc1C	742345869	DKDUCBRLQDYSMD-GDNBJRDFSA-N	353.372	4.856	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1	748669125	CDSGHVUEBKVTAN-CYBMUJFWSA-N	372.465	4.930	50	20	FJGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1	758017581	POTYDMZIFQMGNV-IFEJVMTJSA-N	365.788	4.513	50	20	FJGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	760212017	RZGUPMBCOUQRBT-OQLLNIDSSA-N	372.815	4.797	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(C)nc3)n2)cc1	764888706	SQPQSCNEZMGXFS-ZDLGFXPLSA-N	374.469	4.622	50	20	FJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2ccc(F)cc2F)C1	767083703	DJGHVZUWDUUNGH-HOCLYGCPSA-N	354.441	4.564	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cn(CCCC#N)c3ccccc23)c(C)c1	768093979	WGJADAWHTMYPTG-UHFFFAOYSA-N	360.461	4.627	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1OC(F)(F)F)C(=O)c1cccc(F)c1	789147910	LRNGASGTEXYDSD-DHZHZOJOSA-N	353.246	4.653	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccsc1Cl	790101716	RRESMLDUUQTYEY-WDZFZDKYSA-N	367.257	4.918	50	20	FJGD	
CSSCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1	791113927	QXPQOEXQLHOEBX-UHFFFAOYSA-N	366.558	4.766	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794883489	BLTANPVTLXCOHQ-XMHGGMMESA-N	364.408	4.519	50	20	FJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	794933956	OAMIWCHJOJEEFQ-OQLLNIDSSA-N	353.777	4.616	50	20	FJGD	
COc1cc(NNC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1Cl	799005008	JHAHSKALFPZNTP-JTQLQIEISA-N	372.774	4.614	50	20	FJGD	
CSSCCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C	807226759	UAMIQPJFAUWRGO-UHFFFAOYSA-N	366.474	4.637	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1	809147414	NXCBPSJDLLILMO-ONNFQVAWSA-N	371.072	4.734	50	20	FJGD	
Cc1ccc([C@@H](C)NCc2ccc(OCCCCl)cc2)cc1[N+](=O)[O-]	811482747	QOUOCHRELITHAU-OAHLLOKOSA-N	362.857	4.762	50	20	FJGD	
N#C/C(=C/c1cc(Br)cs1)c1cc(C(F)(F)F)ccn1	812246045	BTFMVEXNKOIRGS-BAQGIRSFSA-N	359.170	4.989	50	20	FJGD	
CC(=O)N[C@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)C	839320671	AMQXJSQGGULBSP-GFCCVEGCSA-N	374.375	4.833	50	20	FJGD	
CC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)C(C)(C)F)c2C)c1	840735697	RRMDCMQHWQHXJD-VCHYOVAHSA-N	352.409	4.521	50	20	FJGD	
CC(CCCCC#N)=NNC(=O)CCCOc1ccc(Cl)cc1Cl	841605609	YFCGHWPOHNGEME-UHFFFAOYSA-N	370.280	4.728	50	20	FJGD	
COc1ccc2cc(C=NNC(=O)c3ccc(Cl)cc3Cl)ccc2c1	916359120	KJLNTZTUAUVCCU-UHFFFAOYSA-N	373.239	4.919	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2Cl)c(C)n1CC1CC1	1117808570	QQYJOIWOYONURW-UHFFFAOYSA-N	352.265	4.579	50	20	FJGD	
O=[N+]([O-])c1cccc(-c2nnc(CCCC[C@H]3CCSS3)o2)c1	1326067858	IINZUGALCCRSCM-ZDUSSCGKSA-N	351.453	4.511	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(/C=C\c2cnc(C(=O)O)cn2)c1	1776270298	ITAUVGWYJBKFHK-KTKRTIGZSA-N	356.498	4.729	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C3SCCCS3)cc2)c1	127472805	KAZMFNNHCNUSIE-UHFFFAOYSA-N	358.532	4.929	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	158301156	QANXMICQIIMPDM-XSFVSMFZSA-N	353.425	4.911	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)Nc1ccccc1C	186854368	MWPWYETXDLTSFG-XSFVSMFZSA-N	369.424	4.611	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2cnc3ccccc3n2)cc(C)c1OC(F)F	191362143	XIVCRCIPFUKQRD-OQLLNIDSSA-N	351.356	4.912	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CSC)cc2)c1C	303226148	WSVSPMGVJOIFIW-UNOMPAQXSA-N	367.518	4.924	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	588424836	MTXYWFDARAMAHU-POHAHGRESA-N	369.776	4.801	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1cccc(Cl)c1	729275202	BHPIGULUISTUDO-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1OC	732715090	KAHXHUMBIMWHQX-NBVRZTHBSA-N	370.493	4.572	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2C)c1C	744811525	YMJJNPDLGNZOPD-LDADJPATSA-N	353.441	4.898	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)s1	750247730	SQOSTUCWFRMJRM-MRVPVSSYSA-N	373.787	4.539	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2cc(Cl)ccc2Cl)c2ccccc2n1	753692704	KDOGJTVAYOHFKZ-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
CC(CC1CC1)=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	756824797	YVQJTPUWZGIRPJ-UHFFFAOYSA-N	356.853	4.825	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c2ccccn12	762601858	CIGGPEHSLAYSOS-FOWTUZBSSA-N	355.401	4.572	50	20	FJGD	
CC(C)Oc1ccccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768008187	WFVDQGSTNXYLRQ-UHFFFAOYSA-N	357.212	4.677	50	20	FJGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)c1c(Cl)cccc1Cl	768484884	LNXOWHDRFGGWOT-UHFFFAOYSA-N	370.239	4.819	50	20	FJGD	
C[C@@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCC1	773437576	IMJOUVINGIWPOI-SECBINFHSA-N	372.359	4.587	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)c1c[nH]c2cc(Cl)ccc12	782331152	UFOBNCMFLWBCCT-VZUCSPMQSA-N	353.834	4.945	50	20	FJGD	
Cc1sc(CC(=O)NNc2cc(Cl)cc(Cl)c2)nc1C(C)C	790064330	WDWVQCHEMIVJFW-UHFFFAOYSA-N	358.294	4.568	50	20	FJGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cn1	790100592	OVNWRNSEXBVVFH-MKMNVTDBSA-N	360.244	4.634	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)c1ccc2ncccc2c1	794882900	IIKBTQDCGOWPRK-JXAWBTAJSA-N	357.413	4.608	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc1OC	810250777	KWRHVAMEQOYNAC-WZUFQYTHSA-N	368.742	4.835	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	812768022	AWISCNYYAPEOGR-UHFFFAOYSA-N	354.498	4.704	50	20	FJGD	
CCCN(N=C(C)Cc1ccc(OC)c(OC)c1C)C(=O)OC(C)(C)C	814927227	CJGQGMYERNYEQK-UHFFFAOYSA-N	364.486	4.578	50	20	FJGD	
C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1(CO)CC1	822618909	QEEWWGYTFHRGQT-SECBINFHSA-N	360.348	4.627	50	20	FJGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)c1ccc2ccccc2c1	834941620	IODGZIFTEZHWPM-UHFFFAOYSA-N	350.462	4.827	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	869066898	QJIIEWVGAOVDLE-UYRXBGFRSA-N	365.477	4.705	50	20	FJGD	
COc1ccc(Br)c(/C=C(/C#N)C(=O)c2ccccc2C)c1	1253411687	MVHQXMUDCRLKEC-ZROIWOOFSA-N	356.219	4.556	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc2c(c1)oc1ccccc12	1324798275	JNZVVTWRZWDYBG-UHFFFAOYSA-N	359.410	4.953	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(C)c(Cl)c2)cnn1C1CCCC1	1337701406	ZPBDREHGOOXMHM-UHFFFAOYSA-N	360.889	4.669	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1	5719396	NLXOBLFIRHIUAW-RVDMUPIBSA-N	355.235	4.557	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	124740320	MHXCHKXCFWQTBP-QGZVFWFLSA-N	366.383	4.511	50	20	FJGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)c1ccccc1[N+](=O)[O-]	225721952	YENFICGRYAKZDX-OLZOCXBDSA-N	355.481	4.913	50	20	FJGD	
CC[C@H](C)N(CCO)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	287111637	LKBNQEHEDWOOAY-JTQLQIEISA-N	362.364	4.969	50	20	FJGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1cccc2ccccc12	327288091	LUHKMYHUBMKKOA-HNNXBMFYSA-N	373.905	4.661	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(SC(F)F)c2)cc1	727413174	WOKXHUFMUJVLAR-UVTDQMKNSA-N	374.412	4.946	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2cccs2)c1C	735018723	URWWDYIDFHDZMQ-ATVHPVEESA-N	355.507	4.535	50	20	FJGD	
C[C@@H](CC(=O)NNc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1	735695895	KAOWMOSHAKOQOE-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
CSCC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	736056652	KHKMKVOPWRGVKZ-JPVKTXQWSA-N	373.566	4.775	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)Cc2ccc(Cl)cc2)cc1	745844148	OESQNXQLINZLHC-AQTBWJFISA-N	368.864	4.694	50	20	FJGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	747743880	IHKADXDRDXQEPA-KRWDZBQOSA-N	372.472	4.839	50	20	FJGD	
O=C(NNc1ccccc1F)[C@@H](Sc1ccccc1F)c1ccccc1	748059658	YOCOBDNCCGHIFZ-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	749888347	PBDVDVZNPRSSIC-LBPRGKRZSA-N	352.356	4.640	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(Br)cc2Cl)ncn1	773150903	OQMSHEMWAHHRSE-WMZJFQQLSA-N	366.671	4.679	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	794872979	ARWCAOYARBZREU-QGOAFFKASA-N	370.456	4.847	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)c(Cl)c1	797091030	ATZCQSGSOYDMSE-WUXMJOGZSA-N	371.849	4.740	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(Cl)c(F)cc1Cl	816163071	AZTQOVHVAABLPO-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
N#C/C(=C\c1ccccc1Br)C(=O)c1c[nH]c2cc(F)ccc12	915990612	PVEAMLNUBCJNSG-KPKJPENVSA-N	369.193	4.859	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC1CCC(OC)CC1	121393575	PQUJZWGFZPDMBJ-UHFFFAOYSA-N	360.523	4.918	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)ccc1OC	141796528	XAXOLUOTIOZLLX-YBEGLDIGSA-N	360.413	4.674	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1	186167713	KFNVGKGRBXKGRW-UHFFFAOYSA-N	351.362	4.519	50	20	FJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	255142084	HTNNHWBFVFNQSQ-POHAHGRESA-N	352.608	4.587	50	20	FJGD	
CCN1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	277542385	ZJZVDRFJUBVXTB-UHFFFAOYSA-N	373.391	4.904	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C1(c2ccc(F)cc2)CCCC1	301218175	LWVWHNUAPYBQJJ-UHFFFAOYSA-N	366.358	4.800	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1	728782829	WAIOIHOOFHRUHA-LLVKDONJSA-N	365.658	4.622	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)C(=O)c1ccc(F)cc1	731489356	DPMWPOSQWCBISQ-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)ccc1OC	741474706	YIMIGEGEUBHONJ-WJDWOHSUSA-N	362.433	4.518	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)[C@@H](c2ccccc2)CO1	742970970	IXMHFDASZMWRIA-KBAYOESNSA-N	365.564	4.689	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1C	743776864	IYYAAMUENQJVJW-KOWBDXASSA-N	374.488	4.561	50	20	FJGD	
CN(CCN1CCCC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752991514	XLYMPHGUXOLGCC-UHFFFAOYSA-N	373.391	4.904	50	20	FJGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1c(Cl)cccc1Cl	763610341	BZZOPAZZBRYWMP-NSHDSACASA-N	353.249	4.639	50	20	FJGD	
CSCc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	769998783	UFFUILMVLFUWMQ-UHFFFAOYSA-N	371.384	4.597	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781547673	QQRIQYBKRZNHEM-KAMYIIQDSA-N	374.412	4.946	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)c1c[nH]c2cc(Cl)ccc12	782331157	UFOBNCMFLWBCCT-WZUFQYTHSA-N	353.834	4.945	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)c1ccc([N+](=O)[O-])cc1	799889954	VRIKNSWSAVTUOB-YFHOEESVSA-N	365.133	4.700	50	20	FJGD	
O=C(Nc1cc(C2CC2)ccn1)NN(Cc1ccccc1)c1ccccc1	810323777	VBLMEAHKOBAFIY-UHFFFAOYSA-N	358.445	4.702	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC2(CCC2)[C@H]1C1CCOCC1	819755574	AXAUNXNYKCHYKP-FUHWJXTLSA-N	369.596	4.508	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cc2c(s1)CCCCCC2	857514790	XYOFPIBEYGGNGE-UHFFFAOYSA-N	369.412	4.578	50	20	FJGD	
O=C(NN=Cc1ccc(SC(F)(F)F)cc1)c1ccccc1Cl	1115818928	PUTXOBJHDORSGI-UHFFFAOYSA-N	358.772	4.716	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ncc(C2CCOCC2)s1	1117774243	MKNNHIBECZWHGM-CYBMUJFWSA-N	372.581	4.690	50	20	FJGD	
CCOC(=O)/C(C#N)=C/N[C@H](c1ccc(C(C)C)cc1)c1cccs1	28807101	RABGRZIBAQADLN-XEYRCQSKSA-N	354.475	4.521	50	20	FJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	53103254	KDMISUSANJQUAV-RUDMXATFSA-N	368.201	4.509	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)c1cc(Cl)cc(Cl)c1	123496586	ALXXUOKCSWVXRF-VIZOYTHASA-N	372.255	4.778	50	20	FJGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccc(Cl)c(F)c2)c1	127846786	MQWLGVIHJWADGJ-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2)oc2c1ccc1ccccc12	134199631	OIEPVCOXQMRINL-UHFFFAOYSA-N	361.357	4.560	50	20	FJGD	
Cc1cc(CSc2ccccc2C(=O)NNc2ccc(Cl)cc2)on1	152999170	MQDFCLCPVZQUBP-UHFFFAOYSA-N	373.865	4.686	50	20	FJGD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C#N)C(=O)CC(C)C)cs1	171019658	KTBQLUHIFYRUFU-MHWRWJLKSA-N	367.474	4.658	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1)C1CCCCC1	171982338	IAUBDEIKBOFZJD-FOWTUZBSSA-N	351.475	4.508	50	20	FJGD	
O=S(=O)(N[C@@H]1C=CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	181719332	VFCQWAZLXBAXJG-SNVBAGLBSA-N	363.373	4.731	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1S[C@@H](C)CC#N	184323397	XBSWWQAZOLVDJP-ZDUSSCGKSA-N	358.442	4.677	50	20	FJGD	
O=C(CCc1ccncn1)Nc1cccc(S(F)(F)(F)(F)F)c1	192389938	PONCAMKHZIWPCB-UHFFFAOYSA-N	353.316	4.705	50	20	FJGD	
CN1/C(=C/C=C(\C#N)C(=O)Nc2ccc(F)cc2)C(C)(C)c2ccccc21	211406031	AFRZTRWDCZVOMX-UQYULYOOSA-N	361.420	4.526	50	20	FJGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cc(-c2ccccc2)cs1	729637436	AZCHOPVUOPVMGQ-UHFFFAOYSA-N	359.454	4.520	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CCC(C)C)s2)cc1	730557852	SBJUHACQTLUWEP-UHFFFAOYSA-N	359.495	4.548	50	20	FJGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(-c2ccncc2)cc1	745204439	NAXCWMMRXXRAKJ-UHFFFAOYSA-N	357.457	4.612	50	20	FJGD	
CCCc1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	751268751	FISIRRPRNZPISY-UHFFFAOYSA-N	351.899	4.611	50	20	FJGD	
O=C(NN=Cc1sc(Cl)nc1Cl)c1cc2c(s1)CCCCC2	755588456	BIGFZEDURHBFPP-UHFFFAOYSA-N	374.318	4.544	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ncsc1-c1ccccc1	783685533	GFWDBJPCHATFMI-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1)c1ccccc1	787142354	UTGTYKUCXPKIRT-LYPXWFNGSA-N	365.502	4.975	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)c1ccc([N+](=O)[O-])cc1	789127946	PNMPSIVBTYKTPD-MHWRWJLKSA-N	364.792	4.557	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c(Br)c1	794691870	QPDJFRKFDQYESD-DHDCSXOGSA-N	356.219	4.556	50	20	FJGD	
N#C/C(=C\c1ccccc1Br)C(=O)c1ccc2ncccc2c1	794885284	QKRQTZKQXUWWJE-MHWRWJLKSA-N	363.214	4.787	50	20	FJGD	
O=C(NNc1ccc(Br)cc1F)c1cccc(C2CCC2)c1	798981869	VVFPHZPKKZXHRH-UHFFFAOYSA-N	363.230	4.613	50	20	FJGD	
Cc1nc(C(C)(C)NCc2ccc(OCCCCl)cc2)sc1C	811479394	GHINTQXJWQPKGE-UHFFFAOYSA-N	352.931	4.793	50	20	FJGD	
COc1ccc(NNC(=O)c2oc3ccccc3c2C)c(C(F)(F)F)c1	816702073	XAXAZXYRQPKTMJ-UHFFFAOYSA-N	364.323	4.526	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)c1nc(C2CC2)cs1	843264864	KNCNIXMKGBDOSW-VCHYOVAHSA-N	360.486	4.946	50	20	FJGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	843543203	NUWXWNWALUQVMZ-GFCCVEGCSA-N	357.281	4.527	50	20	FJGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)c3ccc4ccccc4c3)sc2n1	917546632	CMSSGZRXSJQBGU-UHFFFAOYSA-N	374.469	4.534	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3nc(N)c4ccccc4n3)cs2)cc1	1318001123	WQFFRCDKBUHRJG-XNTDXEJSSA-N	369.453	4.708	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)c(Br)c1)c1ccccc1Cl	1319955974	UMFZBBVNKAIWBQ-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CC(C)(C)[C@@H]1COC(C(C)(C)P(c2ccccc2)c2ccccc2)=N1	1988188013	IZPNWDIHIVBRDB-IBGZPJMESA-N	353.446	4.741	50	20	FJGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1C	160710690	MSMPFCUUYBCGNP-ZSOIEALJSA-N	366.852	4.835	50	20	FJGD	
CSc1ccccc1C(=O)NNc1ccc(Br)cc1Cl	172197361	BDTDAOHXLZQLMY-UHFFFAOYSA-N	371.687	4.581	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1F	178722567	VDROEZCDFYILBI-VZUCSPMQSA-N	352.262	4.529	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnc4ccc(C)cn34)n2)cc1	255713150	FDKDVVQDVXTVJA-SXGWCWSVSA-N	372.453	4.839	50	20	FJGD	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(CCCCl)cc1	303102588	IDYLXWHCJWPSBK-UHFFFAOYSA-N	358.290	4.621	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2csc(-c3cccs3)n2)n1	728440753	TWFBZFOGQPIDTI-UXBLZVDNSA-N	373.484	4.569	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Br)s2)ccc1F	730436552	RUXSFSZYYRIYNB-XFFZJAGNSA-N	350.212	4.748	50	20	FJGD	
CCOC(=O)Nc1ccc(OC(=O)CCCC[C@@H]2CCSS2)cc1	730784549	XVBIZNMOQBHGTC-OAHLLOKOSA-N	369.508	4.875	50	20	FJGD	
Cn1cc(/C=C\C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	762518116	NHKSRMJGJOAUBS-WAYWQWQTSA-N	353.316	4.729	50	20	FJGD	
CC(C)[C@H](CCO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762967526	CMCUQNAZFPJSDZ-LBPRGKRZSA-N	362.364	4.873	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(-c2ccco2)s1	764718164	UTVPZPKVZIRDPL-UHFFFAOYSA-N	352.337	4.784	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1OC	764883791	BVYDBLLBZSUQOA-SXGWCWSVSA-N	355.821	4.846	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(Cl)cc1	767906488	XSQJVELSQZACTJ-XFXZXTDPSA-N	366.726	4.784	50	20	FJGD	
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)c1cccc(C(F)(F)F)c1	780526077	BRNKWLKKWJDIQK-DHZHZOJOSA-N	370.252	4.909	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	789892965	MNRRDPJABBASGD-YBEGLDIGSA-N	350.805	4.513	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1c[nH]c2cc(Cl)ccc12	794936897	GWFBOAKRPHRLJW-UITAMQMPSA-N	358.731	4.595	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1cc(Cl)cc(Cl)c1	810199124	PXRJHFKFWXQJLM-NSIKDUERSA-N	371.223	4.858	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1C	824107320	GJAFPOYNKHOQLJ-KOWBDXASSA-N	374.488	4.513	50	20	FJGD	
CC(C)Cn1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C(F)F)n1	828101528	OQBGRYIJSABTDL-UHFFFAOYSA-N	364.440	4.531	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C(=O)N3CCCC3)cc2)n1	864365879	FIDYDJKPYRMHGX-GZTJUZNOSA-N	351.475	4.567	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(C(=O)N3CCCC3)cc2)s1	864366643	WOBBSGMCBDFYDK-ATVHPVEESA-N	365.502	4.741	50	20	FJGD	
CN(CCCOc1ccc(F)cc1)C(=O)CCCC[C@H]1CCSS1	915097960	NGOKYIMABDUTGC-KRWDZBQOSA-N	371.543	4.767	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)c1cc2ccccc2o1	917039572	JHHLPVWRYXUHHQ-AUWJEWJLSA-N	365.772	4.647	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)c1ccccc1F	921266193	WQKJNINYDPHUGJ-IZZDOVSWSA-N	350.176	4.931	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccc(Cl)s3)cc2)cn1	1321107107	ULMXXCPWWSSBQU-ZSOIEALJSA-N	353.834	4.592	50	20	FJGD	
CC(=O)Nc1cccc([C@@H](C)OC(=O)CCCC[C@@H]2CCSS2)c1	67741217	RHHXGDOYNQTHLU-CXAGYDPISA-N	367.536	4.963	50	20	FJGD	
CC(C)(C)C(=O)NCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186051231	WGTTYUBAQRWKAT-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
C[C@](C#N)(NC(=O)CNc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	186145990	FHJANRYNCDKTRJ-CQSZACIVSA-N	369.359	4.564	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccccc3)CC2)c1C	726517051	VTBSTIQFBAHWGE-HMMYKYKNSA-N	361.489	4.618	50	20	FJGD	
O=C(NN=Cc1ccccc1Cl)c1ccc(Br)cc1Cl	728782572	ODOLVLCVSHKJOU-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1csc([C@H](NC(=O)CCCC[C@H]2CCSS2)C2CC2)n1	742091677	YEQKSWXFIRYZDG-DZGCQCFKSA-N	356.582	4.733	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OC(F)F)cc1C	742346548	MXKBFAMXORZPJY-NTEUORMPSA-N	360.335	4.590	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)Nc1cccc2ccccc12	747033684	KGQURYBXOODSPV-LFIBNONCSA-N	364.351	4.987	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)Nc1ccc(Cl)cc1	767708598	XPPUYVIWANWCCI-UKTHLTGXSA-N	357.866	5.000	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F)c1ccccc1	771838689	AFFDSABGJFMWDX-ZENNRRHLSA-N	362.326	4.629	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)c1cc(F)cc(F)c1	772177426	VSZOJJSZWSBLNT-QCDXTXTGSA-N	353.246	4.653	50	20	FJGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1O	776763252	INDZIIPBQRMQAE-UHFFFAOYSA-N	358.800	4.538	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)C(=O)c1ccc(Cl)s1	783687414	IVESZYYQQHJPHK-OQFOIZHKSA-N	352.198	4.573	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1ccnc2cc(Cl)ccc12	790498145	PGRGWWZDAWQKBD-UHFFFAOYSA-N	371.893	4.898	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(-c2cc[nH]n2)cc1	792298064	FDHMEXHGEXTIMI-UHFFFAOYSA-N	362.220	4.532	50	20	FJGD	
Cn1cc(/C=C\C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	792549005	CEENOASYWLFZEF-UQCOIBPSSA-N	353.316	4.729	50	20	FJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1ccc(-n2cccn2)cc1	811481711	KTBXCFWJQINCMK-QGZVFWFLSA-N	369.896	4.731	50	20	FJGD	
C[C@H](O)CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	847174912	PFHREXRETOKGKQ-VIFPVBQESA-N	360.348	4.721	50	20	FJGD	
C=CCCO[C@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	921151428	WONIDRHOKDNQFE-YGRLFVJLSA-N	367.820	4.826	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1csc(-c2ccc3c(c2)OCO3)n1	1318300141	VZOUORIXSYBTLM-OVCLIPMQSA-N	374.421	4.637	50	20	FJGD	
COC(C)(C)c1noc(/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	1331450659	JONWSEORRLPSQS-SFQUDFHCSA-N	368.481	4.939	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1	1338037439	GAUYZCVWAULCIH-ZIAGYGMSSA-N	358.707	4.813	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1	58174602	LQSHYJXTZAZJDJ-QPEQYQDCSA-N	368.805	4.831	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Br)s1	133075849	LQOJZVHQUHFKOW-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1C#N	173017243	RTSDEWYKBMWTFN-MDWZMJQESA-N	357.196	4.664	50	20	FJGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1c(Cl)cccc1Cl	179830293	KPFLFRJAPHGRND-UHFFFAOYSA-N	368.220	4.584	50	20	FJGD	
N#C/C(=C/c1cccc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3	255539954	SNHKWBHRVXIKHY-WQLSENKSSA-N	367.861	4.993	50	20	FJGD	
O=S1(=O)CCC[C@@H](CNc2cccc(S(F)(F)(F)(F)F)c2)C1	285125316	KEJAUEJGQNUDDR-JTQLQIEISA-N	365.389	4.581	50	20	FJGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1cccc2ccccc12	726702904	NMKDXYUQJFPZLY-ZDUSSCGKSA-N	371.387	4.829	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1cccc(OCc2ccc(Cl)cc2)c1	728858945	DYBKHWZAWUYCMD-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	733931068	RBPQWYRLHSWATO-ZDUSSCGKSA-N	371.308	4.751	50	20	FJGD	
COc1cc([C@@H](C)NC(=O)NNc2ccccc2)ccc1OCCC(C)C	734269489	LNCVRUAYRYRPBJ-MRXNPFEDSA-N	371.481	4.507	50	20	FJGD	
C=CCOCCCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	744358324	KZFSTSWBAYYUAN-CQSZACIVSA-N	367.820	4.827	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(CCC(F)(F)F)cc1	752621448	GUFWTZNMFOHANB-UHFFFAOYSA-N	365.380	4.548	50	20	FJGD	
COc1cc(C(=O)NNc2cc(Cl)ccc2Cl)ccc1OC(C)C	752810063	NTDNPESKUOBVJS-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
O=C(NN=Cc1cc(Cl)ccc1Cl)c1cccc(Br)c1	753709168	NDGDJKISHMMCKL-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccccc2)c1C	768746100	DGZQBUPEMIIZGM-QGHRKWBVSA-N	366.461	4.524	50	20	FJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1	769954154	PFHUOMVONPMXDD-FQEVSTJZSA-N	360.392	4.630	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3c(F)cccc3Cl)s2)o1	770196852	HDPZEHUDUNIDBX-UHFFFAOYSA-N	350.802	4.866	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	785037133	HEHMNLCAAHLZPI-KMHUVPDISA-N	362.326	4.629	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ncc(-c2cccc(Cl)c2)o1	785378227	MKTMNSVTHZRGOJ-CXUHLZMHSA-N	364.788	4.645	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791731968	GRYFJNLODPXLCB-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCOC(=O)c1scnc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	794937660	HXENETPUADMSBG-JYRVWZFOSA-N	367.455	4.507	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)Nc1c(Cl)cccc1Cl	811686648	YXHZOOAEFCWTCV-XFFZJAGNSA-N	360.175	4.550	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1ccccc1C(F)(F)F	812824357	ZEIYJAYYPYJJKM-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@@H]1CCCSC1	812861341	QNFRZZCXQFOAAJ-RNCFNFMXSA-N	369.861	4.988	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)n2)sc1-c1ccc(F)cc1	817010498	FGYIFCZPIKKZGE-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
Cc1ccc(C(C)C)c(Oc2ccc(/C=C(/C#N)C(=O)O)cc2[N+](=O)[O-])c1	915841264	GSKHXGQHGUFTPX-DHDCSXOGSA-N	366.373	4.811	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(OC[C@@H]3CCCO3)cc2)c1	918713297	IHRDUFDYMQOBDZ-IMEWXKHHSA-N	361.441	4.651	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)c1cc(Cl)cc(Cl)c1	921138415	JQGMRDZCAZOOJM-OVCLIPMQSA-N	368.223	4.969	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccnc2Cl)c(C)n1CCC(C)C	1115825446	NCIRRUUZAGBXPA-GZTJUZNOSA-N	370.884	4.745	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3cc4ccccc4o3)o2)cc1	1261427932	RFYXRQCQOHTQMB-WJDWOHSUSA-N	357.369	4.946	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2sccn12	7900645	BOTVJUGLFJQFSZ-RVDMUPIBSA-N	359.410	4.754	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	102713855	SPCWXWISJSMDPT-WTKPLQERSA-N	371.145	4.956	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1c(C(C)C)nn(C)c1Cl	128045789	VMXCPPMBOVBUJD-UKTHLTGXSA-N	366.852	4.777	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)cc1	132034546	FTCKIUSHBNHDPE-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)cc1	141372778	QYSGWZTTWMIPKB-RIYZIHGNSA-N	351.456	4.726	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2occc2CSc2ccccc2)c1	150826890	NYWYVEBTAJDRPT-UHFFFAOYSA-N	356.422	4.776	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cn(Cc2ccccc2)c2ccccc12	154089008	DRDUHVHJYQEXKT-UHFFFAOYSA-N	359.404	4.586	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727800115	MNPGDQYJOYONFE-QWHCGFSZSA-N	355.652	4.894	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N2Cc3ccccc3C2)c(C)n1CCC(C)C	729954219	HTOJDGMZTXYJJV-UUYOSTAYSA-N	361.489	4.600	50	20	FJGD	
Cc1nc(C)c([C@H](C)N(C)C(=O)CCCC[C@@H]2CCSS2)s1	730248021	XVWWJLBPMRQLDM-GXTWGEPZSA-N	358.598	4.993	50	20	FJGD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)CCCC[C@@H]2CCSS2)s1	730248041	XVWWJLBPMRQLDM-TZMCWYRMSA-N	358.598	4.993	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(COc2ccccc2)cc1	746696894	BCZLHBUVWIWAEP-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H](C1CCCC1)C(F)(F)F	752765894	UVXXEPQHPCDSGR-GXTWGEPZSA-N	355.491	4.938	50	20	FJGD	
O=C(NNc1cccnc1Cl)[C@H](Sc1ccccc1)c1ccccc1	754475720	SSHFNHJPSGQKPL-QGZVFWFLSA-N	369.877	4.712	50	20	FJGD	
CCC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	760216294	PIVIWEBPPKBGPM-UHFFFAOYSA-N	371.651	4.996	50	20	FJGD	
O=S(=O)(CCC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762456604	KCRMTEIMBVKPNI-UHFFFAOYSA-N	351.362	4.886	50	20	FJGD	
CC(C)(C)n1cc(C#N)cc1NC(=O)NNc1c(Cl)cccc1Cl	763263892	VJYZXNYWHNOULH-UHFFFAOYSA-N	366.252	4.570	50	20	FJGD	
CCC[C@@H](C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777844565	LTLAHLIWXCSIAI-SECBINFHSA-N	353.378	4.811	50	20	FJGD	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)/C(C#N)=C/c1ccc(O)cc1	787385392	FAVQYYWMLOPSHA-JPOGYNCRSA-N	360.457	4.689	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cscc1Br	802823684	AFIWBQZLVDPZBW-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1OCCCC#N	843263072	AFHPXLYKTYPVKM-MHWRWJLKSA-N	365.458	4.776	50	20	FJGD	
Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccccc2Cl)cc1	861629536	SVZOBLJUENICTH-UHFFFAOYSA-N	364.832	4.636	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	912596567	MSKQGRQJTOONNO-UHFFFAOYSA-N	353.425	4.967	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@H]2CCOC23CCOCC3)c1	926596495	MXWOLJGGMIYEBF-AWEZNQCLSA-N	373.387	4.772	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1oc(C2CC2)nc1C(F)F	1123665725	QTICMCPVVAWJGB-UHFFFAOYSA-N	362.163	4.553	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1OC(F)F	55040817	YBIVZTCHAIXNFG-LCYFTJDESA-N	363.385	4.847	50	20	FJGD	
CCN(CC)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cn1	71960841	OHVHBYKNIWUINZ-HNNXBMFYSA-N	353.557	4.580	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1	123670552	IYZAYDXNXYFMRZ-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cccnc2Cl)c(C)n1CC(F)(F)F	171540864	OQTCWLQNTPDJMT-NTUHNPAUSA-N	367.758	4.506	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	730151975	WFQMRTHJMQNVNZ-AQTBWJFISA-N	364.445	4.666	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)ccc1OC(F)F)c1ccccc1	731931916	UASQBTYLGWPWSR-OAHLLOKOSA-N	366.795	4.585	50	20	FJGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)NNc3ccccc3)s2)cc1	734275914	RTVXBZZKTGSSNZ-HNNXBMFYSA-N	366.490	4.814	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)c3nc(C)c(C)s3)cs2)cc1	741475329	YIGPTEXYQZQITH-RIYZIHGNSA-N	353.472	4.956	50	20	FJGD	
C[C@H](CCNC(=O)NNc1ccc(F)cc1)c1cccc(C(F)(F)F)c1	746423301	XSLKDNZSZLHCOE-GFCCVEGCSA-N	369.362	4.664	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccc(OC(F)F)c2)c1C	747033602	HTTFGIRMIGNNGB-MHWRWJLKSA-N	356.372	4.682	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc2cnccc12	748769283	CKTUCVVMURQWGG-GFCCVEGCSA-N	357.866	4.512	50	20	FJGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	750233912	WOHJHKJEZBLELP-LBPRGKRZSA-N	352.356	4.640	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl	761394820	WOAXPHPBFITIRW-KPKJPENVSA-N	374.202	4.858	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3Cl)nc12	767728444	HCWFOXIHMQSXAM-WDZFZDKYSA-N	373.641	4.746	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1ccc(F)c(F)c1F	775545220	QOHJZCBIYHWPBK-UHFFFAOYSA-N	369.412	4.673	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12	776656366	TXGNIENKOWWESM-RVDMUPIBSA-N	354.365	4.837	50	20	FJGD	
Cn1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C2CCCCC2)n1	780801979	AQORMKRULCUKKR-UHFFFAOYSA-N	354.498	4.522	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(Br)cs2)cc1	780808288	DCNKCVHHYFYARO-UHFFFAOYSA-N	353.285	4.565	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(SC(F)F)cc2)c1	781546591	GIPYLBUOEJCMIT-UKTHLTGXSA-N	360.385	4.556	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C2CCCCC2)c1C	783682565	BMPZFIAJUQLWCL-PDGQHHTCSA-N	362.477	4.630	50	20	FJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)CCc1ccccc1	786039297	GAHUSAITMUVBMS-UHFFFAOYSA-N	360.910	4.923	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C(F)(F)F)cc1	789018658	ZVZYEFLUQSNZPB-JTQLQIEISA-N	370.758	4.584	50	20	FJGD	
COc1cc(NNC(=O)[C@H](C)c2ccc3ccccc3c2)ccc1Cl	790179563	WELNDLMMQPLYQR-CYBMUJFWSA-N	354.837	4.749	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)c(C(F)(F)F)c1	794871930	GCLGXXHPOZLVQO-UKTHLTGXSA-N	362.326	4.700	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(C(C)(C)C)cc1	807211699	HCZWOLVPZMZSLC-MRXNPFEDSA-N	361.489	4.854	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCCCCl)cc1	811685732	ATNILTKBRIUVSR-AQTBWJFISA-N	368.864	4.857	50	20	FJGD	
Cc1csc([C@@H](NC(=O)NNc2c(C)cccc2C(C)C)C2CC2)n1	813085338	ZZIGCEMMWJHNGF-KRWDZBQOSA-N	358.511	4.661	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(C(C)C)cc2)cnn1C1CCCC1	837053423	SMPVUIGRNLWVJS-UHFFFAOYSA-N	354.498	4.831	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc2c(cc1Cl)OCO2	914752580	DCQNZTKQYVCRGI-JTQLQIEISA-N	359.900	4.721	50	20	FJGD	
CC(C)(C)[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776268585	WHWXEHBSWHNAOD-INIZCTEOSA-N	351.563	4.660	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc(Cl)c1O	16441588	QSPBFHUJKNLBRP-NTUHNPAUSA-N	366.804	4.715	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(N(C)CCC#N)cc1	28605561	QBWMEXPAKSLFNJ-NBVRZTHBSA-N	368.440	4.616	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2cc(F)c(F)c(F)c2)c2ccccc2n1	128765698	WIYQGFCOSSLDAF-UHFFFAOYSA-N	359.351	4.532	50	20	FJGD	
Cc1cccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)n1	167027140	AKMRBAYYUSTXNU-WBVHZDCISA-N	350.553	4.768	50	20	FJGD	
Cc1csc(-c2cccc(C(=O)NNc3ccc(Cl)c(F)c3)c2)n1	175440597	MMAAUQWJODSSQN-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
Cc1c(NC(=O)CCCC[C@@H]2CCSS2)cnn1C1CCCC1	192697198	HCMSGIZULQLIQS-OAHLLOKOSA-N	353.557	4.959	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cccc(C)c1	195662080	JDZHXPLCZZRETR-UHFFFAOYSA-N	352.459	4.879	50	20	FJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	214068853	DRPZLIVAIATQKQ-UVTDQMKNSA-N	360.335	4.650	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1O	277138384	DKBCXSHHWRETPB-SKDRFNHKSA-N	360.348	4.579	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1cc2c(ccc3ccccc32)o1	728700468	PXQRZSIQFHMOJG-ALCCZGGFSA-N	350.805	4.917	50	20	FJGD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)CCCC[C@H]2CCSS2)s1	730248039	XVWWJLBPMRQLDM-OCCSQVGLSA-N	358.598	4.993	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1ccc(F)cc1Cl	733277183	IJAIPZXRXDDRGS-CQSZACIVSA-N	361.935	4.852	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)c1C	742909630	LOEYCQARROQJOU-WJZSJHQNSA-N	373.566	4.555	50	20	FJGD	
C[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1c(Cl)cccc1Cl	746704810	KIHYJSGZUSDUMM-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1cc(Cl)ccc1Cl	748510248	DFHANQSMPKDKHC-FPLPWBNLSA-N	364.257	4.760	50	20	FJGD	
C[C@H](CCC(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	750429543	WJIUPXUEPFUWKI-CQSZACIVSA-N	366.383	4.655	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	751321956	PNMHXTHXARGHHZ-GKUGFIGPSA-N	372.818	4.932	50	20	FJGD	
CC(C)(C)O[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccccc1	754083940	BGHSCTBGUKEZHS-MRXNPFEDSA-N	366.383	4.705	50	20	FJGD	
COc1ccc2cccc(CC(=O)NNc3cccc(C(F)(F)F)c3)c2c1	754088384	XRJSBYHRNAOWLH-UHFFFAOYSA-N	374.362	4.553	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	771518930	AYVFOWSPHLNFMW-ATVHPVEESA-N	366.424	4.667	50	20	FJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3c(F)cccc3F)cc2)nc1	775619655	HZHWWNVDABSUEC-UHFFFAOYSA-N	370.359	4.609	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1noc2c1CCCCC2	780146106	FCXAFYISFYEKBV-UHFFFAOYSA-N	374.655	4.661	50	20	FJGD	
C[C@H](O)C[C@H]1CCCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788021223	LVFFMSUHCUVSID-FXAWDEMLSA-N	363.618	4.944	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)ccc1OC	794884599	JKTAPQNPMMZLNM-ODLFYWEKSA-N	372.424	4.570	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(F)c2ccccc12	795201129	RIFYOSFYKMHSRK-UHFFFAOYSA-N	366.289	4.894	50	20	FJGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNc3cccc(F)n3)o2)cc1	804770967	AZLCWJKVEWMCTF-UHFFFAOYSA-N	353.397	4.535	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	811684975	FVYJIVJAIJEQSK-WZUFQYTHSA-N	364.144	4.874	50	20	FJGD	
N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC(Cl)Cl)c1	819795250	VUPUJEJEVBDDIV-UHFFFAOYSA-N	369.635	4.537	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)nc1	843123102	ZKFXRRGVKSJUAC-UNOMPAQXSA-N	362.477	4.859	50	20	FJGD	
COCCCOCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	857603512	BXOHSZLWZNDFRZ-UHFFFAOYSA-N	363.348	4.726	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C/C(C)=C\c2ccccc2)cc1OC	916348995	SUCDKDNSQHXOKQ-LBEWBDEWSA-N	366.461	4.693	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cccc(OC(C)C)c2)cc1	918976651	LFVRFTXSVBYAFO-UNOMPAQXSA-N	365.429	4.523	50	20	FJGD	
CC(CCc1cccc(F)c1)=NNC(=O)c1ccc(Cl)cc1Cl	920371136	QRGHRJXKZFPMPN-UHFFFAOYSA-N	353.224	4.871	50	20	FJGD	
Cc1ccc(NNC(=O)[C@H](C)c2ccc(Br)s2)cc1Cl	1318883781	FCQMNKNJXYVUHV-SECBINFHSA-N	373.703	4.719	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2F)CC1	1776779021	LCAFKISAWFUVEN-ATVHPVEESA-N	357.425	4.997	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OCC)c2)cc1	6429809	NFBXPILSTLFVCM-QGOAFFKASA-N	364.445	4.679	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	8117381	GQKXZLWAEGQEGU-PCKNOYNLSA-N	370.836	4.919	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccoc2C)cc(C)c1OCc1ccccn1	36834896	HFBUSYYFYIQHEE-XDHOZWIPSA-N	372.424	4.969	50	20	FJGD	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3cccnc3)n2)cc1C	57549076	VIEPNNLDCKUYFF-MFOYZWKCSA-N	374.469	4.676	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCOC[C@H]1C1CC1	184415758	OCYUIHSEWMKYQK-ZDUSSCGKSA-N	372.359	4.987	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)S(=O)(=O)c1cc(Cl)ccc1Cl	209922808	QJRPVYCRGUSHFG-IZZDOVSWSA-N	374.195	4.610	50	20	FJGD	
Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c(C)n1CC(C)C	727781826	XXABYERPHIZONK-UHFFFAOYSA-N	366.292	4.832	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c(Cl)c1OC	730436144	GGZQXAAZPCPBCW-GDNBJRDFSA-N	355.821	4.764	50	20	FJGD	
CC[C@@H](NNC(=O)c1ccc(OCCC(C)C)c(OC)c1)c1ccccc1	732917859	QBOAEPQNLLSQSW-LJQANCHMSA-N	370.493	4.506	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cnc(-c3ccccc3)s2)ccc1[N+](=O)[O-]	766777923	IAGAIGKYTKMDGL-DHDCSXOGSA-N	363.398	4.791	50	20	FJGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@H]1C	767362496	SYBKOWSQDYVFRQ-HZPDHXFCSA-N	372.472	4.839	50	20	FJGD	
Cc1cc(C(=O)NNc2nccnc2C(C)C)sc1-c1ccc(F)cc1	772874539	CXCPWEDTUZXJSV-UHFFFAOYSA-N	370.453	4.533	50	20	FJGD	
O=C(NNc1ncccc1Cl)Nc1cc(Cl)cc(C(F)(F)F)c1	775867961	BLZPNSVOTZSZBG-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2OC(F)F)cc1	777869654	MTTHOEADXJHBJC-RVDMUPIBSA-N	372.371	4.541	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NNc3ccccc3OC(F)(F)F)cc2C1	779208803	BMVWRBTZMCBULC-JTQLQIEISA-N	370.396	4.528	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(Br)c1	780806323	KAPWMRDDCWQSOT-UHFFFAOYSA-N	361.283	4.812	50	20	FJGD	
O=C(NNc1ccccc1Cl)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780952557	ZXSLQFXGOAEQOI-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
COc1ccccc1-n1nccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398250	FPIULUZQHUKILM-KAMYIIQDSA-N	364.474	4.699	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1c(F)ccc(C)c1Br	799756183	SOVHNIWHYUGLJK-UHFFFAOYSA-N	365.246	4.524	50	20	FJGD	
COc1ccc(Cl)cc1CNCc1ccc(OCCCCl)cc1	811475662	JQRQBWNQXKFAFP-UHFFFAOYSA-N	354.277	4.646	50	20	FJGD	
O=C(NN=Cc1ccc2ccccc2c1O)c1c(Cl)cccc1Cl	814833874	SRIIWWBTUNRMKK-UHFFFAOYSA-N	359.212	4.616	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1CO	856856997	PPQUAROPQAGEGS-MNOVXSKESA-N	374.375	4.826	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)n1	914721485	DJMYAGAIWLINMN-KEBDBYFISA-N	364.493	4.627	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)no1	915985105	ILNRGEOLKGRLAI-MHWRWJLKSA-N	373.803	4.640	50	20	FJGD	
N#C/C(=C\c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1	917516070	IWQCXPVLCLWZTN-XMHGGMMESA-N	368.392	4.597	50	20	FJGD	
O=C(NN=Cc1cccc2ccccc12)c1ccc(F)cc1Br	917550070	SXTDEPLIJIPXFA-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1	23778512	YMJJQZCTSDHQEF-XDHOZWIPSA-N	367.401	4.733	50	20	FJGD	
CC(=O)Nc1cccc([C@@H](C)OC(=O)CCCC[C@H]2CCSS2)c1	67741219	RHHXGDOYNQTHLU-DYVFJYSZSA-N	367.536	4.963	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(-c3cccnc3)c2)c(C)c1	127718203	FGWNURPUHCAOIR-FYJGNVAPSA-N	353.425	4.911	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	726117574	AJTHPKQCMNKWQR-MHWRWJLKSA-N	373.859	4.945	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCc3ccc(C)cc32)c1C	730190494	CPBADELAVHKRSO-WLJFKGHSSA-N	361.489	4.534	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)c2ccccc2n1	735610753	WABWAQIWBJJMFG-GOSISDBHSA-N	357.457	4.672	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cc(OC)c(O)c(OC)c2)CC1	741470773	VOORYBKONAKSOF-WOJGMQOQSA-N	371.477	4.882	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCSCC2)c(C)n1C1CCCCC1	749818033	MKHXQRUGFAXTOR-AQTBWJFISA-N	371.550	4.529	50	20	FJGD	
Cc1csc(CCCC(=O)NN(Cc2ccccc2)c2ccccc2)n1	773804163	BQAHMYVOQNWMSC-UHFFFAOYSA-N	365.502	4.512	50	20	FJGD	
CC[C@H](C(=O)NNc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1	777465026	XNNZVMDXQOPPAP-INIZCTEOSA-N	373.378	4.891	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1nccs1	782178650	CTBKZPLZURTSRK-NSHDSACASA-N	352.790	4.615	50	20	FJGD	
Cc1nc([C@H](C)OC(=O)/C(C#N)=C/C2CC2)oc1-c1ccc(Cl)cc1	786675319	IAEURPVWPCUJRF-DGGAMASNSA-N	356.809	4.768	50	20	FJGD	
O=C(NNc1ncccn1)Nc1ccc(Cl)cc1-c1ccccc1Cl	788697692	SPMPNJOQUNNBBZ-UHFFFAOYSA-N	374.231	4.599	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NCCSSC	791153681	ZZRIWIGURAGXRB-UHFFFAOYSA-N	363.504	4.619	50	20	FJGD	
CC(C)(C)CCC(=NNC(=O)c1c[nH]c2ccccc12)c1cscn1	807945500	PCTRNRZHPGDLQX-UHFFFAOYSA-N	354.479	4.585	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CCC#N)C(C)C)c(C)n1C1CCCCC1	813431932	QUFCDORCMDWEJZ-XSFVSMFZSA-N	366.509	4.668	50	20	FJGD	
CN1CC[C@@H]2CN(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)C[C@@H]21	836512875	UOKVMIHDNJQLKU-MFKMUULPSA-N	371.375	4.512	50	20	FJGD	
C#CC[C@H](CCOC)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	860935270	KQRNGFJYRWBZEV-LLVKDONJSA-N	372.359	4.894	50	20	FJGD	
CCC(C[C@H](C)CC)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	915946717	SLOPBXJTAVZOQV-SSDOTTSWSA-N	365.692	4.556	50	20	FJGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	916140679	HBOLJWSUVURZKK-FOWTUZBSSA-N	359.385	4.629	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)c(F)c2)c1C	917835615	FFKWGDKIRRWHPO-BOPFTXTBSA-N	369.440	4.598	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)c1nc(N)c2ccccc2n1	1116768726	TYAJGMVAMRDMEU-JXMROGBWSA-N	359.191	4.722	50	20	FJGD	
CN(C(=O)c1cccc(CCl)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	1338949562	JFFOIJPLLUOAPG-RTBURBONSA-N	361.844	4.557	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cc(F)c(C(=O)O)cc2F)cc1	1776271623	LMGRMLMJZHIECV-RIYZIHGNSA-N	369.367	4.750	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1csc(-c2ccco2)n1	132236434	QHLMAAQQQNYVEM-CYBMUJFWSA-N	368.549	4.733	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OC(F)F	211409652	IRJNDWOGGHHKTD-ZROIWOOFSA-N	360.335	4.590	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(F)c(F)c2F)oc2ccc(Cl)cc12	727759230	USBXTCYBUIJBOK-UHFFFAOYSA-N	354.715	4.569	50	20	FJGD	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1	732713370	AHGIGZVMCOVLDN-LDADJPATSA-N	372.428	4.802	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C(F)(F)F)ccc2F)n1	733207186	WCDGCKNMEPLNRH-YHYXMXQVSA-N	370.327	4.542	50	20	FJGD	
CC[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1cccc(Cl)c1	734659596	XTGTYHMRTOSMHP-CQSZACIVSA-N	357.763	4.535	50	20	FJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)c1	738555665	FYIZHAFANMJRIU-MRXNPFEDSA-N	369.534	4.630	50	20	FJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)Nc1ccccc1Br	750817803	LDUKYFQZDITUHI-PTNGSMBKSA-N	367.246	4.872	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cnc4c(c3)c(C)nn4C)n2)cc1	750902479	KKYKRNLEXPEFRB-CAOOACKPSA-N	371.469	4.773	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1ccc(F)cc1F	752143783	NSEWTHVTTSGVEN-UHFFFAOYSA-N	352.793	4.519	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC(F)F)c(F)c2)c1C	754680817	RWZMREFUHNOLDS-OQLLNIDSSA-N	374.362	4.821	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)c1	760134196	STIYSKPGFJSDAE-UHFFFAOYSA-N	369.827	4.970	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)c(C(F)(F)F)o1	771414416	UESJWRZLYIQHPY-UHFFFAOYSA-N	353.127	4.671	50	20	FJGD	
CCOc1ccccc1-c1cccc(C(=O)NNc2cc(C)ccc2F)c1	772824393	PPEUPODEHSATKX-UHFFFAOYSA-N	364.420	4.957	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cc(Br)ccc2Cl)ncn1	773174876	ABCKSJOCKMVAJV-ONNFQVAWSA-N	366.671	4.679	50	20	FJGD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	787271250	QEKNTNFCFXKYKD-NXEZZACHSA-N	372.359	4.574	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cn1	788331553	NKSKSDUFUISRRA-YVLHZVERSA-N	361.470	4.931	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1OC	790228123	QDCHBLBLCXYCSY-VUVCFOEZSA-N	359.429	4.880	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1cc(Cl)cc(Cl)c1	791722605	KLUPVCDKJJJXFI-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	794875679	XKHNDBPCADVNKM-MDWZMJQESA-N	355.419	4.631	50	20	FJGD	
N#CC[C@H](CC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccccc1	796791936	GSOVMXOFCJHRRR-MRXNPFEDSA-N	360.369	4.741	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	798345107	QXGHPPTZYITMNO-MLPAPPSSSA-N	352.825	4.697	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NNc1ccccc1Cl	912646431	ZINVWCKFTXRXRX-UHFFFAOYSA-N	352.821	4.529	50	20	FJGD	
CNC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	912777385	BNRRCRATQUWKHO-WQRHYEAKSA-N	359.454	4.542	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1	915991706	IYXBYNFXZGVCNB-OIOXUXFSSA-N	365.273	4.691	50	20	FJGD	
Cc1ccc(NNC(=O)c2cnc(-c3ccccc3F)s2)cc1Cl	1115892442	VAMVXTAWPXSFJI-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1C	11293638	WDPVDQMKHUXEIZ-UKTHLTGXSA-N	361.228	4.856	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1nc2ccccc2s1	27312595	MMMYNUNWFOERFR-GFCCVEGCSA-N	352.550	4.627	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2nc(C)c(C)s2)o1	125427795	UOYJIOUFCTXQFP-UVTDQMKNSA-N	364.426	4.871	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(F)c(C(F)(F)F)c1	153779676	DLMWXIMTFJWNFP-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
Cc1nn(-c2ccccc2)cc1NC(=O)CCCC[C@H]1CCSS1	181245848	HBYBHFWMXFBOFB-INIZCTEOSA-N	361.536	4.833	50	20	FJGD	
CCC1(NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	194637404	OPCMRBPOXVPYRK-UHFFFAOYSA-N	372.359	4.731	50	20	FJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)s2)c1	728781543	QBNDMSVVZXXNIR-UHFFFAOYSA-N	365.845	4.704	50	20	FJGD	
CCc1oc2ccccc2c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	730578227	CRFARUOZHHAYFM-PTNGSMBKSA-N	371.845	4.987	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	733362086	MXJVIBYARLPFDW-WDEREUQCSA-N	357.187	4.518	50	20	FJGD	
Cc1noc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	748635605	CIXHWYWFRRHPGY-WOJGMQOQSA-N	366.465	4.761	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)noc3C)c2C)c1	748636271	KDBWTHWNCQQYSL-YBFXNURJSA-N	374.444	4.553	50	20	FJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)Nc1nc(-c2ccncc2)cs1	750818025	MSEZZWZFTKNRTD-BOPFTXTBSA-N	372.453	4.628	50	20	FJGD	
CC(C)(C)Oc1ccncc1NC(=O)CCCC[C@@H]1CCSS1	752456008	PWWXEFPTOZJGFN-CYBMUJFWSA-N	354.541	4.912	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(Cl)cc1C	767340893	IUAUBSBLIXTXHH-OQLLNIDSSA-N	370.836	4.560	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)cc2)s1	768246697	CSMUKIJHWNUSPV-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773324954	FQZZSUWSLCQTJO-UWVGGRQHSA-N	372.359	4.539	50	20	FJGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)c1cc2c(s1)CCCCC2	783514568	OIUUAZPCBBHNGS-LBPRGKRZSA-N	358.429	4.855	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c(C)oc3ccccc23)cc1	787155583	TWQBFIQXEBNQOB-RFRKOGIWSA-N	360.413	4.534	50	20	FJGD	
CCc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)cnn1C1CCCC1	789846239	OKLRUHWLXMJBCI-UHFFFAOYSA-N	354.498	4.615	50	20	FJGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ncnc(Cl)c3C(C)C)oc12	798142515	MRAADIVGBPRORW-UHFFFAOYSA-N	372.856	4.682	50	20	FJGD	
N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)C(=O)NCc1ccccc1	817912466	PPNDTEOOIBYFLH-XYOKQWHBSA-N	365.647	4.870	50	20	FJGD	
Cc1ccc(SCC(=O)NNc2cccc(C(F)(F)F)c2)c(C)c1	912641708	KCWKBIXTCBCFOX-UHFFFAOYSA-N	354.397	4.558	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2-c2ccccc2)cc1	917517352	ORYLURHCSZQADH-XDJHFCHBSA-N	354.409	4.908	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cc2c(s1)CCCC2	918098727	MDRDKUMCTHMXSG-AWEZNQCLSA-N	355.594	4.957	50	20	FJGD	
CC(C)[C@@H](CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776303231	XYKNJTDEPHPECJ-QGZVFWFLSA-N	351.563	4.517	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	1942924	VCUIAXZHFGVGPD-CPNJWEJPSA-N	374.893	4.525	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)c1nc(-c2ccncc2)cs1	58215503	AKEYLHVQKMDDQH-GRSHGNNSSA-N	369.453	4.514	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c(OC)c1	59270125	ILYODUZSWZVCPV-NTUHNPAUSA-N	366.804	4.628	50	20	FJGD	
O=C(NNc1ccncc1)Nc1ccccc1-c1nc2ccccc2s1	121787262	GSUDJPUDBWRWCV-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1	127602230	VGAYKZBTBCIJFV-UHFFFAOYSA-N	363.442	4.930	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c2cccnc12	153786587	VAHYOCZVQNKLKK-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccccc1COc1ccccc1	178495661	WLPICLHNWLBHNQ-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1ccc(C(C)(C)C)cc1	181123279	BOFJYRIDOUDQNV-UHFFFAOYSA-N	370.541	4.529	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\C1=Cc2cc(Br)ccc2OC1	726118062	IHYDUZLPPGSDKX-NVNXTCNLSA-N	360.251	4.680	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1cc(F)ccc1Br	728436208	NMWUTRHRBJIFFC-NEPJUHHUSA-N	367.262	4.664	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccc(F)cc1	733205035	IFNKMTLEKVUBBY-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1Cl	733780824	VWNQCDFOUZDCMJ-TXSGFDOJSA-N	356.809	4.611	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc2c(s1)-c1ccccc1OC2	748560751	GBPJEKKNIDYDNH-UHFFFAOYSA-N	354.406	4.512	50	20	FJGD	
N#CC1=CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1	760004138	VXBKGEZORKMNGS-UHFFFAOYSA-N	374.337	4.807	50	20	FJGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2csc(Cl)c2Cl)c1	761386224	OLKJLQDJJTVZKQ-WUXMJOGZSA-N	351.258	4.587	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1C(C)(C)C	763289217	GXBBTHSAHUUEDI-LDADJPATSA-N	373.456	4.920	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@H](C)[C@@H](C)C3)s2)cc1	767362751	ZBWIUDCLJHIOQB-STQMWFEESA-N	371.506	4.548	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773162706	XABYCBLRRZSAIE-AWNIVKPZSA-N	362.257	4.645	50	20	FJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ncc(Cl)cc1Cl	775266588	XTRHAXIXUDVMBL-RMKNXTFCSA-N	356.640	4.588	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccccc1C#N)c1ccc(Cl)cc1Cl	787175576	CJINAVBJENRSBD-AAWHYMEISA-N	370.239	4.649	50	20	FJGD	
COc1cc(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)ccc1Cl	790181210	YYFCGXRUOOKBEP-CYBMUJFWSA-N	372.774	4.528	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)s1	790610542	VSJRZDBQCAXTLB-XYOKQWHBSA-N	362.401	4.832	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794883471	BHCJUZLWMMHVLM-GDNBJRDFSA-N	364.836	4.535	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCCCl)cc2)c(C)c1	811686139	OKJLLPPIKSANRP-AQTBWJFISA-N	368.864	4.857	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCc3ccncc32)c(C)n1C1CCCCC1	813512553	WDSZOFFERLVNGV-MOSHPQCFSA-N	374.488	4.501	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1	814639763	DHWQVXBSBJDYAF-KSEXSDGBSA-N	357.501	4.539	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2coc(C(C)C)n2)c(C)n1CC(C)C	841259079	MVBSICQQBIHKJR-QGMBQPNBSA-N	369.465	4.523	50	20	FJGD	
CCN(C(=O)CCCC[C@@H]1CCSS1)c1ccc(OC)c(OC)c1	914758863	RMADDFNQFNKXBN-OAHLLOKOSA-N	369.552	4.771	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)c1ccccn1	915841086	OONSMSOSPYIZEV-RAXLEYEMSA-N	355.228	4.947	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	917146243	WUTCIJANRBBOCR-WUXMJOGZSA-N	354.768	4.759	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(CCC)c2C)cc1	920064593	WUIPEUIDYOLBFX-HMMYKYKNSA-N	360.457	4.707	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1O	5155506	SCJSIVXZEJCTMV-NTUHNPAUSA-N	366.804	4.634	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(Br)c2)c(C)c1	6427296	RVIDMTKWVQIXNK-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc2ccccc2o1	11288065	AFTSIPIZBJBRPI-NTEUORMPSA-N	366.804	4.949	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)cc1	96669445	VMLOAJZEJXCKCW-ZROIWOOFSA-N	352.242	4.640	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	102598625	YHMCSFQXDGRESM-PDGQHHTCSA-N	356.381	4.905	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	154644894	GOLOJLORLBJEHV-CVEARBPZSA-N	367.449	4.629	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2nc(-c3ccccc3)c[nH]2)c(C)c1	171909677	XGZSMNLWTIXZAV-WQRHYEAKSA-N	356.429	4.548	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1cc2ccccc2o1	588534599	OTZBPBIQIFUARJ-NVMNQCDNSA-N	371.371	4.607	50	20	FJGD	
C=C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1	731052403	OKOVSXRVQCGONO-ZHZULCJRSA-N	351.494	4.696	50	20	FJGD	
Cc1ccc(OC[C@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1	742434143	ZLPRWUSHJCMTEW-RDJZCZTQSA-N	353.553	4.593	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2cc(Cl)ccc2Cl)c1	744569424	BZVAKTAYWWMMRS-NTUHNPAUSA-N	362.212	4.652	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1	746689881	YIJIVVUZBOEVPQ-ZETCQYMHSA-N	363.166	4.658	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3cccc4cnccc34)s2)c(C)c1	748769800	QPUKPCHBOIUWQM-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
CC(C)C(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)C1CC1	750935281	QKYWQMFDSNBZDG-UHFFFAOYSA-N	361.898	4.803	50	20	FJGD	
CCSc1ccc(CC(=O)NNc2cccc(C(F)(F)F)c2)cc1	752143107	YOZSMRRURBSBBO-UHFFFAOYSA-N	354.397	4.503	50	20	FJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)c1c[nH]c2cc(F)ccc12	759116876	KCTSRXFGXSFENH-MDWZMJQESA-N	359.335	4.784	50	20	FJGD	
O=C(NNc1ncccc1Cl)Nc1cccc(COC2CCCCC2)c1	769984750	XLJPQXXIRRLCBC-UHFFFAOYSA-N	374.872	4.733	50	20	FJGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccc2ccccc2n1	777465221	DZUPCLPLONKIJM-KRWDZBQOSA-N	370.456	4.597	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1OCC(C)C	790231851	YYEZHXXQOCMLQF-LICLKQGHSA-N	359.429	4.737	50	20	FJGD	
COCCCC[C@@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	792285233	ZFYQTTOUXZHOFM-QGZVFWFLSA-N	361.873	4.524	50	20	FJGD	
Cc1c(CC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cnn1C	794413103	FDGQUXWCFURWMH-UHFFFAOYSA-N	355.332	4.567	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)oc12	794883912	DYFBQOAKWHJAIF-ATVHPVEESA-N	354.365	4.779	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/C(C)=C\c1ccccc1C(F)(F)F	799893356	TWIAFRQTDFVBDC-KXIMDHCPSA-N	357.397	4.731	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@@H]1CCCF	800807807	HCJYFCMCVQYLKF-CQSZACIVSA-N	359.470	4.754	50	20	FJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)c1cccc(Cl)c1	810219049	NNNNUAKYGLOSRS-YFHOEESVSA-N	352.640	4.954	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1oc2ccccc2c1CN(C)C	812763790	VSNWZVNUEAWMLP-UHFFFAOYSA-N	365.477	4.683	50	20	FJGD	
CCC[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)C1CCC1	839200917	ZOYHPUOCMJMDHW-JOCHJYFZSA-N	355.462	4.559	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)c3ccccc3F)c(Cl)nc21	873936940	CQTYMAJVECKLOG-NTUHNPAUSA-N	368.799	4.595	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@]12CCNC2	904419179	PKWAKDZESKMSJA-AWEZNQCLSA-N	371.375	4.704	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)cc1	919810920	VRACXBWLGIPDMQ-UHFFFAOYSA-N	366.848	4.984	50	20	FJGD	
COc1ccccc1OCc1nnc(CCCC[C@@H]2CCSS2)o1	1348873912	GHCSECUGPKGJAZ-CYBMUJFWSA-N	366.508	4.524	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	6935946	WYONFUBYKSZBBO-QGOAFFKASA-N	364.445	4.728	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@H](c2ccsc2)O1	156147750	XQEHPFMWQHLCIG-FVQBIDKESA-N	371.593	4.751	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(F)c3)n2)cc1	158845260	QDLMMFURUGOQSA-RIYZIHGNSA-N	352.390	4.728	50	20	FJGD	
Cc1oc(-c2ccccc2)nc1CC(=O)NNc1ccc(C(C)(C)C)cc1	181156617	IUCWKIZGOCUTCT-UHFFFAOYSA-N	363.461	4.633	50	20	FJGD	
CCC(C)(C)NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186187913	MWNFHDBQJKHTOZ-UHFFFAOYSA-N	353.378	4.811	50	20	FJGD	
O=C(NNc1ccccn1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192258061	PPFDUJGOZRJOER-UHFFFAOYSA-N	354.304	4.888	50	20	FJGD	
CC(C)(C)c1cnc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)o1	255519754	KEODPNQIVIERCN-LFIBNONCSA-N	371.487	4.586	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1ccsc1	588449899	IFIYYQLYTHNUTJ-XGICHPGQSA-N	355.312	4.618	50	20	FJGD	
CC(C)(C)c1csc(CCNC(=O)CCCC[C@H]2CCSS2)n1	729440465	KJDDJUYLRQCXJP-ZDUSSCGKSA-N	372.625	4.813	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1cccnc1	732714106	RARBSYTYSCCZKA-SFQUDFHCSA-N	373.387	4.867	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-c2ccc(F)cc2)s1	734554516	BUMOZAIVLUPYPJ-UHFFFAOYSA-N	366.339	4.728	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)c(F)c2)cc1	746701676	VFRGFSAESHVLRC-UHFFFAOYSA-N	374.337	4.975	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1	756784697	XLZQFJNZTMQUKM-GDNBJRDFSA-N	353.328	4.711	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1	756876435	OTKILGNENJFQPH-HNNXBMFYSA-N	366.392	4.517	50	20	FJGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)c3cc(Cl)cc(Cl)c3)ccc21	761200319	PMQZMYYHGCLZBM-PQMHYQBVSA-N	356.212	4.670	50	20	FJGD	
CC(C)OCc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	763612116	DMOXMPFFYULQPY-UHFFFAOYSA-N	353.249	4.675	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)c1cccc2c1OCCO2	771513386	JJLJJSWSXNYMIF-SSZFMOIBSA-N	357.365	4.508	50	20	FJGD	
CC[C@H](C(=O)NNc1cc(Cl)ccc1Cl)c1ccc(OC)cc1	775781384	AZBDSIZXSKXWLK-AWEZNQCLSA-N	353.249	4.639	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)nc1	781533463	CVGWUVODZRXSJY-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)C3CCCC3)o2)c([N+](=O)[O-])c1	781553890	YZFDSNXJMJNAHF-GXDHUFHOSA-N	366.373	4.530	50	20	FJGD	
C=CCCN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	786136718	VHPAVIUUWFKHLR-UHFFFAOYSA-N	351.362	4.541	50	20	FJGD	
CCc1onc(-c2ccccc2Cl)c1C(=O)NNc1c(C)cccc1F	793837982	GICRBDLFSOMTNY-UHFFFAOYSA-N	373.815	4.762	50	20	FJGD	
CCOc1ccc(NNC(=O)c2sc3cc(F)ccc3c2Cl)cc1	817915119	CLEQDPBWZNBSKB-UHFFFAOYSA-N	364.829	4.849	50	20	FJGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCC[C@H]1CCSS1	841465492	GRXLMCHGPOSKGK-WMZOPIPTSA-N	360.548	4.766	50	20	FJGD	
C[C@@]1(CNC(=O)Nc2cc(C(F)F)ccc2Cl)C[C@H]1Br	856848789	KTKBYFRHYFHFJK-MFKMUULPSA-N	367.621	4.573	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1CCc1ccccc1	876962769	WCYHKTCMPXMTSL-UHFFFAOYSA-N	352.384	4.507	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccc(Cl)cc3F)cc2)cn1	1116875184	BLJSEISWTMGXAX-OVCLIPMQSA-N	365.795	4.669	50	20	FJGD	
CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CC)cc2)CCC1	1790484300	KDYFHQOJQFGVLV-WMLDXEAASA-N	364.917	4.574	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnn(-c3ccccc3)c2)cc1	18063727	SKRZBXMPXDCRHT-UOBPLZBXSA-N	370.456	4.931	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(Cl)c1OC	171670602	QMZULSPDDKKGPC-XNTDXEJSSA-N	370.836	4.520	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2Oc2ccccc2C#N)c1	182365495	PFQLYNVKFRQVFN-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2nc3ccccc3cc2C)s1	187577014	XHMLRJWCCNLVPA-UHFFFAOYSA-N	362.458	4.665	50	20	FJGD	
CC(C)c1nc(CCNC(=O)CCCC[C@H]2CCSS2)cs1	726550844	DETBWKXYTOFLCR-AWEZNQCLSA-N	358.598	4.639	50	20	FJGD	
CCSc1ccccc1C(=O)NNC(=S)Nc1ccccc1C(C)C	727172327	YFSYTBJYXCNLPX-UHFFFAOYSA-N	373.547	4.553	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	727975358	DJWYVUORTQQMAR-YCRREMRBSA-N	371.145	4.956	50	20	FJGD	
Cc1ccccc1OCCCNC(=O)CCCC[C@H]1CCSS1	729438983	QJFNACPBILAQMX-INIZCTEOSA-N	353.553	4.594	50	20	FJGD	
Cc1cc(C)c(NNC(=O)C2(c3cccc(Br)c3)CC2)c(C)c1	743764013	HDHSJYNDMRTVJH-UHFFFAOYSA-N	373.294	4.549	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)C1(c2ccc(Cl)c(Cl)c2)CCC1	749540595	SQGQFTCCWPMETM-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
CC(C)(C)O[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccccc1	754083939	BGHSCTBGUKEZHS-INIZCTEOSA-N	366.383	4.705	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncn1	758916406	QPRAJSMKGWKGHW-SFQUDFHCSA-N	367.387	4.533	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)c1c[nH]c2cc(F)ccc12	760212248	VYLNUVRSNOZGIV-WUXMJOGZSA-N	351.406	4.821	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(C)cc(C)c2)cnn1-c1ccc(C)cc1	760462754	HRXQGIGBJOXNQX-UHFFFAOYSA-N	362.477	4.507	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1	761590734	QBMDHMUGIWYGRV-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)CCCC[C@@H]1CCSS1	772566464	YJHZYOWXXHPOCX-QZTJIDSGSA-N	367.580	4.500	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)c1	778392657	ZEPDNQYAJRXXMA-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
CC[C@@H](CC#N)OC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	787089126	BMUORFDGUSQNDN-LVSKKATPSA-N	353.466	4.753	50	20	FJGD	
C=C(CBr)CN1CCc2sccc2[C@@H]1c1cccs1	791442691	SVGCUDGZSKETQL-OAHLLOKOSA-N	354.338	4.708	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ncccc2F)c1C	791805344	BRPHMYIPWKZWNM-UWCCDQBKSA-N	369.440	4.651	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Cl)c2ncccc12	801176547	JSGVSGOFCXJGAQ-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)c1ccc([N+](=O)[O-])cn1	812245186	NRYLDMWFNDSYBG-FLIBITNWSA-N	353.284	4.592	50	20	FJGD	
N#C/C(=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccc([N+](=O)[O-])cn1	812245838	ZAXPXLOKLYMTLQ-UUILKARUSA-N	374.183	4.680	50	20	FJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC[C@H]2C(C)(C)C#N)cc1	814704388	MBUZLYOOLKUIDX-LJQANCHMSA-N	362.477	4.530	50	20	FJGD	
CSc1nc(C(C)C)nc(C)c1C(=O)NNc1ccc(C(C)C)cc1	837055372	DZOLONSYECHPPW-UHFFFAOYSA-N	358.511	4.511	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1csc(C(C)=O)c1	839236601	ULHNUSRDKGWSSX-UHFFFAOYSA-N	358.488	4.901	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccc(F)cc3)cs2)cc1	888423438	SBILSYSFPFVNJD-UHFFFAOYSA-N	355.438	4.830	50	20	FJGD	
COc1cc(NC(=O)NN(c2ccccc2)c2ccccc2)cc(OC)c1	915306157	ATFNFQWIVKLMIG-UHFFFAOYSA-N	363.417	4.579	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)oc12	915842809	VGKZZGDSKJBEBQ-JLHYYAGUSA-N	352.777	4.640	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)c1	915984941	CYZMZOYKKIIBKW-QPEQYQDCSA-N	363.747	4.740	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CCC)CC(F)(F)F)c1C	918608664	IXLOMYHJQMLEHH-GZTJUZNOSA-N	369.431	4.613	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1OC	7212267	NDMIGVKYKDACKJ-GZTJUZNOSA-N	361.401	4.517	50	20	FJGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	44027372	MREPDWXNPRYCMY-MLPAPPSSSA-N	352.825	4.563	50	20	FJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)ccc2c1	97990510	SWGLCYPILKREMI-JHDSZEHQSA-N	356.425	4.633	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NN(C)c1ccccc1	139865431	DDNVHRFOROOYLP-HNNXBMFYSA-N	366.490	4.530	50	20	FJGD	
CCc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc(=O)[nH]1	183985073	SAPOIJFDALPKDH-UHFFFAOYSA-N	368.327	4.847	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@H]1c1cccc(Cl)c1	729515070	VAKNSMFNPSMLKQ-JKSUJKDBSA-N	372.255	4.788	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	731835698	MZICSXAQFPJBGR-WJDWOHSUSA-N	353.381	4.921	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	732266019	BGIFRICJLNHFPP-IBGZPJMESA-N	352.434	4.802	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c(OC(F)F)c1	734094671	FJKVYSCUBAMIQZ-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	747034253	XOFKEYJPDMSHBN-LCYFTJDESA-N	361.228	4.856	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cnn(-c3ccccc3)c2)cc1	747123623	JKHSSJUYWHIWJU-UYRXBGFRSA-N	355.441	4.960	50	20	FJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(Cl)cc1	749276570	WZCDVJVACYCRIP-UHFFFAOYSA-N	358.850	4.834	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C#N)CC(C)C)c(C)n1C1CCCCC1	768139665	GIVNYAVHBJNTEO-QDDTUJKSSA-N	366.509	4.572	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc3cnccc3c2)n1	779797985	HSFJDCIKLGQTRY-SXGWCWSVSA-N	362.458	4.534	50	20	FJGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc(Cl)c(OC)c1	790174246	GPBDMVBERIUCPZ-BRADTZPFSA-N	374.868	4.682	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ccccc2)c1C(C)C	799759190	JOUGDKLCQCODHN-UHFFFAOYSA-N	362.477	4.623	50	20	FJGD	
O=C(/C=C/c1cccc(CCl)c1)c1cc(Br)ncc1F	799891323	CNHWYSBSYQOISW-SNAWJCMRSA-N	354.606	4.618	50	20	FJGD	
C[C@@H]1C[C@H](CO)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	817313736	UEQLGHOJMKQDBD-MNOVXSKESA-N	374.375	4.826	50	20	FJGD	
CCOc1ccc(NNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1	836389211	ZOMYMMWQOQWZQZ-AWEZNQCLSA-N	370.478	4.628	50	20	FJGD	
N#C/C=C(/c1ccc(Br)c(Cl)c1)N1CCC[C@H](CC#N)C1	852320426	KPEIBCXSMCSJME-SRWYSLEYSA-N	364.674	4.593	50	20	FJGD	
Cc1ccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)s1	916285160	VTOIROFTYVAFNL-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1ccc(Br)s1	916354892	QCQJSCDFYIHSKG-QWRGUYRKSA-N	355.301	4.587	50	20	FJGD	
CC(CC[C@H]1[C@H](C)CCCC1(C)C)=NNC(=O)c1cccc(C(=O)O)c1	1776096221	QMDDJHGFCMMCDA-KDOFPFPSSA-N	358.482	4.733	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)c1nc(-c2ccncc2)cs1	132612219	VMLZWTOQLVOIAR-DHDCSXOGSA-N	369.396	4.913	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1ccccc1C(F)(F)F	179175823	NWTHMLCAPGCOCM-VZUCSPMQSA-N	352.262	4.529	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1OC(C)C	211544409	RRMGJKBERCFIPS-PDGQHHTCSA-N	364.445	4.645	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c(SC)cc1OC	741165925	SYUQYMJVAIALJS-MFOYZWKCSA-N	367.470	4.832	50	20	FJGD	
COc1cccc([C@H](C)CC(=O)NNc2ccnc3cc(Cl)ccc23)c1	753328511	CDQRZHNASODTCU-CYBMUJFWSA-N	369.852	4.534	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)nc2)cc1	758417271	UXGLQQMBOZYCSF-HDAKKWKLSA-N	374.488	4.741	50	20	FJGD	
Cc1ccc(SCC(=O)NN=Cc2csc(Cl)c2Cl)cc1	761767739	SXBOYZVYNAXADQ-UHFFFAOYSA-N	359.303	4.606	50	20	FJGD	
CCc1nc2ccccc2c(C(=O)NNc2c(F)cccc2Cl)c1C	770198316	VJSLGNPOYCGZEE-UHFFFAOYSA-N	357.816	4.655	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772178382	DXWONYIKGHYOSC-OMCISZLKSA-N	369.367	4.718	50	20	FJGD	
C=CCC[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	772624569	KVFNTYAFSUKDBF-QGZVFWFLSA-N	361.392	4.622	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1OC	773143742	FBGOAQYKQWTZDL-VGOFMYFVSA-N	359.784	4.595	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1CCO[C@H](CC)C1	781600762	LMQWMBLQOHHWOZ-RHSMWYFYSA-N	360.523	4.918	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)ccc1OCC#N	788327643	KOKZIDZVMDJRFM-MHWRWJLKSA-N	374.421	4.602	50	20	FJGD	
COc1cc(NNC(=O)Nc2cc(SC)ccc2C)ccc1Cl	788656668	APERIFJOSJAKDK-UHFFFAOYSA-N	351.859	4.528	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2c(Cl)cccc2Cl)c1C	792478426	MUMVYNIZCVUDIU-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)ccc1OC(F)F	799759743	VPKKPPKHLHSWDM-UHFFFAOYSA-N	354.784	4.569	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(-c2ccnn2C)c1	801647714	IEURVVWURFVVHM-AQTBWJFISA-N	367.412	4.510	50	20	FJGD	
N#C/C(=C/c1cc(Br)cc(C(F)(F)F)c1)C(=O)c1ccoc1	806557587	DXANPBSOSNDZFE-JYOAFUTRSA-N	370.124	4.851	50	20	FJGD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC[C@H]1CCSS1	849209111	ZWATXHRBEPQRNG-SFHVURJKSA-N	366.596	4.815	50	20	FJGD	
C[C@]1(CN[C@H](c2cccnc2)c2cc3ccccc3o2)C[C@@H]1Br	857081590	HBAUUWZQHPYEQC-IPMKNSEASA-N	371.278	4.680	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1C[C@H]2CC[C@@H](O)[C@H]2C1	887979837	RCUHSKHNCWYSHO-JIMOISOXSA-N	372.359	4.579	50	20	FJGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)CCCC[C@@H]1CCSS1)CCC2	1342045888	CDECYORHZOWSHS-HZPDHXFCSA-N	367.584	4.672	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	59269712	LAGIKMLZTUDFFO-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)c1nc(-c2ccncc2)cs1	109707744	LUOCJWVOTMQVMW-YBEGLDIGSA-N	356.410	4.924	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(OC)c(F)c1	175633178	BGSJUAGLPVLMED-UHFFFAOYSA-N	372.465	4.713	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)c1C	212667904	LDGMZZNKVLIAQB-WJDWOHSUSA-N	364.474	4.670	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730149548	BEQXYMKYAQPYRO-KPKJPENVSA-N	369.377	4.806	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	730545409	DCFWRLHLVIBIJE-UHFFFAOYSA-N	350.462	4.662	50	20	FJGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F	731956209	ULBJVQUAVXBCRK-HNNXBMFYSA-N	354.397	4.719	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)noc2C)c1C	748637067	SPLASQQPBMAVGJ-ODLFYWEKSA-N	374.444	4.553	50	20	FJGD	
CN(Cc1cccc(C(F)(F)F)c1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750037750	BEYBDZDLQHJOAP-RQZCQDPDSA-N	361.323	4.610	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1)C1CCCCC1	772797883	QTQNZCUITZVKJN-NTUHNPAUSA-N	354.347	4.543	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)cnn1C1CCCCC1	781356099	JPYKFCAYYZZTEO-UHFFFAOYSA-N	354.498	4.751	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c(Br)c1	794691874	QPDJFRKFDQYESD-OQLLNIDSSA-N	356.219	4.556	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccc(Br)cc3)csc2c1	794922900	JDRQEVUWXOLZKB-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)s1)C(=O)C1CCOCC1	794958930	PPJPQIIFDPNXOG-PTNGSMBKSA-N	357.862	4.971	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)c(C)cc2Br)c1	804467794	HWLVSBCFWKKEQB-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1OC	812249139	WXOBPPGDVRYUSA-NTEUORMPSA-N	362.351	4.962	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cc(Cl)ccc1Cl	815854296	WTVJCSNJMZUJBG-UHFFFAOYSA-N	352.265	4.831	50	20	FJGD	
CCOc1ccc(NNC(=O)c2occc2CSc2ccccc2)cc1	817904713	NEMYJVIBUGIFNR-UHFFFAOYSA-N	368.458	4.728	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Br)oc1C	819539486	ZGAIOSPNHZQTDI-UHFFFAOYSA-N	351.244	4.539	50	20	FJGD	
CCc1ncc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	840909081	OJEYLBYYXNZCEF-AWEZNQCLSA-N	361.820	4.870	50	20	FJGD	
CC(C)=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	864095572	QYJVCEWOPINVIF-UHFFFAOYSA-N	355.488	4.714	50	20	FJGD	
Cc1cccc(OC[C@H](C)NC(=O)CCCC[C@@H]2CCSS2)c1	919696959	ZNOTZGBUMHONLD-DOTOQJQBSA-N	353.553	4.593	50	20	FJGD	
O=C(NN=C1CCC[C@H](C2CCCCC2)C1)Nc1ccc(C(=O)O)cc1	1776046714	DCVCKGMZQNWLLQ-INIZCTEOSA-N	357.454	4.633	50	20	FJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)s1	2749337	VXMHCHKEMNYSRW-FLIBITNWSA-N	350.365	4.875	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1cc(Cl)ccc1Cl	6209685	CGHKNSPPYMFKTD-RMKNXTFCSA-N	353.155	4.817	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCCCC#N)c2)c(C)c1	102598515	VSFJKFRTNZBANR-MOSHPQCFSA-N	373.456	4.840	50	20	FJGD	
Cc1c(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cnn1C	192257893	IAHBYWGESHKXRJ-UHFFFAOYSA-N	370.347	4.708	50	20	FJGD	
CCCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	205963113	BFOVGIDPVCZKIN-RGEXLXHISA-N	365.477	4.849	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccc(C(=O)O)c3Cl)c[nH]c2c1	588559851	PNDXUWPHDQVEJS-JYRVWZFOSA-N	364.788	4.618	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nn1)c1nc2cc(Cl)ccc2s1	727743483	AWTQOAMLPVPBML-WQLSENKSSA-N	363.833	4.595	50	20	FJGD	
Cc1ncsc1COC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	727771223	FZHSBLGMNQIEFE-NVMNQCDNSA-N	371.506	4.566	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1	728786193	UMKRGFVJHXILQU-WQRHYEAKSA-N	356.429	4.548	50	20	FJGD	
O=C(CCCSc1ccc(Cl)cc1)NNc1cc(F)c(F)cc1F	734553668	WVGFCRWSCHHJEX-UHFFFAOYSA-N	374.815	4.773	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)sc2cccc(F)c12	746697468	VZMHYXPJEIUZEG-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	747033004	BNBOOKFLUKUOLW-NTEUORMPSA-N	352.340	4.868	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OC	749453640	URUTVHPTESELRT-VQCBNXJZSA-N	368.408	4.557	50	20	FJGD	
CC(C)(C)n1ncc(C(=O)NNc2cccc(Cl)c2)c1-c1ccccc1	754174046	MFBREWCNTQLORH-UHFFFAOYSA-N	368.868	4.715	50	20	FJGD	
Cc1ccccc1-c1nc(C(=O)NNc2c(F)cccc2Cl)cs1	770203494	MZZFNBJMCZBURZ-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
C[C@@H](CBr)COC(=O)c1csc(-c2cccc(Cl)c2)n1	770331009	RIAJHCKOYYRLRB-VIFPVBQESA-N	374.687	4.651	50	20	FJGD	
CC(C)OC(=O)/C(C#N)=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	771840322	JTEIBFNCNBYGFQ-KMKOMSMNSA-N	351.246	4.583	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(F)c(C#N)c1	790182786	JNEKWJMJTVHNLB-UHFFFAOYSA-N	353.422	4.648	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(Cl)cc2-n2cncn2)n1	794941804	YTFRTZGTIQEGAK-WLRTZDKTSA-N	355.854	4.565	50	20	FJGD	
CCc1oc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1C(=O)OC	800791212	INWNDXVFSVWMSY-NTEUORMPSA-N	364.426	4.816	50	20	FJGD	
N#C/C(=C/c1cscc1Br)c1cc(C(F)(F)F)ccn1	812246568	OKGKUBPVKJVYQC-BAQGIRSFSA-N	359.170	4.989	50	20	FJGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1cnc2n1CCC2	850203641	GXHNPYHZBHCSJW-AWEZNQCLSA-N	361.820	4.661	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cnc3ccccc3c2C(F)(F)F)c1	879684341	WGJHIOWQFVGCMM-UHFFFAOYSA-N	359.351	4.627	50	20	FJGD	
O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(CCCl)cc1	36900448	QKOZFQXMJNZYHF-UHFFFAOYSA-N	364.681	4.576	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1	126674268	AGENGARCQOLIJM-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccncc3Cl)c(F)c2)cc1	154482768	OYNJEGCMRADMQM-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(COC)c1	175635276	NREMRKPLMJRJMB-UHFFFAOYSA-N	354.475	4.783	50	20	FJGD	
CC(C)CCCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183452522	NZJVHUXULNLCBM-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
COCc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)c1	255120424	PSBPQNDUNHNMPE-ZSOIEALJSA-N	373.206	4.568	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl	727263958	LCUKPCCHTVKAGA-GZTJUZNOSA-N	373.861	4.552	50	20	FJGD	
Cc1cc(C=NNC(=O)c2cccc3ncccc23)c(C)n1C1CCCCC1	730147000	KNWAMAGXORBZDD-UHFFFAOYSA-N	374.488	4.922	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)c1	748419795	MKRCTICMCXQITJ-UHFFFAOYSA-N	350.384	4.743	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1cc(C2CC2)nc2ccc(Cl)cc12	751393133	WDEDITWVANWQSZ-UHFFFAOYSA-N	373.790	4.801	50	20	FJGD	
O=C(NOC1CCOCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752977155	YOGRPVOMXNZRJD-UHFFFAOYSA-N	362.320	4.576	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cc(Cl)cc2c1OCC2	754546245	ROIYLRCNTWBLIE-OAHLLOKOSA-N	371.955	4.605	50	20	FJGD	
COC[C@H](C)CC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	755149059	KAPWACGIMHWQMW-RNCFNFMXSA-N	355.809	4.517	50	20	FJGD	
O=P(CCN1CCCC12CCCCC2)(c1ccccc1)c1ccccc1	759387710	RAABOIYCJUWGLF-UHFFFAOYSA-N	367.473	4.799	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(Oc2ccccn2)cc1	770031360	YCTUAYMLKRVVLZ-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)Nc1ccc(Cl)cc1Cl	772806236	LRPZCUKXLAROLZ-SDQBBNPISA-N	360.175	4.550	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)ncn1	773174430	VNZBGDSWIXAOOG-VGOFMYFVSA-N	350.472	4.695	50	20	FJGD	
Cc1cc(C)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C=O	792775823	MSBNCCICSQGFGH-UHFFFAOYSA-N	371.651	4.833	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1O	797399268	QQUMWLDEIHIGRZ-DHDCSXOGSA-N	354.475	4.947	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1C[C@H](c2ccccc2F)C1	798022371	KAERDDOFOFTIQF-RBSFLKMASA-N	353.528	4.902	50	20	FJGD	
COCc1ccc([C@@H]2CCCN2Cc2ccc(OCCCCl)cc2)o1	798185563	GPAFJJFHQCMFHC-IBGZPJMESA-N	363.885	4.771	50	20	FJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2c(C)cccc2CC)c1C	799391420	RUSACWQFWRCEOT-UHFFFAOYSA-N	368.481	4.753	50	20	FJGD	
CON(C(=O)CCCC[C@@H]1CCSS1)[C@@H](C)c1csc(C)n1	833750457	PJPSQXYQTFNKDG-WCQYABFASA-N	360.570	4.617	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2F)c1C	857829920	DEGKJHQDVJCLPY-PDGQHHTCSA-N	353.441	4.898	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)cc1	915844842	SURGYADJXFJIPU-MOSHPQCFSA-N	373.456	4.854	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1OCC	916129747	YNDWIZNDTKACJU-ATVHPVEESA-N	353.418	4.956	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3ccc4ccccc4n3)c(Cl)nc12	916242799	DUMSMSVMFNLULN-UHFFFAOYSA-N	374.831	4.509	50	20	FJGD	
CC(C)CO[C@@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	917630704	DAMHGWNFTFLMTP-HZMBPMFUSA-N	369.836	4.906	50	20	FJGD	
O=C(NC1CC(N2CCCC2)C1)c1ccc(S(F)(F)(F)(F)F)cc1	1549932089	BSFCSZDMYBLXDZ-UHFFFAOYSA-N	370.387	4.701	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1OC(C)C	11297571	VZLYYJFOSOBBLZ-MHWRWJLKSA-N	355.821	4.926	50	20	FJGD	
CCSc1nc(Cl)c2cnn(C[C@H](Cl)c3ccccc3)c2n1	98178087	RULJKRRCJRXLGJ-LBPRGKRZSA-N	353.278	4.572	50	20	FJGD	
Cc1cccc([C@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)n1	167027248	AKMRBAYYUSTXNU-NVXWUHKLSA-N	350.553	4.768	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2ccc3ccccc3n2)c2ccccc2n1	181112265	IFZDVKAIPITHCJ-UHFFFAOYSA-N	356.429	4.663	50	20	FJGD	
CC(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183593508	BYOZFESZSQASJI-SNVBAGLBSA-N	374.375	4.833	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccnc2ccccc12	215741316	BJEOJZHBSOCLOP-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1nc2cc(F)ccc2s1	730151108	RDXWKEVLEGQCTL-BJMVGYQFSA-N	354.797	4.801	50	20	FJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	731488371	FGKGGYWZDFDELL-FAJIVVBTSA-N	368.811	4.543	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1	732266043	FFWOIZZDQNIMJY-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
CCSc1ccccc1C(=O)NNc1ccc(Br)c(C)c1	734255044	XKGSCRDQIVPXAD-UHFFFAOYSA-N	365.296	4.626	50	20	FJGD	
Cc1sc(CNC(=O)NNc2ccccc2)nc1-c1ccc(Cl)cc1	734270460	VTMDVJPXKGRVRI-UHFFFAOYSA-N	372.881	4.598	50	20	FJGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NNc3ccccc3)s2)cc1	734275916	RTVXBZZKTGSSNZ-OAHLLOKOSA-N	366.490	4.814	50	20	FJGD	
CC(C)c1cccc(NC(=S)NNC(=O)c2cccc3ccccc23)c1	741494229	PLHSIKHYXVJDMX-UHFFFAOYSA-N	363.486	4.595	50	20	FJGD	
CO[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)c1cccc(Cl)c1	742865381	NTNQQNLNLIWDCB-CVEARBPZSA-N	373.971	4.858	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(C)c(C)s2)c1C	744255180	ZSHLSLZFPXGJGB-VCHYOVAHSA-N	371.506	4.629	50	20	FJGD	
Cc1noc([C@@H](C)NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	752973770	PBJQKKSZTIJZEW-SSDOTTSWSA-N	372.319	4.918	50	20	FJGD	
COC[C@@H](C)CC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	755149062	KAPWACGIMHWQMW-ZANVPECISA-N	355.809	4.517	50	20	FJGD	
CC(=O)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	764450961	CODNKHIPRXNMFV-UHFFFAOYSA-N	357.624	4.606	50	20	FJGD	
Cc1ccccc1-c1cnc(COC(=O)[C@@H](Br)C(C)(C)C)o1	766750573	INGZRSHCQANJPZ-OAHLLOKOSA-N	366.255	4.503	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(Cl)c(F)c1	767396014	MQOAIUKFVVGZOR-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)c1ccc(Cl)cc1Cl	768482571	LEEWPJQWBOQENH-UHFFFAOYSA-N	370.239	4.819	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc2c(ccc3ccccc32)[nH]1	771669130	FZFFGPDEFPECIT-UHFFFAOYSA-N	353.784	4.871	50	20	FJGD	
Cc1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(Cl)c1Cl	780803901	RGYMFNKOTKCGBW-UHFFFAOYSA-N	352.265	4.751	50	20	FJGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)c1C	788329440	WCIAHXXFIBIVJE-WOJGMQOQSA-N	364.470	4.756	50	20	FJGD	
Cc1cc(Br)c(C(=O)NNc2ccc(F)cc2C)cc1Cl	804467410	ATHTZJVHXOSGBQ-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@]2(CCNC2)C1	841190867	UFQIIDKOGXKMAP-CQSZACIVSA-N	371.375	4.561	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1CO	856856996	PPQUAROPQAGEGS-GHMZBOCLSA-N	374.375	4.826	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1c(Cl)cccc1Cl	916345700	BASGCEYJODATRS-UHFFFAOYSA-N	371.264	4.765	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-n2cnc3ccccc32)cc1	917602699	ZBSBNXIWBDSANL-ATVHPVEESA-N	353.381	4.717	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCc1cccs1	127369917	YXHWYWZVUBYQEG-GDNBJRDFSA-N	355.459	4.858	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1cc(F)c(F)cc1F	127836420	HWUTUXFLFUDYCB-UHFFFAOYSA-N	360.788	4.626	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	212130398	KIHMIJRCFFXFBQ-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl	727781110	DZTHZDKUIUDUNV-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
COCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1	730464363	QJWFQLSDMSAHKA-XDJHFCHBSA-N	363.457	4.799	50	20	FJGD	
CC(C)Nc1ncccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	735874231	WVNYPSXBJDGCOD-UHFFFAOYSA-N	373.671	4.619	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)c2nc(C)cs2)c1C	739588578	YVJBLRIHMPDEKD-WQRHYEAKSA-N	370.522	4.630	50	20	FJGD	
CC(C)c1c(C(=O)NNc2ccc(Cl)c(F)c2)cnn1-c1ccccc1	746695589	MELFCHPODSWSGZ-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(Cl)cc1	749271041	PROKHFQCKSTGQR-UHFFFAOYSA-N	370.758	4.681	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(Cl)oc3ccccc23)c1	761182922	VMBNDYKWBWFCIA-XFXZXTDPSA-N	352.777	4.640	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	777912866	ZDRMFHROIDKWPD-ATVHPVEESA-N	350.374	4.614	50	20	FJGD	
C=CC[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccccc1	779025533	XKHSKQXYDXNPFF-AWEZNQCLSA-N	352.331	4.648	50	20	FJGD	
N#CC1=CCN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CC1	780688626	NRVJVQUQRFUMSG-LJQANCHMSA-N	368.889	4.856	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)cc1	787150811	GEUONNJQIIPAPD-UYPHOHSBSA-N	372.424	4.740	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(C)c1)c1ccccc1	787180880	YIMLFXMXPOWCMM-YMFQVDJJSA-N	370.456	4.560	50	20	FJGD	
C[C@@H](CC(=O)NNc1cccc(Br)c1)c1c[nH]c2ccccc12	787458086	JVJRSVVJUIKDNG-LBPRGKRZSA-N	372.266	4.567	50	20	FJGD	
COc1cc(NNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)ccc1Cl	790178338	ZSJDCJLYFQFQSJ-VIFPVBQESA-N	373.667	4.902	50	20	FJGD	
N#CC[C@@H](CC(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccccc1	793756060	HUAFPDHICTWARK-LBPRGKRZSA-N	366.223	4.663	50	20	FJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1nc2ccccc2cc1C	793781433	YFXRNKHTDNLBEQ-UHFFFAOYSA-N	372.428	4.518	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794703541	VOTGWCICQIRVSZ-GRRFOWRYSA-N	361.367	4.803	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	806565506	MVUVDZGADJNXGA-WMZJFQQLSA-N	373.256	4.598	50	20	FJGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	807959683	XUNGHXFHZRTQPT-CYBMUJFWSA-N	373.522	4.938	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)ccc1OC(=O)CC	840716491	JIBINSUEXLPTRE-XNTDXEJSSA-N	369.442	4.561	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)cc1	915853763	VSHPFTLKNLUWQZ-YBEGLDIGSA-N	354.793	4.991	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccccc3)s2)cc1Cl	1116553006	IJFIWCYLNFTQKP-UHFFFAOYSA-N	353.834	4.697	50	20	FJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)c1nc(N)c2ccccc2n1	1318578311	SUVUENYUVXCSNI-BENRWUELSA-N	374.350	4.814	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]c2c(CC)cccc12	8484464	GXWLLNVBZCFKMW-VBKFSLOCSA-N	359.429	4.675	50	20	FJGD	
C[C@@H](OCC1CC1)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	68377956	RSNGDRDBEHCLTB-YMTOWFKASA-N	367.820	4.660	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3ccc(C)s3)cs2)c1	170933547	LKJBVFXWCNIERZ-RIYZIHGNSA-N	366.467	4.979	50	20	FJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1Sc1ccccc1	172924341	BJBBVMPZPWDZLL-UHFFFAOYSA-N	365.414	4.503	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	175625701	YFXKYYBYBOSVTJ-UHFFFAOYSA-N	369.446	4.854	50	20	FJGD	
CC(C)(O)C1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	286960706	BZTYZDJGSXOZGV-UHFFFAOYSA-N	360.348	4.579	50	20	FJGD	
COc1ccccc1-c1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	588606177	IBYQUBADRJJDOY-QGOAFFKASA-N	370.408	4.613	50	20	FJGD	
CS[C@@H]1CCC[C@H](NC(=O)NN(Cc2ccccc2)c2ccccc2)C1	735383490	MJKWXQOCXOKZGM-AZUAARDMSA-N	369.534	4.582	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccncc2)c(C)n1CCC(C)C	735967609	HAHOKINLIGQBNG-PKIWBCANSA-N	365.477	4.757	50	20	FJGD	
CCCCC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743521978	UMZAEAUVKPEYKM-MRXNPFEDSA-N	368.481	4.658	50	20	FJGD	
CC(C)c1ccc2cc(C(=O)NNc3ccc(OC(F)F)cc3)[nH]c2c1	748644903	YYBSEVLITCXVAM-UHFFFAOYSA-N	359.376	4.650	50	20	FJGD	
CC(C)(C(=O)NNc1cccc2cnccc12)c1ccc2ccccc2c1	748773300	JPYANMPFLBUHFN-UHFFFAOYSA-N	355.441	4.809	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3Cl)nc2)cc1	749194324	WOONPHMMAUBDMA-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
CCc1c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cnn1C	762518003	LRFUZMSHGRMQRD-UHFFFAOYSA-N	355.332	4.892	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccccc1OC(F)(F)F)c1ccc(F)cc1F	779204802	YYCUSOKVDPHAHT-JTQLQIEISA-N	374.309	4.500	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)cs2)cc1	782199873	JWVKFTPFOXBWDJ-ZBQKXELDSA-N	354.431	4.505	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1)c1ccccc1	787177932	JKNNKYOMJCQRNL-ZPBCLNFZSA-N	357.413	4.516	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1C(F)(F)F)c1ccccn1	794867404	YEIQGMMJCQGNHK-XFFZJAGNSA-N	353.141	4.927	50	20	FJGD	
CC1(C)Cc2cc(C(=O)NNc3cccc(F)n3)sc2-c2ccccc21	804769570	OECMKDZZOUNDLQ-UHFFFAOYSA-N	367.449	4.540	50	20	FJGD	
CC[C@@H](NC[C@H](CBr)C1CC1)c1nc(C(F)(F)F)cs1	859247992	HIICEIFKTNYCBF-VHSXEESVSA-N	371.266	4.624	50	20	FJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(F)cccc1Cl	916336925	SWVNDNUGCDRBDX-ZDUSSCGKSA-N	370.811	4.550	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1	916657444	KQAZZGGNQZAUJI-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccccc1C(F)(F)F	916998872	YSXMIVOKPADBCK-SNVBAGLBSA-N	374.815	4.983	50	20	FJGD	
O=C(COC1CCCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918563827	XTTJQTPJKKDEDZ-CQSZACIVSA-N	367.820	4.804	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccc(F)cc1F	1318462646	SGWOJYZQMJPNCV-UHFFFAOYSA-N	357.360	4.500	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	16439516	JGTXPVKVHCHHKG-UXBLZVDNSA-N	353.155	4.817	50	20	FJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)CC(C)(C)C)cs1	125408822	UDAXJEGJWPQYSV-GDNBJRDFSA-N	367.474	4.740	50	20	FJGD	
COC(=O)c1ccccc1-c1ccccc1C(=O)NNc1cc(C)ccc1C	192813832	ZNOXJFSCIFDHLW-UHFFFAOYSA-N	374.440	4.514	50	20	FJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)c1cc(Cl)cc(Cl)c1	195271045	HMBPNHUMNKDKAV-BCTAIJSYSA-N	353.186	4.753	50	20	FJGD	
C[C@H](Sc1ccc(F)cc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	214904592	NPVCGLUVHGOXRX-ORHXRLAQSA-N	374.437	4.967	50	20	FJGD	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc3cc(C)c(C)cc3o2)cc1	255503091	YFUATIVHPGJXSI-GZTJUZNOSA-N	373.412	4.554	50	20	FJGD	
CC(C)(C)n1cc(C=NNC(=O)C2CCCC2)c(-c2ccccc2Cl)n1	731151919	RUNUMQLNBKKEOM-UHFFFAOYSA-N	372.900	4.599	50	20	FJGD	
O=C(C[C@@H]1OCCc2ccccc21)NN(c1ccccc1)c1ccccc1	734312589	KFBHUPWUUZSLJK-QFIPXVFZSA-N	358.441	4.560	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(Br)cc1C(F)(F)F)C(C)(C)C	734437881	MKRFRKGLWVDOOF-MRVPVSSYSA-N	367.209	4.593	50	20	FJGD	
O=C(NNc1ccccc1)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2	735687450	HIDMLWWDAHFXDX-XGHQBKJUSA-N	354.881	4.832	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1	741470583	RVXWVZKGBJPRRZ-RFRKOGIWSA-N	351.402	4.645	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(Cl)c2)c1C	741471535	OCDUTMBSRRBNRK-YBEGLDIGSA-N	356.853	4.967	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1csc(-c2ccc(Cl)cc2)n1	746022181	CNZYGDFMYKVTIN-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)[C@H](C)c1ccccc1	746369243	PLOCJJWJDSSLGV-HNNXBMFYSA-N	363.486	4.648	50	20	FJGD	
N#C[C@]1(F)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752991308	UHLFMVLPUQDNOO-GFCCVEGCSA-N	359.295	4.813	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cs2)cc1Cl	779754141	ZXTOGQHTRWALTD-WTKPLQERSA-N	353.230	4.609	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc([N+](=O)[O-])cc3Cl)c[nH]c2c1	783688804	QDYKCGCRJWEPTL-QPEQYQDCSA-N	365.776	4.828	50	20	FJGD	
O=C(NOCCC1CC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	814539826	IEHVGWATMNPMEP-GFCCVEGCSA-N	368.808	4.759	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(-c3ccccn3)ccc2Cl)cc1	817896025	MLZKXOCGNXIYJB-UHFFFAOYSA-N	367.836	4.558	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)c3nc(C4CC4)cs3)c2C)no1	843266770	ZIGYWIXIPFYGGY-LZYBPNLTSA-N	350.447	4.789	50	20	FJGD	
CC1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC=CC1	848468211	OPMCMNUABGEGSR-UHFFFAOYSA-N	363.373	4.731	50	20	FJGD	
O=C(NN=C[C@H]1CC=CCC1)c1cccc(NN=C[C@H]2CC=CCC2)c1	915904446	XOHBIMOQPQKOLM-ROUUACIJSA-N	350.466	4.513	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	918749146	MPSBAQVNHMPBLF-POHAHGRESA-N	363.248	4.560	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)c1ccc(F)cc1	1318306223	JNWBFIYFHGOBNY-WJDWOHSUSA-N	361.328	4.574	50	20	FJGD	
COc1cccc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	31817430	AOVXQTHQHPQCMI-OGAOFSLMSA-N	368.483	4.698	50	20	FJGD	
CCOc1ccc(C#N)cc1NC(=O)CCCC[C@@H]1CCSS1	56476811	ZUBGGXKVTVGOLS-CQSZACIVSA-N	350.509	4.610	50	20	FJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)c1nc(-c2ccc(C#N)cc2)cs1	63279201	YDDLZCDYQDMDTN-LHHJGKSTSA-N	364.411	4.716	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(OCc2ccc(F)cc2)CC1	255086396	CEHLHSAADGWOBT-NKVSQWTQSA-N	354.400	4.510	50	20	FJGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NNc1cc(F)c(F)cc1F	734555297	YPLBIGXMPJUNGI-QGZVFWFLSA-N	368.424	4.505	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1csc(C)n1	741765590	HRLDATZNNZHXOQ-UHFFFAOYSA-N	350.447	4.664	50	20	FJGD	
COC(=O)c1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c[nH]1	753133895	SBGXGJHCGVXBFA-MLPAPPSSSA-N	369.833	4.642	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Br)c(Br)c1	757527638	SAVQJMMNSFRBST-ISAHRAOESA-N	371.072	4.734	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)nc2)cc1	758416411	RAZPUXPVASHXBH-HKWRFOASSA-N	374.488	4.570	50	20	FJGD	
O=C(NNc1ccccn1)c1ccc(Sc2ccc(Cl)cc2)cc1	777468913	AMJWRIKIEHWYOP-UHFFFAOYSA-N	355.850	4.643	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c2c(C(C)C)noc2n1	780805963	MNFFBTSIPGHZNU-UHFFFAOYSA-N	366.465	4.709	50	20	FJGD	
C[C@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)CCCCCl)c2)C1	788058866	BGMOZZAMYWWKKU-YJBOKZPZSA-N	373.946	4.543	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F	808247840	RSMVNYZUXNXESL-POHAHGRESA-N	360.590	4.548	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	811692907	DTGVDODXVQUTLR-SDQBBNPISA-N	362.257	4.645	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(-c2ccc(F)cc2)c1C	812761885	FQPUTMAQWHTHAO-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1ccccc1SCC=C(C)C	816337233	LVWZKOUWANRRMU-UHFFFAOYSA-N	360.454	4.650	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccn(Cc2ccccc2)n1	918125073	KJHPCPKRXGWKAW-INIZCTEOSA-N	361.536	4.584	50	20	FJGD	
CC(CCc1ccc(C)cc1)=NNC(=O)c1ccc(Br)s1	920368058	SSXUWFFTDNJRPO-UHFFFAOYSA-N	365.296	4.558	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3ncccn3)o2)c(C)n1C1CCCCC1	1118141408	ADVXFBIGCLFWPI-SFQUDFHCSA-N	374.448	4.514	50	20	FJGD	
Cc1ccc(NNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)cc1Cl	1343182950	ZZYLICZGUBOOKO-UHFFFAOYSA-N	366.808	4.542	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1OC	72031081	WGWKDPHOPHZMND-YBEGLDIGSA-N	363.442	4.677	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1ccc(SC(F)F)cc1	98008570	ZFESMBCQEXXHNW-XFFZJAGNSA-N	366.339	4.825	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CSCc1cccnc1	175629274	ZVQNJSVXMBWTJZ-UHFFFAOYSA-N	371.531	4.651	50	20	FJGD	
COc1sc(/C=C(\C#N)C(=O)c2sccc2C)cc1Br	178982158	MTLBSCNIFZBMGR-WEVVVXLNSA-N	368.277	4.679	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C(C)(C)C)n1	180257676	AJZQQIZCZIMBRV-CXUHLZMHSA-N	373.485	4.777	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(OC)cc1	729274058	MHWMVUSQDWLCMZ-UHFFFAOYSA-N	368.458	4.579	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccccc3OCc3ccccn3)[nH]c12	735619117	ICEWKVZMSMUQRA-AQTBWJFISA-N	366.424	4.910	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)[nH]c12	735669441	OQXZNRYAFQBNFQ-NTCAYCPXSA-N	369.384	4.634	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2nc(-c3ccccc3C)no2)cc1	746060770	YSTIZUAQAANFHT-YAJBTMAUSA-N	373.412	4.565	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(c3ccccc3)CCC2)c1C	766375143	HDCDUVQLMZLIMW-HMMYKYKNSA-N	361.489	4.618	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2cnn(-c3ccc(Cl)cc3)c2)ccc1[N+](=O)[O-]	774558000	HORLLCKFRZXVED-SXGWCWSVSA-N	364.792	4.807	50	20	FJGD	
O=C(NNc1ccccn1)Nc1ccc(Oc2ccccc2Cl)cc1	779013186	XXDWHYOSZFVUHF-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl	782304398	AQVWYVCYHNDXSS-BJMVGYQFSA-N	364.257	4.873	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(C2CCC2)cc1	790928010	AIAYLUDXQDYWHU-UHFFFAOYSA-N	350.340	4.610	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	794946119	NMIAIZYFDLTOAX-MLPAPPSSSA-N	357.768	4.584	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)c(N)c1Cl	794949748	SGPZKBJAQPLSJN-UHFFFAOYSA-N	352.265	4.764	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(C)(C)CCC#N)c1C	798876597	XWGFUHWNYBBNDN-CPNJWEJPSA-N	355.482	4.685	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1c(Cl)cccc1Cl	807079766	SXPVXYIXMFDRIA-LBPRGKRZSA-N	374.271	4.864	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3cccc(C(F)(F)F)c3)sc12	809587176	MQNLTMSEKLPEAK-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)c1cc(C(F)(F)F)ccn1	812246620	PYSYAEUTTMWFCG-XFFZJAGNSA-N	353.141	4.927	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1	817921065	GTQMVMXXJZMDDY-QBFSEMIESA-N	364.367	4.651	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@H]1N	841190272	OEPOSEKEVBIYJN-ZWNOBZJWSA-N	373.391	4.935	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCC[C@H]1CC1(Cl)Cl	846586406	BZJRCIBFOCTQKW-NWDGAFQWSA-N	356.384	4.791	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O	846966524	MPTUQXURNWKAJO-XDNAFOTISA-N	371.612	4.633	50	20	FJGD	
CC[C@H](C(=O)NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1	920403203	ZLKKVHRXPHFQCO-ZDUSSCGKSA-N	372.877	4.510	50	20	FJGD	
CC1CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1	8083824	YBHUCOGNMYPGFS-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(-c2csnn2)cc1	57241387	NZWGXCPITOGSQX-CQSZACIVSA-N	365.549	4.858	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)s1	121757254	FLAJCPMZESVATH-TWGQIWQCSA-N	353.230	4.609	50	20	FJGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)c2ccc(Br)s2)s1	123502894	IJQGOUIJIGPHJE-UITAMQMPSA-N	367.293	4.880	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cc(C2CC2)nc2ccc(F)cc12	181109362	VYGKLGXMBKIQAA-UHFFFAOYSA-N	372.403	4.556	50	20	FJGD	
COc1ccccc1CC(C)(C)NC(=O)CCCC[C@H]1CCSS1	729420763	VDVIGDUQGJKYKL-INIZCTEOSA-N	367.580	4.847	50	20	FJGD	
C[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1cccc(Cl)c1	743298584	ZHPSDOJZYBQOJD-LLVKDONJSA-N	360.244	4.788	50	20	FJGD	
Cc1ccc(C#N)cc1NC(=O)NN(Cc1ccccc1)c1ccccc1	746674550	VASCXYPIPUACMH-UHFFFAOYSA-N	356.429	4.610	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)c(C)n1C1CCCCC1	747690201	DUVRYOOBMPVTBJ-LDADJPATSA-N	363.461	4.861	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(Cl)nc2ccccc12	748011811	BZSBYLOFKHYZPD-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CC(C)[C@@H](CCO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753929855	RGOMKQOGBBPYDF-GFCCVEGCSA-N	362.364	4.873	50	20	FJGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)ccc21	761200720	PSUIQXLDQLTEES-KPKJPENVSA-N	356.212	4.670	50	20	FJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	771631680	KFDHBWQUZBVZMZ-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
CCCc1csc(NC(=O)NN(Cc2ccccc2)c2ccccc2)n1	776481607	HXPGNPONQASEON-UHFFFAOYSA-N	366.490	4.839	50	20	FJGD	
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	782158482	RFPMZHCANMSHTH-MWLCHTKSSA-N	372.359	4.587	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cnc(-c4ccco4)s3)n2)cc1	789130673	PWRGQYUXQZYWQZ-NTEUORMPSA-N	360.398	4.826	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2cc(Cl)ccn12)C(=O)c1ccc(F)cc1	794695996	BXTJWMZJGCLYEF-XFFZJAGNSA-N	360.175	4.570	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2ccc(N(C)C)cc2C(F)(F)F)sc1C	794942046	GRSMMWQHGJJYBZ-QPEQYQDCSA-N	351.397	4.909	50	20	FJGD	
CCn1ncc(C(=O)NNc2c(C)cccc2C(C)C)c1-c1ccccc1	812767087	CLYDVMXQBQOJAQ-UHFFFAOYSA-N	362.477	4.759	50	20	FJGD	
CC(=NNC(=O)c1cccc2ncccc12)c1nc(-c2ccccc2)cs1	814841176	FAGMJWFQGBBMNJ-UHFFFAOYSA-N	372.453	4.512	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ncc(CSC)s1	834400313	DVQVNSPPLPDUIZ-OQLLNIDSSA-N	371.531	4.677	50	20	FJGD	
CNC[C@@H]1CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841180074	WSFZCZASMDCMRL-NSHDSACASA-N	359.364	4.560	50	20	FJGD	
C[C@H]1C(=O)CC[C@@H](C(=O)NNc2ccccc2Oc2ccccc2)C1(C)C	846462854	YBJRHUSXWISEEP-RDJZCZTQSA-N	366.461	4.563	50	20	FJGD	
Cc1ccc(NNC(=O)c2c(F)ccc(SCC3CC3)c2F)cc1F	856231721	JPVJDUFIEDTBLH-UHFFFAOYSA-N	366.408	4.671	50	20	FJGD	
Cc1ccc(F)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	857830257	VTKGJFYVXGCXQL-ZDLGFXPLSA-N	353.441	4.754	50	20	FJGD	
O=C(CC(c1ccccc1)c1ccccc1)NNc1ccc(F)cc1F	876992876	MZMXVJCPRFUTSA-UHFFFAOYSA-N	352.384	4.630	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1	915991707	IYXBYNFXZGVCNB-SMJHDNPOSA-N	365.273	4.691	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2OC)c1C	917622620	VABZGINXLDWGIL-YBEGLDIGSA-N	354.837	4.743	50	20	FJGD	
CC(C)CO[C@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	917630708	DAMHGWNFTFLMTP-YGRLFVJLSA-N	369.836	4.906	50	20	FJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ccc(C(C)(C)C)nn2)cc1	1323073502	VRRTXKFRCFXPIC-OAHLLOKOSA-N	354.498	4.534	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1cccc(Cl)c1Cl	44023831	DFVIFDPOIBBOJE-UXBLZVDNSA-N	353.155	4.817	50	20	FJGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(C2SCCS2)c1	154294521	RLMSLNPRXUUPND-UHFFFAOYSA-N	367.446	4.592	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2	192258479	GBGVMYVCAHJGOT-JLLWLGSASA-N	358.332	4.785	50	20	FJGD	
COCCOc1cccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)c1	255131634	JJYSHUMAPKSJFV-PTNGSMBKSA-N	369.371	4.521	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ccc(Br)cc2Cl)cc1	729275222	CDWIWSKNSSWJLP-UHFFFAOYSA-N	367.674	4.983	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1)C1CCCCC1	732716785	ZPGGRFQGGFTHTA-FYWRMAATSA-N	352.409	4.784	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3F)c2C)sc1C	741473556	IYTQJDQDBZBLAD-AUWJEWJLSA-N	370.428	4.905	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1	741705540	HALIBFOAXXQRLC-WJDWOHSUSA-N	374.362	4.736	50	20	FJGD	
O=C(NNc1nccc2sccc12)Nc1ccc(Cl)cc1Cl	743806444	JCZAYPOWNUEEDV-UHFFFAOYSA-N	353.234	4.752	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1OC	751514809	PJQJMNSHIALIAG-CXUHLZMHSA-N	363.442	4.595	50	20	FJGD	
O=C(CC1(CSc2ccccc2)CC1)NNc1cccc2cnccc12	771432137	QQBRABFEXGJAJS-UHFFFAOYSA-N	363.486	4.641	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(Cl)c(Br)c2)ncn1	773169898	AUPNKPHBLKWIOV-ONNFQVAWSA-N	366.671	4.679	50	20	FJGD	
N#C/C(=C/c1nc2c(s1)CCCC2)C(=O)Nc1cccc2ccccc12	776264789	IVDLJDZWNKQBMN-QINSGFPZSA-N	359.454	4.721	50	20	FJGD	
C=CCSc1ccccc1C(=O)NNc1ccnc2cc(Cl)ccc12	777104659	ODFLFBHIALHUQC-UHFFFAOYSA-N	369.877	4.923	50	20	FJGD	
C[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CCC1	778020329	MGXWAPZPVPAQNU-VIFPVBQESA-N	365.389	4.811	50	20	FJGD	
O=C(NNc1ccccc1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	780948120	DJKPMPJBYHFAOL-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cc1[N+](=O)[O-]	788329453	WHJWDCSDMYARNX-ZSOIEALJSA-N	364.382	4.608	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)OC)o1	794874761	OCWWXFXKIAFFJX-OWBHPGMISA-N	351.402	4.645	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(CN(CC)C(C)C)cc1	799759545	RAYBVDBPTYLALZ-UHFFFAOYSA-N	353.510	4.545	50	20	FJGD	
Cc1cc(-n2c(C)cc(C(=O)NNc3c(C)cccc3C(C)C)c2C)no1	812764987	QUJYLMPHIBFGBA-UHFFFAOYSA-N	366.465	4.579	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC=CCC1	817013286	GAHPDBKLWBZHSJ-SECBINFHSA-N	352.278	4.524	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccnn1Cc1ccccc1	849209955	ZLCKMZNHGLSIKI-MRXNPFEDSA-N	361.536	4.584	50	20	FJGD	
CC(=O)N1CCC[C@H](CNCc2cccc(S(F)(F)(F)(F)F)c2)C1	922076103	NRFCZDFXRBTACH-CQSZACIVSA-N	372.403	4.692	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1	98125483	CYXRZKZIIVERNO-YVLHZVERSA-N	369.453	4.968	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OC	108021238	HVMHHCSZTSHWRZ-WJDWOHSUSA-N	360.413	4.674	50	20	FJGD	
COc1ccc2sc(C(=O)NNc3cccc4cnccc34)c(C)c2c1	178486249	NXZILPXNQUXLDN-UHFFFAOYSA-N	363.442	4.523	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1Cc1ccco1	211451082	IUTKNEKSAQOGMB-OJSPLJLUSA-N	373.456	4.531	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(F)(F)F)c2)c(C)c1	727975594	FYOPZCNQJNQXNS-OQLLNIDSSA-N	360.335	4.748	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(-c2ccccc2F)s1	728698694	MJBXLEYRAAUGKV-WAYWQWQTSA-N	360.841	4.886	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCC[C@H]3C)cc2)cc1	729141240	YQJYAGUTJYAEMT-MRXNPFEDSA-N	366.461	4.570	50	20	FJGD	
COc1ccc(Br)c(/C=C(/C#N)C(=O)c2sccc2C)c1	747690585	OJRJQGCBWXIUQV-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F	748644513	MJZXNSDJGUFJLK-JTQLQIEISA-N	374.309	4.554	50	20	FJGD	
C[C@@H](CCC(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1	750424304	PECQGSDWZGQBMP-ZDUSSCGKSA-N	352.356	4.612	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2Cl)cc1	754672366	LASGZIUJLLEHEM-IZCBMXNHSA-N	354.837	4.523	50	20	FJGD	
CCC(CC)(C(=O)NNc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1	759970208	BMYMEIDHIQPXDD-UHFFFAOYSA-N	370.493	4.522	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3sccc3OC)n2)cc1	764418515	TXAOVJRABUKGNA-UKTHLTGXSA-N	354.456	4.953	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccccc2OCc2ccccc2)ncn1	773173741	UEKKKEMUHFXJJM-WQRHYEAKSA-N	359.454	4.842	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cc(Cl)ccc2Br)ncn1	773176576	ODJMLMQWMUKZFS-ONNFQVAWSA-N	366.671	4.679	50	20	FJGD	
COc1ccc(NNC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)cc1	778507196	WTQOHTWTZXCHRW-UHFFFAOYSA-N	368.820	4.898	50	20	FJGD	
O=C(NNc1ccc(Br)cc1Cl)c1sccc1Cl	802829723	VMTFNTNUMVVTIH-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@]2(CCNC2)C1	841179841	TUOVLBQPKUYDMB-AWEZNQCLSA-N	371.375	4.561	50	20	FJGD	
CN(C)c1ncc(CNc2cccc(S(F)(F)(F)(F)F)c2)n1C	842205540	HJEQWCTXPTZCEA-UHFFFAOYSA-N	356.364	4.756	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cccc(Oc2ccccc2)c1	857514793	YAFKBTQDZADVES-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1cc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)o1	1318032815	QYUYRRNTOCODRZ-HSGPEQJXSA-N	367.493	4.755	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)c(Cl)c1	16499743	HAAOOSVMHCSJEW-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(F)c(F)cc1Cl	128726106	YQDQDXJAROLXJK-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ccc(F)cc2)cc1	176361468	KZGQURIUSJUHQG-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	255232478	UOSDQPMAICELKM-KMKOMSMNSA-N	358.731	4.595	50	20	FJGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1	588425869	RSQLPXWUOCJAQX-WQLSENKSSA-N	369.833	4.590	50	20	FJGD	
CC(C)(CNC(=O)CCCC[C@H]1CCSS1)c1ccc(F)cc1	728538618	SEDRUCQMWKEWLM-INIZCTEOSA-N	355.544	4.934	50	20	FJGD	
COCCn1c(C)cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1C	730260239	MTJOLPFMWSPPEF-DHDCSXOGSA-N	355.438	4.564	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(C2CCCCC2)cc1	740095866	OSDFJGGBQBNGDH-UHFFFAOYSA-N	363.383	4.905	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3ccc(Cl)nc3)c(Cl)c12	743815995	MDTICLCDZPNUNO-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(Cl)nc2)c(C)n1CC(F)(F)F	748997910	LJMCLDZUANEVSV-AWNIVKPZSA-N	367.758	4.506	50	20	FJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1ccccc1Br	750912644	HCUZABIARSTGBM-RVFWBLQRSA-N	367.246	4.941	50	20	FJGD	
C[C@H](CC=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccccc1	755618838	DTMAZGVDKXLPIY-MRXNPFEDSA-N	363.486	4.648	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc2c(s1)-c1ccccc1OC2	770198455	SRKFZGUUTDOCMX-UHFFFAOYSA-N	374.824	4.857	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	771518931	AYVFOWSPHLNFMW-SFQUDFHCSA-N	366.424	4.667	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc2ccccc2cc1OC(F)F	771688713	OTWKASBRFJMYNZ-UHFFFAOYSA-N	360.335	4.646	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	785332836	FVHHDQRASHLOPZ-LSCADSNKSA-N	373.431	4.620	50	20	FJGD	
CC(C)c1ccc([C@H]2CCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	787476369	RCDNZOQKGLHCBS-FBHQFGEZSA-N	360.457	4.786	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)nc1O	791728383	JALHPELCGCWIJB-UHFFFAOYSA-N	374.227	4.518	50	20	FJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)c1ccc2ncccc2c1	794883896	DTVJOKCFRGBDBW-LCYFTJDESA-N	369.243	4.849	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2coc(C(C)C)n2)c1C	802970825	JWQDWHFWOOVIKJ-ZDLGFXPLSA-N	369.465	4.667	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cn1	812245288	PYTBWTJGWMTAHA-UKTHLTGXSA-N	351.749	4.967	50	20	FJGD	
O=C(NN=C1CCCC[C@@H]1C1CCCCC1)c1cc(Br)c[nH]1	814780034	FEEJBLCREKASNA-CQSZACIVSA-N	366.303	4.634	50	20	FJGD	
O=C(NCC(Cl)Cl)c1ccc(-c2nc3ccccc3s2)s1	816606133	ZVSAONNJEBMLMX-UHFFFAOYSA-N	357.287	4.558	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC(c2cccc(Cl)c2)C1	839785363	XCPVLHASCHETJV-INIZCTEOSA-N	355.956	4.980	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2F)c(C)n1CC(C)C	912689223	QUMLQJLOQDZTRP-PXNMLYILSA-N	357.404	4.585	50	20	FJGD	
Cc1ccccc1C=NNC(=O)c1cccc(NN=Cc2ccccc2C)c1	915904183	QORDUNIZCVACDQ-UHFFFAOYSA-N	370.456	4.513	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)C(=O)Nc1ccccc1F	915982489	FPAFSDLGPLAIIQ-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
O=C(NN=Cc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1	917546799	IFYBAXQUBKAJHN-UHFFFAOYSA-N	357.457	4.594	50	20	FJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(Br)cc2)cc1	918319996	JVZPOYHSGXDWMX-UHFFFAOYSA-N	365.296	4.707	50	20	FJGD	
C[C@H](Oc1ccccc1F)c1nnc([C@@H](Br)C(C)(C)C)o1	1118138497	UYPMQLFQAYOCLL-JOYOIKCWSA-N	357.223	4.831	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(Cc3cccs3)o2)c1C	1322545374	KZZKGAOWAAWQGC-YBEGLDIGSA-N	352.463	4.614	50	20	FJGD	
Cc1cc(C(=O)NNc2nc3ccc(Cl)cc3s2)c(C)n1CC1CC1	1328433425	XPAFSIYTSJMOFE-UHFFFAOYSA-N	374.897	4.535	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2)cc1	96476241	VALGVUUMGFKVQX-GDNBJRDFSA-N	355.235	4.557	50	20	FJGD	
Cc1cn2c(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c(C)nc2s1	105360391	RNCPPRIEXRNNKB-MHWRWJLKSA-N	372.453	4.712	50	20	FJGD	
CCCc1nc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC)c2C)cs1	110922082	KUVGSXOTAKBBNA-YVLHZVERSA-N	371.506	4.574	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1	151195999	CFRAGJYGNCCKBR-UHFFFAOYSA-N	365.414	4.503	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)c1cccc(F)c1	588597327	ITPDQOKMGXFIFL-UNOMPAQXSA-N	358.372	4.686	50	20	FJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1sccc1C(C)C	727173185	RDRVBKVKDMFVPQ-UHFFFAOYSA-N	361.536	4.626	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CCC[C@@H]2CCC(C)C)cc1OC	727256918	PUIPLCOQSXMIRX-MRXNPFEDSA-N	360.498	4.806	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2O)c1C	736680649	BCLWVQHNEFEBHI-WJDWOHSUSA-N	371.868	4.810	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1	743056462	HFWANYPWMWYQFJ-NQUDRAQSSA-N	361.869	4.810	50	20	FJGD	
C[C@@]12CC3CC(C(=O)NNc4nc(C(F)(F)F)cs4)(C1)C[C@](C)(C3)C2	755858012	FVDZCXDZTZENBF-LZNCCJSUSA-N	373.444	4.602	50	20	FJGD	
CCc1nn(C)cc1/C=C(\C#N)c1nc2cc(C(F)(F)F)ccc2s1	770571569	SYTCTHFFHXRINB-UXBLZVDNSA-N	362.380	4.675	50	20	FJGD	
C[C@H](C=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1	788977817	NBWHUQXLAPGGLZ-CYBMUJFWSA-N	373.378	4.635	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cccc2ncccc12)c1ccc(C(F)(F)F)cc1	789004816	XPEKHWUZXUXFGW-ZDUSSCGKSA-N	371.362	4.773	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ncc(C(C)(C)C)s2)n1	790601560	NXHOCCOBPIKEDN-YRNVUSSQSA-N	374.535	4.740	50	20	FJGD	
O=C(CCCn1cccn1)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548539	RDIUPEXPHZGDSP-UHFFFAOYSA-N	355.332	4.959	50	20	FJGD	
CCC1(O)CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)CC1	792866500	HETJLOXREFAEOI-UHFFFAOYSA-N	363.618	4.945	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794689932	DWMZLFDIIJFEAD-DHDCSXOGSA-N	361.367	4.803	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(Br)c1	794690244	HSFYXBWXEIQWEH-JYRVWZFOSA-N	368.234	4.707	50	20	FJGD	
CN(C)CC1(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	799227050	SYAMQNXRMSJKOR-UHFFFAOYSA-N	373.391	4.950	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(Oc2nccs2)c1	799760289	DQSHVXGKXNEDEX-UHFFFAOYSA-N	353.447	4.563	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1cccc(Cl)c1Cl	810198195	KQZBIOYLYOWVQE-NTEUORMPSA-N	371.223	4.858	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(OC2CCCC2)cc1	914755034	CEAHGOJMQNRAQK-UHFFFAOYSA-N	364.367	4.784	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(N4CCCCC4)o3)n2)cc1	917619746	MQCBJHCHBKTTSI-LGMDPLHJSA-N	360.417	4.693	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2)c1ccccc1	920241260	PSQHSFXQSLEDET-ZGPWBKFBSA-N	360.457	4.575	50	20	FJGD	
C[C@@]1(CO)CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	1321076806	SJDSOLHQDTXSMN-CQSZACIVSA-N	374.375	4.970	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CC=CC[C@@H]2C(=O)O)c1	1776269201	FUDMMEPOLFPIRN-ZWKOTPCHSA-N	361.558	4.580	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(O)c2)CC1	1776779077	OSNBWGSGGPIYEF-GZTJUZNOSA-N	355.434	4.563	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC	72117956	BQVQGAJZBQFWIM-AQTBWJFISA-N	364.445	4.728	50	20	FJGD	
O=C(NNc1cccc2cnccc12)[C@H]1C[C@H]1c1ccc2ccccc2c1	178487197	QETKENJAGDXDHW-SFTDATJTSA-N	353.425	4.635	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cnc(-c2ccco2)s1	179442566	XLBJMGXDRBRBPB-UHFFFAOYSA-N	372.208	4.606	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCO[C@H]1c1ccccc1	190248238	ZRUHSAZZAWKFIZ-SCTDSRPQSA-N	365.564	4.595	50	20	FJGD	
O=C(CC(F)(F)F)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	194411543	OKIHOUIXSGPLSV-SECBINFHSA-N	351.699	4.797	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@@H]1CCSS1)Oc1ccccc1Cl	742140904	JUXOADUHRQILFK-ZIAGYGMSSA-N	373.971	4.938	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@@H]1CCSS1)Oc1ccc(Cl)cc1	742875531	JNKBOBCKLOTPCL-CZUORRHYSA-N	373.971	4.938	50	20	FJGD	
CC(C)(C)CCCNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743626327	VPDOONURYMJUDZ-UHFFFAOYSA-N	368.481	4.516	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cn1ccc2ccccc21	748668015	WAKKBFUYPAKXCI-UHFFFAOYSA-N	363.486	4.978	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc2sccc2c1	754142315	FBZPWPXILYFROF-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2scnc2C2CC2)c(C)n1CC(C)C	762703638	BLKBHFIPDKMKSC-IUXPMGMMSA-N	368.506	4.641	50	20	FJGD	
CCCc1cc(C(=O)NNc2ccccc2OC(F)(F)F)sc1C	779209889	UDBPSFJTBVIRNA-UHFFFAOYSA-N	358.385	4.665	50	20	FJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)N[C@H](C)c3ccc(OC)cc3)c[nH]c12	787153848	GGGDANJWKSPSNR-GYZOOYGHSA-N	373.456	4.523	50	20	FJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2ccc(F)c(F)c2F)c1	789996741	YENVRJRYPKBJJE-LBPRGKRZSA-N	366.383	4.530	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cccc(F)c2)cc1)C(=O)[C@@H]1CCCOC1	794885060	SYIIWMMQYMGJOP-PCJMVEANSA-N	351.377	4.521	50	20	FJGD	
Cn1ncc(NC(=O)CCCC[C@H]2CCSS2)c1-c1ccccc1	805457357	UNLZHCDWZBLYLV-HNNXBMFYSA-N	361.536	4.740	50	20	FJGD	
FC(F)Oc1ccc(CNCc2ccc(OCCCCl)cc2)cc1	811472196	ZSMNXTSZCGMKCA-UHFFFAOYSA-N	355.812	4.586	50	20	FJGD	
CC(C)(CO)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	834588301	SCGJCOCSBPXLLB-SJLPKXTDSA-N	367.580	4.577	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1CO	856853531	BACJWTHRHAIJRL-QWRGUYRKSA-N	374.375	4.826	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ccccn2)c(C)n1C1CCCCC1	912651060	UPUJQTWCEIQFRU-CPNJWEJPSA-N	363.461	4.656	50	20	FJGD	
CC1CCN([C@H](CNC(=O)CCCC[C@@H]2CCSS2)C(C)C)CC1	915084070	XDIRIXGEGRGSPG-QZTJIDSGSA-N	372.644	4.573	50	20	FJGD	
O=C(NNc1ccccc1Cl)N[C@H]1CCSc2ccc(Cl)cc21	916224623	NWUNLZSTYJQEFE-ZDUSSCGKSA-N	368.289	4.857	50	20	FJGD	
COc1ccc(NC(=O)CCCC[C@@H]2CCSS2)c2cccnc12	919869976	OKNZLHDNAXDMBB-CYBMUJFWSA-N	362.520	4.896	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(/C=C/C(=O)O)cc2)cc1	1776807669	KZNBYTRTFMIJKG-LPCVSTDKSA-N	374.440	4.673	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2nc3ccccc3c(C(=O)O)c2C)c1C	1777443714	LPWNWZQFEUCISE-LFIBNONCSA-N	370.408	4.648	50	20	FJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1ccccc1	17473357	OFYINLCYXWBENB-OBGWFSINSA-N	364.408	4.547	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1ccccc1C(F)(F)F	43080609	FRBSIYFTLXSODZ-YRNVUSSQSA-N	352.262	4.529	50	20	FJGD	
COCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	132610112	NIOVECZXHABKIU-GRSHGNNSSA-N	357.438	4.892	50	20	FJGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184422925	JVLYUGRJPBPKEY-MRVPVSSYSA-N	361.336	4.543	50	20	FJGD	
CC(C)c1nn(C)c(Cl)c1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	254945077	ROFZJTBLQVPGRI-POHAHGRESA-N	366.223	4.779	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OC)c1	726118124	JAZYXTOQINPZMW-RIYZIHGNSA-N	355.356	4.549	50	20	FJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1cc(F)ccc1Br	728435850	HWDFWEGFRXYXNE-OTQCRUNXSA-N	367.262	4.997	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)c3c[nH]c4cc(F)ccc34)c2O1	737445068	VTCGEDSIKSMCHA-OVCLIPMQSA-N	360.388	4.810	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1ccc(Oc2ccccc2Cl)cc1	746887412	VVBFWKBQJCMEEN-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1OC(F)F	775639810	VJUWORBARUZMAH-ZFASXLDDSA-N	370.311	4.542	50	20	FJGD	
COc1cc(NNC(=O)[C@H](C)c2ccccc2C(F)(F)F)ccc1Cl	790179344	PCORGXAVHDTQMR-SNVBAGLBSA-N	372.774	4.614	50	20	FJGD	
Cc1cccnc1NNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1	791217810	ZSRKSKXBOIYYKB-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc2cc(Br)ccc2[nH]1	799754282	FDUUEZZQDBWEQO-UHFFFAOYSA-N	372.266	4.558	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1	810199858	RGJSLSWGHQDRCS-YBEGLDIGSA-N	352.397	4.656	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1OC	834748332	RXYUCCUFEQFVQD-ZROIWOOFSA-N	363.841	4.530	50	20	FJGD	
NC[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841178949	IQZSXPNFRFIYSP-SNVBAGLBSA-N	359.364	4.547	50	20	FJGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(OCc2ccccc2)cc1	862516908	AZVJCYRSCDUMQC-HNNXBMFYSA-N	366.383	4.687	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)c1nc(-c2ccccc2)no1	916131482	IHJSXHCFJQDQML-AQTBWJFISA-N	367.412	4.603	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(-n2ccnc2)c(F)c1	918367878	RIUCIQQPUOEZSG-AWEZNQCLSA-N	365.499	4.664	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccc(F)c2)s1)c1ccccc1Cl	1318167732	YKTCSPXYQMIAQI-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1F	1322984971	KPNDHQYWJKUMPN-WUXMJOGZSA-N	354.768	4.759	50	20	FJGD	
Cc1ccc(-c2nnc(/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)o2)o1	1325811752	XMQDOWWSQQZEQT-MFOYZWKCSA-N	350.422	4.777	50	20	FJGD	
CC(=O)c1ccc(OCc2ccc(CBr)cc2)c(Cl)c1O	98180870	ONWVGXSFUSIIBL-UHFFFAOYSA-N	369.642	4.722	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2ncco2)cc1	187663739	HYOMYMRRMWDAOP-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
Cc1ccncc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	188073209	DKQCTKCBDPTMBT-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
C[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	194348457	GQTAWWGUYVAHQB-UWVGGRQHSA-N	372.359	4.682	50	20	FJGD	
CC(C)(CO)CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	296907127	SMXMLVHHXNNGCV-UHFFFAOYSA-N	362.364	4.874	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1ccc(OC(F)F)cc1	754280575	HZEJIPMSNQHYNO-UONOGXRCSA-N	360.404	4.721	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)CC(F)(F)F)c(C)n1CCC(C)C	766605626	OGVGFHRJWUAUMV-OLWAXZHHSA-N	369.431	4.515	50	20	FJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ncc(Cl)cc1Cl	775266568	WLLGYUPKVLBPSU-UITAMQMPSA-N	356.640	4.588	50	20	FJGD	
C[C@@H]1C[C@H](Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCN1C	777621139	GOKHGFYRPHYCJU-JTNHKYCSSA-N	352.853	4.801	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1csc(-c2ccsc2)n1	785374560	DOKLGMDNGACKQS-NVNXTCNLSA-N	352.440	4.522	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)[C@@H]1CCCOC1	794884062	NQHNWSGRQBOLTA-FUXXUDPSSA-N	369.367	4.660	50	20	FJGD	
C/C(C=NNC(=O)c1ccccc1F)=C\c1ccccc1C(F)(F)F	799866431	GTDNGGWRZWAPJC-FDCMNIABSA-N	350.315	4.664	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(-c2cccs2)n1	812246146	DWTCOSMMUNXGQD-YRNVUSSQSA-N	360.364	4.627	50	20	FJGD	
CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC(Cl)Cl	819850452	ZMMJLWRFVKKKSK-NSHDSACASA-N	356.215	4.536	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1	837054018	ZNJMRQKOIMWPKR-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
C[C@H](N)[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179732	RLAPYUUDSXKMBW-UWVGGRQHSA-N	359.364	4.545	50	20	FJGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccccc2Oc2ccccc2)C1	846460393	CHUNPQQPAJKTQW-AEFFLSMTSA-N	354.450	4.517	50	20	FJGD	
Cc1csc(SCc2ccc(C(=O)NNc3ccccc3C)cc2)n1	865480630	ADXGTODIJJEYPA-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2cc3ccccc3nc2Cl)c2ccccc2n1	915922320	JYWDQYMZIKRWMS-UHFFFAOYSA-N	374.831	4.509	50	20	FJGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1	916284641	PGNBTUPZYQHRSQ-HNNXBMFYSA-N	358.445	4.593	50	20	FJGD	
Cc1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)cs1	916607443	PLYUJVIGIUQCHO-GIJQJNRQSA-N	371.506	4.566	50	20	FJGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1ccc2ccccc2n1	917528437	ASYDJMJCTRLIFQ-UHFFFAOYSA-N	357.438	4.727	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1ccc(Cl)cc1Cl	920064462	BUEHEIZQUYPRSX-BJMVGYQFSA-N	364.257	4.873	50	20	FJGD	
COC(=O)c1cccc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)c1	1340357550	VANGPBCGHXNWGN-JYRVWZFOSA-N	354.818	4.800	50	20	FJGD	
O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(CCCl)cc1	36900611	XKVHHCSVAMCCNP-UHFFFAOYSA-N	364.681	4.576	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(Oc2ccncc2)c1	120178181	LOTMYIRUGNNABG-UHFFFAOYSA-N	359.429	4.510	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2cc(C)ccc2SC2CCCC2)c1	182072983	VNZSNWIAFBZQKQ-UHFFFAOYSA-N	374.481	4.934	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCc2[nH]ncc2C1	273969624	RFWMDKDQEGFJOD-VIFPVBQESA-N	367.343	4.811	50	20	FJGD	
C[C@@H]1CCCC1=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	729140474	INSFDNZEUXPOOQ-CQSZACIVSA-N	361.420	4.947	50	20	FJGD	
CC(Cc1ccsc1)=NNC(=O)COc1ccccc1-c1ccccc1	729632895	JNQFRFDCMRLZON-UHFFFAOYSA-N	364.470	4.529	50	20	FJGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)s1	731159837	XRLJJGCUTYQLAU-PKNBQFBNSA-N	361.264	4.619	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1OCC(C)C	735620378	YQWRYZUZENVYNK-YVLHZVERSA-N	361.445	4.979	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1	743056461	HFWANYPWMWYQFJ-KAKTVLCNSA-N	361.869	4.810	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC	749450625	AWMXAALGGAZMIJ-RQNDZEIBSA-N	353.393	4.801	50	20	FJGD	
O=C(NNc1nccc2sccc12)C1(c2cccc(Cl)c2)CCC1	749536230	LFMROHHDUSUAQP-UHFFFAOYSA-N	357.866	4.515	50	20	FJGD	
CC(C)CONC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	750285482	MWXBZLPODRCNEA-LLVKDONJSA-N	356.797	4.615	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)C(=O)NCc1ccccc1	750901574	UIRCVRKGXGCQDE-ATVHPVEESA-N	362.429	4.778	50	20	FJGD	
COC[C@H](C)CC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	755149050	KAPWACGIMHWQMW-NOZJJQNGSA-N	355.809	4.517	50	20	FJGD	
COC[C@@H](C)CC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	755149061	KAPWACGIMHWQMW-TVQRCGJNSA-N	355.809	4.517	50	20	FJGD	
CCC[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762639026	FZOXJJRHJJGJDB-VIFPVBQESA-N	360.348	4.587	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C	764107351	LYKZUPSTYIRNNN-UNOMPAQXSA-N	371.440	4.714	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCCO3)cc1	764891798	OKLCOWYSOAXHAH-SXGWCWSVSA-N	353.805	4.600	50	20	FJGD	
CC1(C)C(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@H]1c1ccccc1	768484296	YEXNEIGRUFUTOH-KRWDZBQOSA-N	359.429	4.641	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(c2ccc(F)cc2F)CCC1	777418324	MVKDHGQCMZZPOZ-UHFFFAOYSA-N	370.321	4.549	50	20	FJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1c(C)cc(C)cc1C	780592030	XGRMQHWZOCRWDG-UHFFFAOYSA-N	373.478	4.779	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)NCc2csc(-c3ccco3)n2)cc1	780841051	GVJKYOWRJAPELY-UHFFFAOYSA-N	370.478	4.527	50	20	FJGD	
C[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@@H]1C	781114099	KTMAVGIRKRNUJN-HZPDHXFCSA-N	372.472	4.839	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1scnc1C1CC1	782306883	WMNPVOHXGUXVQC-WUXMJOGZSA-N	373.865	4.537	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccnc(C2CC2)c1	783026778	FORLJXWRENDIMP-UHFFFAOYSA-N	356.640	4.676	50	20	FJGD	
CCSc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)c1	787154780	MEEFOXXPJBDGOB-PWDRBQJJSA-N	366.486	4.592	50	20	FJGD	
Cc1ccc([C@@H](NC(=O)NNc2c(C)cc(C)cc2C)c2ccccn2)cc1	792295620	XAPLBCVUIIJZQG-JOCHJYFZSA-N	374.488	4.731	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)C1CCCC1	794690792	KJEONFHPJWRRHC-OQLLNIDSSA-N	359.351	4.557	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCCCC2=O	811447413	KVECODCFWRAPNV-UHFFFAOYSA-N	363.244	4.659	50	20	FJGD	
CC(=O)N1CCCc2cc(NCc3ccc(OCCCCl)cc3)ccc21	821221581	WHHMYAHDGCWPQP-UHFFFAOYSA-N	372.896	4.606	50	20	FJGD	
CCC1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)COC1	836498720	UDEWOZYYFOKNTG-UHFFFAOYSA-N	360.348	4.892	50	20	FJGD	
COc1ccc(Br)c(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843263096	AJGLAWUFUNJSMQ-SDQBBNPISA-N	361.264	4.856	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1	915985548	NPXQRRUPYHMYFL-GXDHUFHOSA-N	371.318	4.582	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(/C#N)C(=O)c1ccsc1	915989810	NYJZARIIZQBXJC-AUWJEWJLSA-N	369.396	4.619	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccsc2)c(-c2cc3ccccc3o2)n1	920068584	NAWNVMXDWVEAPQ-OVCLIPMQSA-N	359.410	4.685	50	20	FJGD	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)NNc1cc(F)c(F)cc1F	1322858362	ZOEPVGVCBLHSAB-UPHRSURJSA-N	361.150	4.567	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1C[C@@H]2CC[C@H]1O2	1347704697	GGSCUZJGXSNJRA-MVWJERBFSA-N	358.332	4.785	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H](CC2CCC2)C(=O)O)c1	1776270353	PDEHABRREUFXGI-SFHVURJKSA-N	363.574	4.804	50	20	FJGD	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccccc1	6240962	VEJSEAAXNFTOCT-CPNJWEJPSA-N	372.399	4.950	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(OCc2cccc(C#N)c2)c1	44025865	MFNJBLMLUGUHMA-JAIQZWGSSA-N	368.392	4.829	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)s1	121770671	KCCQWEPMHBBTPE-CLFYSBASSA-N	353.230	4.609	50	20	FJGD	
COC(=O)c1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)o1	186062029	IIDAJSBWWMDYGH-UHFFFAOYSA-N	371.283	4.976	50	20	FJGD	
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192977732	ONIHIAGNLGAEPJ-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1ccc(Cl)cc1Cl	743808164	NBMVADGFSAFIRL-UHFFFAOYSA-N	350.127	4.559	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(-c2ccc(Cl)s2)on1	748588924	TUIWJHYTYXTVMU-UHFFFAOYSA-N	373.865	4.692	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1	764412906	WMPRFRVBVSNREB-DTQAZKPQSA-N	374.396	4.764	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cccc(-c2cccnc2)c1	768483432	PNZYOQUZWIWKBQ-UHFFFAOYSA-N	365.436	4.595	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(Cl)cc1C(F)(F)F	771432488	TYYAAKOQZVKCLY-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cc1OC	794952667	HPDAQYGCKSJBKF-ZJYZBMPFSA-N	371.477	4.557	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3ccc(-c4ccccc4)nn3)c2c1	807031815	IHEVCDVIEQHYKL-UHFFFAOYSA-N	372.428	4.770	50	20	FJGD	
O=C(NN=C1CCCC[C@@H]1C1CCCCC1)c1nnc(-c2ccccc2)o1	814816642	YPVNMRMKZCFFSF-QGZVFWFLSA-N	366.465	4.593	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)c1ccco1	817933731	PXPOCOHWMDWNNF-JLHYYAGUSA-N	350.355	4.706	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@H](F)C1	846703184	JODNITAYFAMNOM-CABZTGNLSA-N	370.799	4.872	50	20	FJGD	
C=C(Cl)C[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776143435	QIQLMQLXPGWFIG-MRXNPFEDSA-N	369.965	4.756	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1OC	18918254	OJJAXAMBFZEVRH-RIYZIHGNSA-N	359.784	4.676	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1OC(F)F	51121314	XWDCGPMUVBUKCF-RAXLEYEMSA-N	355.344	4.627	50	20	FJGD	
O=S(=O)(N[C@@H]1CC=CCC1)c1cccc(S(F)(F)(F)(F)F)c1	187106745	WTITWHMHDSHUTF-SNVBAGLBSA-N	363.373	4.731	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1F	209381930	KKOQVCFQJLACHD-KAMYIIQDSA-N	350.324	4.770	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCc2nccn2C1	373738895	RZTZZULWNDFJRT-SNVBAGLBSA-N	367.343	4.742	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1	726118352	MWNKALCYPJYSON-RGEXLXHISA-N	370.456	4.847	50	20	FJGD	
O=C(Nc1cc(F)c(F)cc1F)NN(Cc1ccccc1)c1ccccc1	729575463	IAIHVOPTGWOIFP-UHFFFAOYSA-N	371.362	4.847	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Cl)c1OC	730434446	MTYNRIUXZMQMKD-XNTDXEJSSA-N	370.836	4.520	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccc(Oc2cccnc2)c(C)c1)c1ccccc1	732712006	NMHJOWHSHPLJAD-NRFANRHFSA-N	373.456	4.826	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3[nH]ccc3c2)c(C)n1CC(C)C	733127922	IBJZEYKPMHCKRQ-VXLYETTFSA-N	360.461	4.788	50	20	FJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3cccc(Cl)c3)s2)cc1	734294878	KCAYUUSCKKSIAL-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cnc(C(C)(C)C)s3)n2)cc1	736432593	AYCNBHKWLVJMEU-NTEUORMPSA-N	350.447	4.863	50	20	FJGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1ccc(Cl)cc1Cl	748008214	HGEHFFFFNLAWQO-NSHDSACASA-N	353.249	4.639	50	20	FJGD	
N#C[C@@]1(F)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752991319	UHLFMVLPUQDNOO-LBPRGKRZSA-N	359.295	4.813	50	20	FJGD	
Cc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)oc2ccc(F)cc12	754152303	HEKOTXFVPCZHSY-UHFFFAOYSA-N	370.277	4.795	50	20	FJGD	
O=C(NNc1ccccc1)Nc1ccnc(Oc2ccccc2Cl)c1	770040370	XXDHUOIMPHLLOG-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1noc(C2CCCCC2)n1	773109642	KRBNKKKRBUXNOI-AWEZNQCLSA-N	370.540	4.875	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2OC(F)(F)F)oc2ccc(F)cc12	779209109	SMHGTYMSBHHWFK-UHFFFAOYSA-N	368.286	4.536	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](CCO)c1ccc(Cl)cc1	807845034	UQKSTQHOBWIUNX-CVEARBPZSA-N	373.971	4.594	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc3ccccc3cc2OC(F)F)cc1	817920881	CFAUKSACJKYHHB-UHFFFAOYSA-N	372.371	4.597	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(C)C)cc2)csc1Br	837058073	LHWFCVULSCHVNB-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)cc1Cl	857514070	ROYXZFIUPZWIOD-UHFFFAOYSA-N	371.790	4.808	50	20	FJGD	
O=C(CC[C@@H]1CCCO1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	129674493	VDWZHBRKFOYQMI-HZMBPMFUSA-N	367.820	4.804	50	20	FJGD	
C[C@H](O)[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184422880	MTVHZNRUSCIBIO-UWVGGRQHSA-N	360.348	4.579	50	20	FJGD	
O=S(=O)(Nc1cccnc1)c1cccc(S(F)(F)(F)(F)F)c1	188020191	CJWIQMXITXOUIV-UHFFFAOYSA-N	360.329	4.540	50	20	FJGD	
CC1(C)CCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193189617	VNEMPYDCLUYHTD-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)Nc1ccc(SC(F)F)cc1	212841004	RTWCUQPDKIRNPD-XFFZJAGNSA-N	366.339	4.825	50	20	FJGD	
N#Cc1ccc(NNC(=O)Nc2cccc3ccccc23)cc1C(F)(F)F	726867929	GHVSCSSQZHONLB-UHFFFAOYSA-N	370.334	4.879	50	20	FJGD	
Cc1ncccc1/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	728786096	RQWNPCFEDASJMU-JXAWBTAJSA-N	355.397	4.728	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)[C@H](C)Oc1cccc(C)c1C	730548249	XWCBSKAYGKPABE-INIZCTEOSA-N	364.445	4.530	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(C)(C)CCCc1ccccc1	732936392	WGRYLJPBVHQSNZ-UHFFFAOYSA-N	357.406	4.558	50	20	FJGD	
CC(C)(CNC(=O)NNc1ccccc1)c1ccc(Cl)c(Cl)c1	734272644	NPCBJJDMVGQXFH-UHFFFAOYSA-N	352.265	4.597	50	20	FJGD	
Cc1cccc2nc([C@@H](C#N)C(=O)CCCC[C@@H]3CCSS3)[nH]c12	735791149	UZBBSKMLRDYDMO-KGLIPLIRSA-N	359.520	4.762	50	20	FJGD	
C[C@]1(CO)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752984994	IKNHISUPZGQBNV-CYBMUJFWSA-N	360.348	4.723	50	20	FJGD	
C/C(=C/C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1	754148069	RURURXWKFQBFJA-NTMALXAHSA-N	356.294	4.530	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	779221386	UWFUAAHVUIFDAD-MTOJCTJASA-N	354.837	4.523	50	20	FJGD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H](Br)C(C)(C)C	781073788	PBVQBQMXIDOJLF-ABAIWWIYSA-N	352.272	4.762	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1)c1ccccc1	787145341	PWRCUXHAWYWPPF-DWFNGTSHSA-N	367.452	4.923	50	20	FJGD	
O=C(NNc1cccc(F)n1)Nc1ccc(N=Nc2ccccc2)cc1	806101921	VWRKQMMWNOFXTA-UHFFFAOYSA-N	350.357	4.785	50	20	FJGD	
Cc1nc(CSc2ccc(C(=O)NN(C)c3ccccc3)cc2)cs1	818031367	CFVUVBJBOKNNRM-UHFFFAOYSA-N	369.515	4.525	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)c1C	875107835	AROUUCGACLDIRD-YLRSXTQRSA-N	373.541	4.550	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)cc1OC	916348379	XWHOBPNYSYFDAD-IAGOWNOFSA-N	372.509	4.950	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916361923	NKBGVNISXMUNEE-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc3c2OCCO3)cc1	917516626	BPXISXTZOYQPHB-QLENYVDCSA-N	362.429	4.517	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	7167075	PURDBMXYVHVXBI-LFYBBSHMSA-N	374.195	4.610	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(N2CCCC2)cc1	31303288	KVDAVSXZDXJZGA-KRWDZBQOSA-N	350.553	4.939	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1ccc(F)cc1	183941843	PUMLXUALVJDEBI-QPEQYQDCSA-N	367.273	4.696	50	20	FJGD	
CC(C)CCC(=O)NCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183984700	KHCJOYVJUVTLCK-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	194568853	DINZLPPOIKNIFR-PWDRBQJJSA-N	366.486	4.677	50	20	FJGD	
C[C@@H](C#N)CN(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	264132409	MWTMEKXLUACYEY-JOYOIKCWSA-N	365.808	4.529	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OCC(F)F)cc2)c1C	741852999	RWIWRYFRXVDBPI-GZTJUZNOSA-N	372.415	4.949	50	20	FJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1ccccc1Cl	748334092	YBYGVGRZDJJXGO-UHFFFAOYSA-N	358.850	4.834	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)o1	751514470	MOOJBSDJLBSDSX-XFFZJAGNSA-N	364.184	4.553	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccccc1OC1CCC1	752810634	DBUAJACESVKMOU-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccc(F)cc3)cs2)cc1	767918241	VIBZGYPNQDPAFB-XNTDXEJSSA-N	364.401	4.748	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)c1ccccc1OC(F)F	775639426	PFDVXOXRRSVLOU-NTMALXAHSA-N	351.711	4.870	50	20	FJGD	
O=C(CCc1cnc2ccccc2c1)NNc1ccc(Cl)cc1Cl	792259399	CKYHYHZDFNOMHR-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)c1cnc2ccccc2n1	799892335	LCMXPNAWWJFHPG-JXMROGBWSA-N	372.172	4.735	50	20	FJGD	
CC(C)Sc1c(Cl)cccc1NC(=O)NNc1ncccc1F	806299693	DXXNZRBZOWTMJF-UHFFFAOYSA-N	354.838	4.523	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccc(OC(F)(F)F)cc3)sc12	809719951	SPPVSEBGGPMACI-UHFFFAOYSA-N	366.364	4.865	50	20	FJGD	
CC(C)C(=O)Nc1cccc(NCc2ccc(OCCCCl)cc2)c1	811468545	WOWBCPXMCQWJJN-UHFFFAOYSA-N	360.885	4.901	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1O	812246570	OKYUAHDJUOUEOS-VZUCSPMQSA-N	368.742	4.922	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccccc1C(F)(F)F	814888596	HEQXLNYQFHUMTP-UHFFFAOYSA-N	351.372	4.543	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@]2(CCNC2)C1	841179842	TUOVLBQPKUYDMB-CQSZACIVSA-N	371.375	4.561	50	20	FJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)c1ccccc1F	11334017	JGAMMHFFGHWEOK-SAPNQHFASA-N	367.383	4.930	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1Oc1cccnc1	120240240	FTODWRIUZIDXAE-UHFFFAOYSA-N	359.429	4.510	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1)c1ccccc1	128686972	WUGGBKPFTNJZTK-MPMPPSQCSA-N	351.475	4.585	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Br)c1	131271362	KKOCGDKJAACOOI-UXBLZVDNSA-N	358.182	4.573	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cncc(-c2ccccc2)c1	135876102	KVRSLHZJZWURPK-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccco1	212649467	PXNXCODKIXDSMK-JXAWBTAJSA-N	365.392	4.922	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2nc3ccccc3s2)o1	588588744	LUNCDNIFVNMDRH-KAMYIIQDSA-N	372.471	4.636	50	20	FJGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CCCC[C@H]1CCSS1	735662665	HBRXNWNVSZTSAJ-HLLBOEOZSA-N	359.601	4.658	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OC	749449969	BAVYRJXMIMVYMQ-IQFISFIMSA-N	364.445	4.727	50	20	FJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)Nc1ccccc1Br	750817808	LDUKYFQZDITUHI-RVDMUPIBSA-N	367.246	4.872	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cc2n(n1)CCCO2	763238269	AVLPGKODVHEGOB-UHFFFAOYSA-N	369.315	4.575	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(C)ccc2C)cnn1-c1cccc(C)c1	768093862	QSOFNDUMFBPACM-UHFFFAOYSA-N	362.477	4.507	50	20	FJGD	
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)c1cc(SC)ncn1	773171595	JQDBGZLGPFEORT-ZDLGFXPLSA-N	359.454	4.938	50	20	FJGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccc2ccccc2c1	775270590	KBJWWJIDJDGHRN-LLVKDONJSA-N	360.244	4.788	50	20	FJGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	777883623	BXXLMJICQMOLFJ-FOWTUZBSSA-N	364.832	4.515	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1)c1ccccc1	781546466	FAAQHTFWAMLLNV-RERGGYADSA-N	358.413	4.786	50	20	FJGD	
Cc1cc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1-c1ccccc1	787537908	GUEDEBOACUIKCI-STZFKDTASA-N	368.436	4.591	50	20	FJGD	
CC1(CCNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	792371004	FJHWZEQDRSRTCH-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)c1ccc2ncccc2c1	794884004	NBFRNODKEHRVNI-CXUHLZMHSA-N	368.314	4.923	50	20	FJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)[C@@H]1CCC(C)(C)C1	796533488	TURYZFMTLBDINS-LJQANCHMSA-N	355.462	4.511	50	20	FJGD	
O=C(NCCC1(CO)CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	836511143	BHOSYNVDDPVLGE-UHFFFAOYSA-N	360.348	4.628	50	20	FJGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)s1	914702481	HSEFXYYYMVDEPU-IGVUGNCQSA-N	361.850	4.554	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C/C=C/c1ccco1	920371490	SIRQFPXEYURBQU-JLIBASKPSA-N	371.849	4.673	50	20	FJGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	921189361	BMZUXSGDPZRDMP-NVNXTCNLSA-N	356.208	4.795	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)c3ccccc3C)cs2)c1	1248407159	DQDOFLXROLTSGF-MHWRWJLKSA-N	360.438	4.917	50	20	FJGD	
c1ccc(-c2nnc(-c3nnc(CCCC[C@@H]4CCSS4)o3)o2)cc1	1326514543	SKHBCTJOUQMNPR-CYBMUJFWSA-N	374.491	4.653	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CC[C@H](C(=O)O)CC2)c1	1776269274	YZWIPXDPCDFGGL-QAQDUYKDSA-N	363.574	4.804	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1csc(-c2cccs2)n1)c1ccccc1	97546137	YOHXNKVXSMTNMZ-OJNRTJSBSA-N	365.483	4.656	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(Cl)c1F	124321453	HGTZOORSTHWUDO-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3cc4cc(F)ccc4o3)[nH]c(=O)c2c1C	132507946	CRPDKHONRZZAOO-GHXNOFRVSA-N	365.389	4.551	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1ccccc1C(F)(F)F	158766065	NWTHMLCAPGCOCM-WZUFQYTHSA-N	352.262	4.529	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cccc(COC)c1	186429587	DCXDJNUTMINOMU-UHFFFAOYSA-N	368.502	4.712	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cn1	191262983	ULIDPMRPPVANFH-XNTDXEJSSA-N	367.403	4.735	50	20	FJGD	
Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cnn(CCCl)c3)s2)cc1	728697181	DWBWMOYXKCAVHG-YVMONPNESA-N	371.893	4.758	50	20	FJGD	
COc1ccc2oc([C@H](C)NC(=O)NNc3ccccc3Cl)c(C)c2c1	730133983	ZKSJECBRCURKPM-LBPRGKRZSA-N	373.840	4.791	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccccc3OCc3cccnc3)[nH]c12	735619866	RMIQRSVCSHHMTC-UNOMPAQXSA-N	366.424	4.910	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2O)c(C)n1CC(C)C	736682730	NZKMHZSNRREPLW-SXGWCWSVSA-N	371.868	4.666	50	20	FJGD	
C=CCSCCNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	745115402	IQEWXEQKEMVOIA-XMHGGMMESA-N	371.550	4.553	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3cccc(F)c3)cs2)cc1	772172497	RDMQSURLFPHEIQ-GDNBJRDFSA-N	364.401	4.748	50	20	FJGD	
C[C@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)[C@H]1C	777987949	SCJKJJZPUZUIAB-UWVGGRQHSA-N	365.389	4.763	50	20	FJGD	
Cc1cccnc1NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	791214531	DKSFFTFIALMGEX-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccnc(Cl)c2Cl)c(C)c1	791435840	XSCQZYGIDREHLH-ZSOIEALJSA-N	360.244	4.859	50	20	FJGD	
COC(=O)C(C)(C)N(C)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792872878	QMNMKHOFJFRCTD-UHFFFAOYSA-N	365.590	4.592	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cn1	797785916	YSGQHEHCXLOFHE-GHRIWEEISA-N	372.403	4.534	50	20	FJGD	
CC1=CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	797846435	AAKSQARLGZWRJE-UHFFFAOYSA-N	363.373	4.685	50	20	FJGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	808745976	GZSUKWAZLMQKQD-RBUKOAKNSA-N	367.581	4.999	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OCC)c1C	857651203	NWTXGVBBCXTTKR-RGEXLXHISA-N	365.477	4.849	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccccc3OC)o2)c1C	1322242610	CFCKVPGDULYJKO-SFQUDFHCSA-N	362.433	4.638	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	6430829	XNWOKBGEOBFMHY-NTUHNPAUSA-N	372.660	4.985	50	20	FJGD	
O=C(NNc1ccccc1)c1cc(-c2ccc(F)cc2)nc2ccccc12	97637582	YVVDJCUNFPBXHT-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1sccc1Br	132815728	LAERTYGUVFOZFD-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
Cc1csc([C@H](NC(=O)NNc2ccc(Cl)cc2Cl)C2CC2)n1	175829889	XTMNGIHCEAWNRN-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
C/C(=C/C(=O)NNc1cc(F)c(F)cc1F)c1ccc(C(F)(F)F)cc1	734554830	JNRKBCXVOJXXLW-TWGQIWQCSA-N	374.284	4.669	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1	748416874	XEOXGZWQSAPPER-UHFFFAOYSA-N	351.837	4.776	50	20	FJGD	
Cc1csc(-c2cccc(C(=O)NNc3cccc4c3CCCC4)c2)n1	748574014	SNUJCIFQNNEMLP-UHFFFAOYSA-N	363.486	4.754	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c2ccccc21	769725739	MLVNAWOBAMEVMI-UKTHLTGXSA-N	374.831	4.981	50	20	FJGD	
CC(C)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccc(Cl)cc1F	787509741	BBSWSJVGYALRIM-JNMQVBFRSA-N	372.827	4.605	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1Cl	788000518	GXLIMKHQEZWEOI-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1cc2ccccc2s1	788331137	LOVABPVXSGMYAC-BOPFTXTBSA-N	355.422	4.877	50	20	FJGD	
C=C(CBr)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	791485901	CWBRLCQYJJSZLU-HNNXBMFYSA-N	355.279	4.827	50	20	FJGD	
CC(C)[C@H](CCO)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792877956	XWRITJDHNPTWFN-IBGZPJMESA-N	351.607	4.705	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@@H]2CCSS2)Cc2ccccc2O1	809221551	UCEMSXBTLLAWQH-MRXNPFEDSA-N	365.564	4.900	50	20	FJGD	
CON(C(=O)CCCC[C@H]1CCSS1)[C@@H](C)c1csc(C)n1	833750455	PJPSQXYQTFNKDG-AAEUAGOBSA-N	360.570	4.617	50	20	FJGD	
CCCc1c(C(=O)NNc2cccc(F)c2Cl)cnn1C1CCCC1	862506580	CPJQYEBXVUXLQO-UHFFFAOYSA-N	364.852	4.500	50	20	FJGD	
CCOc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cc1	915301642	LICXVBQFJRLSBO-UHFFFAOYSA-N	361.445	4.829	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccsc1	915990256	XEXGIDGVSUMOQZ-ZROIWOOFSA-N	353.834	4.686	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2csc([N+](=O)[O-])c2)cc1	917146127	YJVPVWZWCPBIOE-AAWHYMEISA-N	355.419	4.715	50	20	FJGD	
Cc1ccc2c(C=NNC(=O)c3sc(-c4ccccc4)nc3C)c[nH]c2c1	917540363	RFLIWXGXSOGSFM-UHFFFAOYSA-N	374.469	4.672	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(-c2ccccc2)no1	126063731	SCRXZJFNSZICQJ-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
Cc1cc2cc(C(=O)NNc3ncc(Cl)cc3Cl)oc2cc1C	132573471	WFQLZYSYAZMCIO-UHFFFAOYSA-N	350.205	4.508	50	20	FJGD	
Cc1ccc(CN(C)C)cc1NC(=O)CCCC[C@H]1CCSS1	177360321	OHSQVLIYVQRYJS-INIZCTEOSA-N	352.569	4.709	50	20	FJGD	
O=S(=O)(Nc1nccs1)c1ccc(S(F)(F)(F)(F)F)cc1	181314510	TYHRVIQMHIITIC-UHFFFAOYSA-N	366.358	4.601	50	20	FJGD	
C=CC[C@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181682585	RZZDNXPISIGIAB-VIFPVBQESA-N	351.362	4.587	50	20	FJGD	
CC(=O)N1CCC[C@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	186058972	BFUUTPVVIATPLS-NSHDSACASA-N	372.359	4.541	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc(Cl)c1O	588597276	DTUABMQUXOIESJ-BASWHVEKSA-N	363.747	4.512	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1	734271667	DGYRIBBYMFFMKE-HXUWFJFHSA-N	367.399	4.575	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2nccc3ccccc23)n1	740763653	FJUHXRLSRUQIPN-UVTDQMKNSA-N	362.458	4.534	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc(Cl)c1)c1ccccc1C(F)(F)F	741666115	ZISMIOKGBMCJJW-LLVKDONJSA-N	356.775	4.996	50	20	FJGD	
Cc1ccoc1/C=C(/C#N)C(=O)Nc1nc(-c2ccccc2Cl)cs1	742349310	DKOSNEXJUVUNSZ-WQLSENKSSA-N	369.833	4.911	50	20	FJGD	
CC(C)Oc1c(F)cc(NC(=O)NNc2ccccc2Cl)cc1F	752879247	WPQMWFYSEWOQGL-UHFFFAOYSA-N	355.772	4.554	50	20	FJGD	
Cc1ccnc(NNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1	755840320	VYOYPQAWJLGTBS-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
C[C@H]1[C@@H](C)N(C)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762975524	NUVOUHHMQGKWFM-MNOVXSKESA-N	373.391	4.900	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	768267318	BCGOSAKZBZGLMB-ISAHRAOESA-N	358.182	4.573	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F	768301628	ZLFBZFNONUGLOU-CABCVRRESA-N	374.269	4.828	50	20	FJGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c1	773159917	KABFKYQXYREORW-YBEGLDIGSA-N	373.811	4.684	50	20	FJGD	
O=C(CCCc1ccc2ccccc2c1)NNc1ccc(OC(F)F)cc1	775781335	AHCYXMGMUAKREU-UHFFFAOYSA-N	370.399	4.907	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2OC(F)F)c(C)c1	777869047	FFERFFSVWDEDRB-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C(F)(F)F)cc1	789018659	ZVZYEFLUQSNZPB-SNVBAGLBSA-N	370.758	4.584	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cc1	794884282	OMCRMRIFDCSRHQ-JHRFGPFWSA-N	374.484	4.616	50	20	FJGD	
COc1cc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)ccc1OC(C)C	814755533	CABUJQOZVONZGM-QGZVFWFLSA-N	366.461	4.536	50	20	FJGD	
C[C@@H](O)[C@H]1CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	822612002	DEZWQLPDGSGGQT-BXKDBHETSA-N	360.348	4.721	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(-c2nncs2)cc1	848022874	HHEYKUUHTIMDCL-CQSZACIVSA-N	365.549	4.858	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	855367522	VOIMXYTZTMADON-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1OC	915078213	FDZZRQQWMGOWGL-HOCLYGCPSA-N	353.553	4.977	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3c(CC)cccc23)cc1	915846963	FFOATCXEUWFPAU-VBKFSLOCSA-N	359.429	4.675	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1OCC(C)C	915990666	TYRDSFIIGLNCLU-SXGWCWSVSA-N	355.459	4.890	50	20	FJGD	
COc1ccc(CCCN(C)C(=O)CCCC[C@@H]2CCSS2)cc1	918390838	NSUOUKGACYCYJF-GOSISDBHSA-N	367.580	4.800	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H]1c1cccc(Cl)c1	1338037436	GAUYZCVWAULCIH-KBPBESRZSA-N	358.707	4.813	50	20	FJGD	
Cc1cc(C=NNC(=O)c2ccccc2Cl)ccc1Oc1cccnc1	1338942527	LJDYYKVYDWENOT-UHFFFAOYSA-N	365.820	4.600	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc3oc(C(=O)O)cc3c2)cc1	1776126921	BFAOOYLQFFVXBE-WQRHYEAKSA-N	359.381	4.873	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Br)cc1	6410822	ZIZXGLCCSWXJAU-RVDMUPIBSA-N	355.235	4.557	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cscn1	102983588	ZSUBJVTVRIWYQG-LLVKDONJSA-N	352.790	4.615	50	20	FJGD	
O=C(NNc1ccccc1Br)c1ccc(SC(F)F)cc1	153650725	JYIMIJUVMBEEGC-UHFFFAOYSA-N	373.222	4.521	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1ccc(Cl)s1	588424691	HPWPVCQJMZRRME-HFQYIWAZSA-N	373.861	4.749	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3cnn(C(C)C)c3c2)cc1	725718487	JYBRIILRBLZQDO-WOJGMQOQSA-N	374.444	4.562	50	20	FJGD	
CCC(=NNC(=O)c1cc(F)ccc1Br)C1CCCCC1	728437146	YTKKLNBAQJYBES-UHFFFAOYSA-N	355.251	4.664	50	20	FJGD	
N#Cc1ccc(SCC(=O)NN(c2ccccc2)c2ccccc2)cc1	728455310	GOYMRFLGSALJNF-UHFFFAOYSA-N	359.454	4.520	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CCC[C@@H](C(F)(F)F)C1	729514498	GOBBRILBHSGVHB-WDEREUQCSA-N	371.790	4.700	50	20	FJGD	
O=C(C[C@H]1OCCc2ccccc21)NN(c1ccccc1)c1ccccc1	734312587	KFBHUPWUUZSLJK-JOCHJYFZSA-N	358.441	4.560	50	20	FJGD	
CC(=NNC(=O)CCCc1ccccc1)c1cccc(-c2ccncc2)c1	741464184	NCSOPZBKRIIQFL-UHFFFAOYSA-N	357.457	4.612	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@H]1CCCO1	743057435	RRHBNCCVPVXMND-BAPRJRNISA-N	371.820	4.589	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(-c3ccccn3)c2)c1C	747691835	WNKDUAIOCLQUFM-XSFVSMFZSA-N	353.425	4.911	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)o1)NNc1cccc2cnccc12	748758843	IDTJMYCQFRNZQF-UHFFFAOYSA-N	357.413	4.571	50	20	FJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(OCC2CCCCC2)CC1	750052216	WAYVXFCGOUYEBH-UFFVCSGVSA-N	369.465	4.521	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1C#N	766289628	OZFYGJYJFMXSLQ-AUWJEWJLSA-N	356.212	4.719	50	20	FJGD	
Cc1ccc(-c2nc(COC(=O)[C@@H](Br)C(C)(C)C)cs2)o1	766751030	ULOJLJJHYLZHKB-GFCCVEGCSA-N	372.284	4.564	50	20	FJGD	
NC(=O)c1ccc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)cc1	770513251	CXBHARBYRKAVTF-HNNXBMFYSA-N	374.815	4.617	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cn(C)nc3-c3ccccc3)c[nH]c2c1	771522430	ZTWAIBLMRZMWJU-BOPFTXTBSA-N	366.424	4.667	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cc(C)ccc2OC(F)F)ccc1[N+](=O)[O-]	774563258	YKAIESIYIHYHJV-ZSOIEALJSA-N	360.316	4.577	50	20	FJGD	
CCCN(C1CC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777935221	KBPHVGUTSAAWTD-UHFFFAOYSA-N	365.389	4.907	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1c[nH]cc1-c1ccccc1F	787459141	UUNKCAWMPJJRIB-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
C[C@@]1(CNC(=O)c2c(Cl)ccc(Cl)c2Cl)C[C@@H]1Br	857690581	WBSPYTQYMAQHLG-UFBFGSQYSA-N	371.489	4.550	50	20	FJGD	
C[C@H](CCc1ccco1)NC(=O)NN(Cc1ccccc1)c1ccccc1	915913908	JIBNXEMXTMIDAI-GOSISDBHSA-N	363.461	4.522	50	20	FJGD	
COc1cc(C(=O)NN=Cc2ccccc2Cl)ccc1OCCC(C)C	916348196	DSDPCCMNEIJHSC-UHFFFAOYSA-N	374.868	4.537	50	20	FJGD	
CC(C)COCCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918562425	IDWZYFYEEHSZQP-CQSZACIVSA-N	369.836	4.907	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@@H]2CCn3ccnc3C2)c1	922017121	LNTOIBQESHBBKW-GFCCVEGCSA-N	353.360	4.645	50	20	FJGD	
COc1ccnc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)c1	183390683	YZMHXTVMOZBHAS-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
N#C/C(=C/c1cc(Br)ccc1F)C(=O)c1c[nH]c2ccccc12	207895587	ADQXNNPKXJQFGS-GHXNOFRVSA-N	369.193	4.859	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)c1ccccc1OC(F)F	588384717	LPJJHAGHOBEGID-OWBHPGMISA-N	372.371	4.661	50	20	FJGD	
CC(=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1sc(C)nc1C	726737840	YQOWMUJDVBJTOE-UHFFFAOYSA-N	373.478	4.782	50	20	FJGD	
CCCCC[C@H](NC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1	728136908	QDWNLGGFDDHZFY-SFHVURJKSA-N	373.884	4.606	50	20	FJGD	
N#C/C(=C/c1sc2ccccc2c1Cl)C(=O)NCc1ccccc1	744834094	DNBFYIOILMRZRC-UVTDQMKNSA-N	352.846	4.778	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2nc(C(C)C)n3ccccc23)c1C	762604915	OKFGTQDZGJQNMB-ATVHPVEESA-N	358.445	4.620	50	20	FJGD	
CC(C)(C)c1cc2c(O)nc([C@H]3CC[C@H](Br)C3)nc2s1	765980744	DJUYOAMEGLMZOY-IUCAKERBSA-N	355.301	4.725	50	20	FJGD	
COc1c(Br)cccc1/C=C(\C#N)C(=O)c1ccc(C)cc1	773916212	VKJCHACTZMFLSC-XNTDXEJSSA-N	356.219	4.556	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(-c2ccccc2Cl)o1	777467116	TZFRSQYHRDVZSB-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1cccc2c1CCCC2	779011452	JAXHHVFCWAOJJC-UHFFFAOYSA-N	368.452	4.591	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ncc(-c2cccc(Cl)c2)o1	785378229	MKTMNSVTHZRGOJ-SXGWCWSVSA-N	364.788	4.645	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(C2CC2)cnc1Cl	793704469	HPZRPGJFGXCOJS-UHFFFAOYSA-N	356.640	4.676	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	794942794	FRSWARSXCPAQSW-VIZOYTHASA-N	373.330	4.810	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2-c2ccnn2C)c(C)c1	801647033	AEMDUWNQJSIHAP-UYRXBGFRSA-N	370.456	4.558	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccccc3Br)sc12	809730282	HVQZDLMWAQPIME-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](c2ccccc2)C2CCOCC2)cc1	811480195	SUTKAKIXNQXJTF-JOCHJYFZSA-N	373.924	4.952	50	20	FJGD	
C/C(C=NNC(=O)c1c[nH]c2ccccc12)=C\c1ccccc1OC(F)F	811630276	XCBRRVZQRIJNCX-NBILBWJUSA-N	369.371	4.588	50	20	FJGD	
O=C(NN=C1CC(c2ccccc2)C1)c1ccc(COc2ccccc2)o1	814761989	IVZMCTVBWXADDS-UHFFFAOYSA-N	360.413	4.522	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1	817921225	NEKQBNAHHVMXKC-OUKQBFOZSA-N	364.367	4.651	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc3ncccc23)c1C	915167435	RRVQPOLDMCBYKE-AQTBWJFISA-N	359.429	4.576	50	20	FJGD	
N#Cc1ccc(CSc2ccccc2C(=O)NNc2ccccc2)cc1	120448630	YCPJZPMGYKGIEH-UHFFFAOYSA-N	359.454	4.607	50	20	FJGD	
Cc1noc(CCC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	183390410	VKYNLOGLYBNCEM-UHFFFAOYSA-N	357.304	4.607	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1)c1ccccc1	208392150	ADDAACDLCQGCKQ-WIZMWCRPSA-N	360.388	4.870	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1ccccc1Oc1ccccc1	211498545	OJMGGOMIKKAGMT-RGEXLXHISA-N	365.392	4.896	50	20	FJGD	
O=C(NNc1ccccc1)c1nc(-c2ccccc2)oc1-c1ccccc1	732265466	AUQBUDUWUCBPNF-UHFFFAOYSA-N	355.397	4.766	50	20	FJGD	
Cc1cccc(NNC(=O)c2cccnc2SCC2CCCCC2)c1	734547033	IGYWHRLEZQRLIB-UHFFFAOYSA-N	355.507	4.819	50	20	FJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)c1nc(-c2ccncc2)cs1	737444052	NLUQIYRPRVSJPN-NTUHNPAUSA-N	363.833	4.570	50	20	FJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	740763957	JTCNQXNVCNZKED-UVTDQMKNSA-N	367.330	4.799	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(F)c(C(F)(F)F)c1	752811713	RNXWSTBSLUOWJS-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cn(-c3ccc(F)cc3Cl)nn2)n1	755600411	IPPPYNBUWWTJMV-WZUFQYTHSA-N	373.844	4.704	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(Cl)nc2C)c1C	757967833	CKFPXMVFACHAFN-ZDLGFXPLSA-N	371.868	4.522	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772174881	DZCSWDXIFLHGGU-VIZOYTHASA-N	357.356	4.552	50	20	FJGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(N(C)C)cc1	773018424	VUWQQIWVAOOBAY-RHSMWYFYSA-N	352.569	4.644	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)C1CCCC1	781555134	CUTQQAASNDTTMX-SDNWHVSQSA-N	352.415	4.990	50	20	FJGD	
Cc1nc([C@@H](C)OC(=O)/C(C#N)=C\C2CC2)oc1-c1ccc(Cl)cc1	786675317	IAEURPVWPCUJRF-CDCQXCROSA-N	356.809	4.768	50	20	FJGD	
C[C@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn(C)c1	792548318	LISXNQACTDFXAS-VIFPVBQESA-N	355.332	4.820	50	20	FJGD	
C=CCOc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	803376541	GSYYTYPZZUXIRJ-QGZVFWFLSA-N	351.537	4.582	50	20	FJGD	
CCC1(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	831873674	ZQIVDSPSDLRVHB-UHFFFAOYSA-N	351.362	4.565	50	20	FJGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cccc(Cl)c1Cl	838348406	XEIIFDLITOHQGG-UHFFFAOYSA-N	355.269	4.616	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C/c1sc(Sc2ccccc2)nc1Cl	915355446	SGUASDKQVPYTKF-PKNBQFBNSA-N	362.863	4.584	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(-n2ccnc2)c(F)c1	918367879	RIUCIQQPUOEZSG-CQSZACIVSA-N	365.499	4.664	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)OC3CCCCC3)cs2)cc1	918736147	RMOBGUSSWGLMMK-WJDWOHSUSA-N	352.459	4.901	50	20	FJGD	
O=C(NNc1ccccc1Br)Nc1cccc2ccccc12	11007777	SAWNMOCZLSKGID-UHFFFAOYSA-N	356.223	4.751	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc(Cl)c1OC	57405848	LCPBQPGIFBSVEZ-NVNXTCNLSA-N	371.820	4.546	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(C(F)(F)F)n2)oc2ccc(Cl)cc12	155943684	XLABCBXXUPPLPJ-UHFFFAOYSA-N	369.730	4.565	50	20	FJGD	
Cc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)cn1	181329352	PGMHCOYRDPPVIQ-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
Cc1c(CSC(C)C)cccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	194689176	PGIXRZBFFPJPPN-WQRHYEAKSA-N	366.486	4.888	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1OCC(F)(F)F	255344819	MWMNQZWYCKBXBF-ZSOIEALJSA-N	355.356	4.549	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C	728286931	LMODWIOCCNUCLS-NTEUORMPSA-N	362.260	4.977	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)o1	732763608	MBPQNNGZSXBZAJ-UZLBHIALSA-N	374.440	4.599	50	20	FJGD	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNc1ccc(F)cc1F	733363263	SGBWCHJNAABNQR-SECBINFHSA-N	359.203	4.594	50	20	FJGD	
N#Cc1ccc(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1	748117412	AGQQREZMHIHITO-UHFFFAOYSA-N	373.378	4.532	50	20	FJGD	
CCN(Cc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1)C(C)C	748573634	HIHBYKFMNNMUCU-UHFFFAOYSA-N	365.521	4.553	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1nccc2sccc12)c1cccc(Cl)c1	749535680	AUOKPEUCMKPSQK-INIZCTEOSA-N	359.882	4.833	50	20	FJGD	
Cc1cc(OC(F)F)c(C(=O)NNc2cc(Cl)ccc2Cl)s1	752812513	GIZNBDBJMUARKM-UHFFFAOYSA-N	367.204	4.722	50	20	FJGD	
Cc1cc(C(=O)NN=C[C@@H](C)c2cccc(Cl)c2)c2ccccc2n1	763345419	IOMCFVSGIIKYJM-CYBMUJFWSA-N	351.837	4.716	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccc(Cl)c(F)c1	773493901	BMKYZINGZBZDLX-UHFFFAOYSA-N	350.821	4.551	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)c3ccc(OC(F)F)cc3)oc12	776256729	FTLVSDKSRYBJAP-GXDHUFHOSA-N	369.323	4.833	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)c1ccc(OC(F)F)cc1	776259222	FSLJFLPJWDSHLW-MDWZMJQESA-N	360.385	4.802	50	20	FJGD	
CCC1(CNS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777987234	BVYDBOLUQLQQKB-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
O=S(=O)(NCCC1CCC1)c1ccc(S(F)(F)(F)(F)F)cc1	782981145	AHMQFNQMRLQTQE-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)c1cc2ccccc2s1	788326565	FPAUSQMRJOBJFT-BOPFTXTBSA-N	359.454	4.686	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1	791733522	MXVMGKVYJUQPTL-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)c1nc(-c2ccc(C#N)cc2)cs1	794938382	OZMLFVCGXRDLCW-QPEQYQDCSA-N	365.364	4.730	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC)s2)cc1Cl	798231422	HMGHODOSKBJHCN-YFHOEESVSA-N	364.879	4.678	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)c3ncccc23)cc1	801186855	UBWVYDDQPKQSFF-UHFFFAOYSA-N	353.853	4.943	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1Br)c1ccccn1	811627662	WYHGZWXFCACRAR-XFFZJAGNSA-N	353.141	4.927	50	20	FJGD	
CCOC(=O)N(C)c1ccc(NC(=O)NNc2ccc(C(C)C)cc2)cc1	836327688	UBBFJJXEPNKARA-UHFFFAOYSA-N	370.453	4.551	50	20	FJGD	
N#C/C(=C/c1ccc(OCCN2CCCC2)cc1)c1nc(C2CC2)cs1	843265859	PXDWXYPLWOIEPW-AQTBWJFISA-N	365.502	4.559	50	20	FJGD	
CCCC(C)=NNC(=O)c1ccc(COc2ccc(OCC)cc2)cc1	915914271	MIEDJFXILSICJM-UHFFFAOYSA-N	354.450	4.570	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(COc3ccc(C)cc3C)o2)c1	919745954	MWBWSCVFEWHXEV-UHFFFAOYSA-N	364.445	4.849	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(/C=C\C(=O)O)o2)CC1	1776779071	NEIUDJTURUUUCD-WCVKEAJASA-N	355.434	4.850	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)c(Br)c2)c1C	7164423	CCVCWBMGYMJPMB-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(Br)ccc1Cl	120390311	PFDKJZWYAPWSJD-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	132480515	ZFVZQOXVXMSDMM-ZSOIEALJSA-N	361.228	4.685	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1OCCCC#N	171389679	FJYXCTWUSMRHHO-CPNJWEJPSA-N	374.440	4.785	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/C=C2/N(C)c3ccccc3C2(C)C)cc1	207829632	OLPHKIOERYYAAK-PQGBLILESA-N	357.457	4.695	50	20	FJGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccc(Br)cc1Cl	737431215	DSLYFVMBXVDVKT-NSHDSACASA-N	369.690	4.789	50	20	FJGD	
COc1ccccc1-c1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1	741457162	TYQIOGKCNPMIGS-UHFFFAOYSA-N	364.832	4.780	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C1=Cc2cc(Br)ccc2OC1	741474398	OQRIWOXROXTJLS-AZZDOICSSA-N	360.251	4.680	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H](C)c2ccc(Br)s2)c(C)c1	743764816	RQGPTCDAMNNPEJ-GFCCVEGCSA-N	367.312	4.683	50	20	FJGD	
O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cccc2cccnc12	747362377	ZROBHFPRFPCYBS-UHFFFAOYSA-N	367.408	4.791	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(Cl)cc1Cl	748743622	JENNXLXWJWJICM-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	749887400	WRZMDTUDYHFJLH-XNTDXEJSSA-N	363.804	4.849	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1nc(C(C)C)n2ccccc12	755626145	KLXYSSSTPBVQNZ-ATVHPVEESA-N	358.445	4.620	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2OC(F)F)c(C)c1	756783736	LLOSSULIKWCLJC-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	763611312	YIONDFXSYNDKPZ-RKDXNWHRSA-N	355.187	4.805	50	20	FJGD	
O=C(NN=CCSCc1ccccc1)c1c(Cl)cccc1Cl	774386422	YKSBAFSJIOHSCN-UHFFFAOYSA-N	353.274	4.642	50	20	FJGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNc1cccc(C(F)(F)F)c1	775760514	LAYNZMHTXMQOLD-GFCCVEGCSA-N	369.391	4.658	50	20	FJGD	
C=CCN(C1CC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782986302	FKUYQCHPTBRAHL-UHFFFAOYSA-N	363.373	4.683	50	20	FJGD	
CC(C)(COCc1ccccc1)NC(=O)CCCC[C@H]1CCSS1	799052115	DKDPEQMJGMONQP-KRWDZBQOSA-N	367.580	4.812	50	20	FJGD	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNc1cccc(Cl)n1	817012100	XSMWPOPQWAFWHN-CMDGGOBGSA-N	356.640	4.588	50	20	FJGD	
Cc1nc(SC(F)F)sc1CC(=O)NNc1ccc(C(C)C)cc1	837059318	RODNVNJTVMYIMM-UHFFFAOYSA-N	371.478	4.575	50	20	FJGD	
O=C(NC[C@H]1CCCCN1)Nc1cccc(S(F)(F)(F)(F)F)c1	841189067	DVWITRMEQYKGBT-LLVKDONJSA-N	359.364	4.608	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc3ccncc3c2)c1C	900767904	SLZFBAKETPGNTP-ODLFYWEKSA-N	359.429	4.576	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2)c1C	915990411	POERRSNLSQTQLS-WQRHYEAKSA-N	361.470	4.708	50	20	FJGD	
O=C(NN=Cc1c(F)cccc1Cl)c1cc2c(s1)CCCCC2	916370091	UMUULEVHYJVVLX-UHFFFAOYSA-N	350.846	4.573	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(-c2ccccc2)s1	1116648107	SKHKIIOSUNXFGC-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cnn(C)c3)cc2)c(C)c1	1325015205	KEAAVGQVOOGUGQ-RGVLZGJSSA-N	370.456	4.558	50	20	FJGD	
Cc1ccc(NNC(=O)c2cnn(C(C)C)c2-c2ccccc2)cc1Cl	1326308654	VUOMKBVUSZVARR-UHFFFAOYSA-N	368.868	4.850	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H]1C1CCOCC1	1551762132	LSKNMTPVVMMXRJ-AWEZNQCLSA-N	371.371	4.985	50	20	FJGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1	1776099073	OKGXIZIAUNJKTN-UHFFFAOYSA-N	364.445	4.587	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C)c1	6410989	OYXLUIPAYUDLKT-MHWRWJLKSA-N	369.262	4.920	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	96663542	YJMUNSPHPMVKQU-YFHOEESVSA-N	374.195	4.610	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)nc2ccccc21	109143692	FFCYYNVDAHKJAR-XYOKQWHBSA-N	359.763	4.892	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)c1c[nH]c2ccccc12	162393986	DBECOLNKLKAKML-GHXNOFRVSA-N	356.303	4.698	50	20	FJGD	
C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)NNc1ccccc1	176126406	QNBAUHLFRYZAQL-GFCCVEGCSA-N	357.866	4.512	50	20	FJGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1c(Cl)cccc1Cl	255034730	BZGZQJSAELYRTR-KHPPLWFESA-N	358.228	4.698	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)CCc1ccccc1O	729934899	CZNCEOQAGXAQNC-UHFFFAOYSA-N	364.445	4.564	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Cl)c1OC	730434445	MTYNRIUXZMQMKD-GDNBJRDFSA-N	370.836	4.520	50	20	FJGD	
CC(C)(C)c1ccc2cc(C(=O)NNc3nccc4sccc34)[nH]c2c1	734249012	GMRQTYGEAWOVAU-UHFFFAOYSA-N	364.474	4.832	50	20	FJGD	
CCO[C@H]1CC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C12CCC2	741163530	MBTNHXRTFHGFBG-SFHVURJKSA-N	372.465	4.619	50	20	FJGD	
Cc1ccc2c(CCC(=O)NNc3ccc(C(F)(F)F)cc3)c[nH]c2c1	747604626	FQXGIMZJBDESAF-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(-c3ncco3)c2)c1C	754218871	YKBRWINTZCGWDH-XDHOZWIPSA-N	374.444	4.716	50	20	FJGD	
O=C(COc1cccnc1)Nc1cccc(S(F)(F)(F)(F)F)c1	762753070	FBQJXNIKEJPTOK-UHFFFAOYSA-N	354.300	4.757	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)Nc1c(Cl)cccc1Cl	770567844	XQACQHWHUWMCBT-GHXNOFRVSA-N	360.175	4.550	50	20	FJGD	
CCCCCC(=O)Nc1ccc(-c2csc(/C(C#N)=C(/C)N)n2)cc1	806553383	NUQYGIDGZRUMEP-SSZFMOIBSA-N	354.479	4.542	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)C(=O)c1ccc2ncccc2c1	811628269	SHBBPXGGRXNUEG-GIDUJCDVSA-N	368.314	4.749	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)C)nc2onc(C)c12	812768381	QLCOVSRCOBKGEP-UHFFFAOYSA-N	366.465	4.843	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)[C@H]1CCCSC1	812861343	QNFRZZCXQFOAAJ-ZANVPECISA-N	369.861	4.988	50	20	FJGD	
CS[C@@H](C)CCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015438	CDAKFFHZVAFUNY-QMMMGPOBSA-N	374.350	4.699	50	20	FJGD	
Cc1csc([C@H](NC(=O)NNc2ccc(C(C)C)cc2)C(F)(F)F)n1	836704480	FJJHOIDRXFJTCK-ZDUSSCGKSA-N	372.416	4.505	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cnc(-c4ccccc4)nc3)n2)cc1	917142954	SAHUSZMYINRYDU-YBFXNURJSA-N	365.396	4.566	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(Cc3cccs3)o2)c1C	1322545373	KZZKGAOWAAWQGC-MHWRWJLKSA-N	352.463	4.614	50	20	FJGD	
N#Cc1ccnc(/C=C/c2ccc(OCCBr)c(Cl)c2)c1	1322874821	CGQXAVJUBRYBLQ-HNQUOIGGSA-N	363.642	4.551	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(Br)cn2C(C)C)cc1Cl	1323253059	PXOUJJSPTJIGEG-UHFFFAOYSA-N	370.678	4.550	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F	5771126	YCXAUBFCMDGUHD-FMIVXFBMSA-N	350.727	4.904	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC(F)F)c1C	209358947	KKFJDRCEOAGOGY-WJDWOHSUSA-N	373.403	4.662	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1	254929261	IEKHTTNEWADBBY-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(Nc2ccccc2)c1	588516104	UWKVTEJNHXLFQW-LGMDPLHJSA-N	355.397	4.681	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1Br	588580406	HKGPCVZRPSKYTD-ZSOIEALJSA-N	350.219	4.765	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1	732925830	GCTYTKYATMMXJJ-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc2c(Cl)cccc2s1	740137963	QSMGVOBHSQZQNK-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)c(C)n1Cc1ccccc1	748897805	HCRKLUNENIKZKP-UHFFFAOYSA-N	371.843	4.703	50	20	FJGD	
CC(C)CCn1cccc1C=NNC(=O)c1c(Cl)cccc1Cl	755697074	FCXYWIKXSYEPJA-UHFFFAOYSA-N	352.265	4.605	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)c1	759311707	PSRDENHFNRDZAI-UHFFFAOYSA-N	374.412	4.767	50	20	FJGD	
C[C@@H](CCN(C)C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762977602	DHJIYDZKGLSMNQ-JTQLQIEISA-N	361.380	4.806	50	20	FJGD	
CC(C)n1ncc2cc(NC(=O)NNc3c(F)cccc3Cl)ccc21	771156022	CLXXMZVCELHKEF-UHFFFAOYSA-N	361.808	4.558	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1C	772176808	QHRLTDASUWTTIO-QPEQYQDCSA-N	361.228	4.856	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1	775251004	CRWOMQIBHQVDGG-OAHLLOKOSA-N	371.790	4.637	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1ccc(C(C)(C)C)cc1	780803823	OSYGDLGKMCYNHH-UHFFFAOYSA-N	361.283	4.812	50	20	FJGD	
COc1ccc(SCCCC(=O)NNc2ccc(Cl)c(F)c2)cc1	780955930	RYDOPILUUDPSAP-UHFFFAOYSA-N	368.861	4.503	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC[C@H](C(F)(F)F)C2)cc1	783511254	DOVDZZCHXBAFFA-HNNXBMFYSA-N	370.415	4.950	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)NCc3cccc(C)c3)cs2)cc1	786056660	QDDCVEQZGRSZSK-ODLFYWEKSA-N	373.481	4.650	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CCCCC2=O)c(C)n1C1CCCCC1	786432751	YJAGGLKMKDUZNG-DILWRCETSA-N	368.477	4.572	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1nc(C(C)C)n2ccccc12)c1ccccc1	787176437	BSAIFWUXIMXRTG-ZSFFSCSXSA-N	372.472	4.632	50	20	FJGD	
Cc1nnc([C@H](C)NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)o1	792877009	GYRWDIKIKBDVKC-AWEZNQCLSA-N	361.562	4.751	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2nc3ccccc3cc2Cl)cc1	810980178	BWOZRWLCIYFVDA-UHFFFAOYSA-N	353.853	4.943	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1cc2ccccc2o1	834726108	NRVPYIBEUNZVPO-VOMPUTFMSA-N	373.408	4.780	50	20	FJGD	
CC(C)c1ccc(NNC(=O)Nc2nc(CC(F)(F)F)cs2)cc1	836706134	DQKIYNKWWZVSIA-UHFFFAOYSA-N	358.389	4.520	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(/C#N)C(=O)c3ccccc3F)c(Cl)nc21	873936941	CQTYMAJVECKLOG-QPEQYQDCSA-N	368.799	4.595	50	20	FJGD	
O=C(NN=C[C@@H]1CC=CCC1)c1ccc(NN=C[C@@H]2CC=CCC2)cc1	915903375	JWWYABOIIVTFPN-QZTJIDSGSA-N	350.466	4.513	50	20	FJGD	
O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccc(S(F)(F)(F)(F)F)cc1	1549983112	JXWGWZXHOCVAQM-KBPBESRZSA-N	371.371	4.889	50	20	FJGD	
C[C@@H](Sc1ccccc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	25592116	MERIECSQQVFASJ-UCXYNXEWSA-N	356.447	4.828	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C2SCCCS2)cc1	30612519	RFUKZABRORVWHV-UHFFFAOYSA-N	364.923	4.966	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccccc1OCc1cccnc1	44028407	NZLRXMQBXXMNCG-WOJGMQOQSA-N	360.438	4.820	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Cl)c1	59404880	IOOYTYJCHJJQOS-OQYWKCLKSA-N	368.201	4.509	50	20	FJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2[nH]1	112770327	DGNQEWDCGKJSDG-JYRVWZFOSA-N	373.397	4.659	50	20	FJGD	
O=C(CC1CCOCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	117127647	XKOXUAWNHITXCY-CQSZACIVSA-N	367.820	4.661	50	20	FJGD	
C[C@H](CC#N)Sc1ccccc1NC(=O)NNc1c(F)cccc1F	160041362	UJQQSPPSYPTUHT-LLVKDONJSA-N	362.405	4.508	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc([N+](=O)[O-])c1C	175625786	AFWRQKHVLJQPBG-UHFFFAOYSA-N	369.446	4.854	50	20	FJGD	
O=S(=O)(OCC(F)(F)F)c1cccc(S(F)(F)(F)(F)F)c1	186177221	RQUVHDVNIDVYHP-UHFFFAOYSA-N	366.251	4.612	50	20	FJGD	
CCOc1cnc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	189103897	BJRIGKCPSVDXMP-UHFFFAOYSA-N	369.315	4.785	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2F)c(C)n1CC(C)C	211676412	PWNZUSDZRVMSIO-PXNMLYILSA-N	357.404	4.585	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(OC)c1	726428880	PWOBPCFALLYLHG-GZQZNAIASA-N	367.420	4.935	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(-c2ccc(F)cc2)s1	728698134	DOFFGISMKKIJMF-BHQIHCQQSA-N	360.841	4.886	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CSC)c2)c1C	731586844	MVOKPGINMMLHHS-XDHOZWIPSA-N	367.518	4.924	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1	736433173	MQKNBCQGLOUJKR-UXBLZVDNSA-N	363.845	4.779	50	20	FJGD	
C[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1cccc(C#N)c1	745923674	VOVZQNRHOXOUBO-SFHVURJKSA-N	370.456	4.540	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)c1	748353712	RKJLUBQJENQYGE-UHFFFAOYSA-N	371.484	4.623	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	750802257	WOPGFCXOLGINCR-JOYAQPMTSA-N	370.855	4.789	50	20	FJGD	
O=C(NN=CC1CCC(C(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2	767367931	RMUFKWRFVKRKGH-UHFFFAOYSA-N	356.432	4.674	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c2ccccc21	769724514	ITVHRZQFPNVPNO-NTCAYCPXSA-N	354.413	4.636	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1	769837418	ZMZMLBUWJRYCOB-VXLYETTFSA-N	372.390	4.553	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1	771697426	QJEPUFHJYYIPIV-WBVHZDCISA-N	350.478	4.733	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)Nc1c(Cl)cccc1Cl	772807218	QGGJNQBFJDGAQH-KPKJPENVSA-N	360.175	4.550	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(N(C)C)cc1	773018430	VUWQQIWVAOOBAY-YOEHRIQHSA-N	352.569	4.644	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1	777464354	JSXBOULSIFXHGN-ACCUITESSA-N	371.362	4.800	50	20	FJGD	
COc1cc(NNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)ccc1Cl	790168502	MCLGMLPGBMEEMY-ROUUACIJSA-N	366.848	4.749	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3cc(Cl)cc(Cl)c3)c(C)c2c1	791733478	UOFZTZXJVNWSST-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1OC	809146567	QRHUDROHKGVFOD-VCHYOVAHSA-N	365.429	4.509	50	20	FJGD	
COC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(Cl)c1	809235235	VVKCDRMDBLYYQR-HZPDHXFCSA-N	373.971	4.858	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)c1cccc(Cl)c1	810218326	IHCXOTNBMSMGPH-MLPAPPSSSA-N	360.196	4.554	50	20	FJGD	
O=C(Nc1ccc(NCc2ccc(OCCCCl)cc2)cc1)C1CC1	811468147	FCRXMJGBYFNLNY-UHFFFAOYSA-N	358.869	4.655	50	20	FJGD	
NC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179983	VKOAZXQXFKJBRN-MFKMUULPSA-N	373.391	4.983	50	20	FJGD	
Cc1cccc(OCCCNC(=O)CCCC[C@@H]2CCSS2)c1	849198257	NOFUOBSSRVGIPD-QGZVFWFLSA-N	353.553	4.594	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)CC)cc2)c1C	855168487	DJXSKEYSQSQPOF-UYRXBGFRSA-N	364.445	4.620	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CCC[C@@H](C(=O)O)C2)c1	1776269149	VNZWEZUALYQOEF-IAGOWNOFSA-N	363.574	4.804	50	20	FJGD	
CC(C)[C@@H](CC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776302565	BHIKCVQOGQSGQS-QGZVFWFLSA-N	351.563	4.660	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(OCc2ccncc2)cc1	44028401	IJRFOEDVDBEGNE-LDADJPATSA-N	360.438	4.820	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(C2CC2)nc2ccc(F)cc12	79440643	XHMAPVWPNYLYRY-UHFFFAOYSA-N	355.800	4.662	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1	102598698	KAFKQHUYXZZIEX-BOPFTXTBSA-N	350.805	4.812	50	20	FJGD	
CCSc1ccc(Cl)cc1NC(=O)c1c(C)nn(CCCl)c1C	114266690	JJAMRKSWLSXEPS-UHFFFAOYSA-N	372.321	4.756	50	20	FJGD	
Cc1cccc([C@@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)n1	167027373	AKMRBAYYUSTXNU-RDJZCZTQSA-N	350.553	4.768	50	20	FJGD	
COc1ccnc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	186087861	HGGUSULCSRYOHL-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	189378426	OXHHEOFSAOPALW-MNOVXSKESA-N	360.348	4.625	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1OCC	212696127	XSEKKUKMFOZGTM-ATVHPVEESA-N	353.393	4.803	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(-c3cnco3)cc2)c1C	221603622	DSTAERKGBWLHDF-YBFXNURJSA-N	374.444	4.716	50	20	FJGD	
Cc1ccccc1OCCN(C)C(=O)CCCC[C@H]1CCSS1	302852627	ZMSWKSQQNPMXOU-INIZCTEOSA-N	353.553	4.546	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(Oc2ccccc2)c(F)c1	728698793	OZMXRSMRKSRTJC-SOFGYWHQSA-N	370.811	4.949	50	20	FJGD	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccc(C)s1	729822926	DYOFUPSFYAEXME-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(OC(F)F)c1	734096019	VHUZEDLATCCJNK-NTUHNPAUSA-N	363.747	4.740	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)s2)cc1	734306988	UMFHPLCNQQHIRM-BOPFTXTBSA-N	359.454	4.973	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2[nH]c3c(c2c1)CCCCC3	734552625	IFUGFOMTXBMUJW-UHFFFAOYSA-N	373.378	4.611	50	20	FJGD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CCCC[C@H]1CCSS1	735662667	HBRXNWNVSZTSAJ-YQQAZPJKSA-N	359.601	4.658	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1ccc(C(F)(F)F)cn1	754313032	WBKNGFBDWAPTIJ-CHWSQXEVSA-N	363.383	4.533	50	20	FJGD	
CC[C@@H](CC(=O)NNc1c(F)cccc1Cl)c1ccc(OC)cc1	770202690	VJKJBYOHOXEPTR-LBPRGKRZSA-N	350.821	4.515	50	20	FJGD	
Cc1cc(NC(=O)CCCC[C@@H]2CCSS2)nn1-c1ccccc1	772873044	SYIUGCUBNDCQOW-MRXNPFEDSA-N	361.536	4.833	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@H](C)[C@H]3C)s2)cc1	781124070	UNDJFGGINJSZPR-QWHCGFSZSA-N	371.506	4.548	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)c1ccccc1OC(F)F	782197219	QBCFNYXWXKTHEK-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
CC(C)(C)[C@@H](CO)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792876542	OBBPKNKLWWGRDS-GOSISDBHSA-N	351.607	4.705	50	20	FJGD	
N#C/C(=C\c1cscc1Br)C(=O)c1c[nH]c2ccccc12	794685691	JEVNVKVFYXUPNC-BJMVGYQFSA-N	357.232	4.782	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)c1ccccc1	794689992	VXFQZEVBMJLYCP-MHWRWJLKSA-N	367.330	4.681	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2cccc3cccnc23)cc1	817009020	RIGLGCDWQWDSBJ-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H]2NCC[C@H]21	868145237	NFYUGXUXHKHCEF-QWHCGFSZSA-N	371.375	4.702	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2cccc(Cl)c2)cn1)c1ccccc1	916163931	HUBQZYRZMVRXET-CQSZACIVSA-N	367.836	4.632	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)o1	255711057	KOXQETQZACYCNY-NQFXMWKNSA-N	371.234	4.711	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccc1	727264517	UZFINQDHTAKROW-WQLSENKSSA-N	350.727	4.904	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc(C)c1OC(F)F	732716197	KNDCTKBMOYSJLM-LFIBNONCSA-N	362.420	4.603	50	20	FJGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1c(Cl)cccc1Cl	734246870	LMYZOIDEZQNGJK-VIFPVBQESA-N	366.273	4.850	50	20	FJGD	
Cc1nc(NC(=O)NNc2c(F)cccc2F)sc1-c1ccccc1	735680209	SJVUTNIVUSIITG-UHFFFAOYSA-N	360.389	4.545	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)c1ccncn1	758916246	QEXQFEMVIDTSNE-KAMYIIQDSA-N	363.852	4.677	50	20	FJGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)ccc21	773163807	ZBSCUEIKJAICDU-MLPAPPSSSA-N	373.309	4.521	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cc(Br)c(Cl)s2)ncn1	773177806	YNDMALPRCUCORS-UQCOIBPSSA-N	372.700	4.740	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(Oc2ccncc2)c1	775616656	CZAXXYDZHFPWIT-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)c1c[nH]c2cc(F)ccc12	789127847	MUZBGCYWBZEPMJ-WDZFZDKYSA-N	363.373	4.813	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CCC2(CCCCC2)O1	791183221	ZIFXOPRAUHJGKO-CVEARBPZSA-N	357.585	4.699	50	20	FJGD	
N#Cc1cnccc1/C=C\c1ccc(OCCBr)c(Cl)c1	794716373	ZUMSJYQTKSRUJI-IWQZZHSRSA-N	363.642	4.551	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccc2ncccc2c1	794886071	YPDXHVXNANCAJS-WJDWOHSUSA-N	368.421	4.543	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1OC	797399961	YJHJEHNEFKHXSK-QPEQYQDCSA-N	358.463	4.531	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CC(c2ccccc2)C1	814754071	IRQMMVBHMMJXQB-UHFFFAOYSA-N	361.470	4.782	50	20	FJGD	
Cc1ccc(NNC(=O)CCCCC(=O)c2ccc(F)cc2)c(Cl)c1	836936181	DEVZUFZKOIPKDS-UHFFFAOYSA-N	362.832	4.674	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)F)ccc1OCc1cccs1	840734922	KXRJPEFBGMPJAK-ZROIWOOFSA-N	359.422	4.560	50	20	FJGD	
N[C@H]1CCC[C@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841189995	KYUWMLNHKVZHJK-UWVGGRQHSA-N	359.364	4.735	50	20	FJGD	
N#C/C(=C\c1cc(Br)cc2c1OCC2)c1nc(C2CC2)cs1	843264421	IBSKDELWTITZPH-WLRTZDKTSA-N	373.275	4.782	50	20	FJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccccc2C)c(C)c1	865505893	VOQRDVWFHUXQIP-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
CC(C)Oc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)cc1	915070271	MBKBCNXPQREYQS-SFHVURJKSA-N	367.580	4.847	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C2/COc3ccc(F)cc32)cc1	918154844	QIYPXXBQIZYGES-LTFJSZEESA-N	350.393	4.647	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c(C)c1	60694084	CNYIVUMSUOBAHV-QGOAFFKASA-N	363.461	4.741	50	20	FJGD	
N#CC(=C/c1ccc(F)cc1)/C(O)=N/c1nc2ccccc2nc1Cl	68786555	DPTIFNBPHVWDMF-XFXZXTDPSA-N	352.756	4.617	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)ccc1OC	98008694	MCFYOPWDYCPDSL-ZSOIEALJSA-N	364.376	4.504	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1nc(-c2ccsc2)no1	104222199	GZTCOBUONBGCHG-GFCCVEGCSA-N	370.521	4.555	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1cc(Cl)sc1Cl	127223155	XYKPRLKVGDJVRJ-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OC	205590967	DUHIIUMHRJUTRM-LGMDPLHJSA-N	361.445	4.825	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	726430214	QKLMZZNODXBCMZ-BRLDDBHUSA-N	370.456	4.516	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCc3ccc(C)cc32)c1C	730190492	CPBADELAVHKRSO-IMEWXKHHSA-N	361.489	4.534	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OCC)c1	741468008	BZEVXSCVODETNX-NCPSJORJSA-N	369.383	4.939	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1Br	746392669	FDGQMUXXOBGYLL-UVTDQMKNSA-N	352.235	4.708	50	20	FJGD	
CC(C)CCN1CCC(CNC(=O)CCCC[C@H]2CCSS2)CC1	750860981	RZLKYLLNQYFXAN-SFHVURJKSA-N	372.644	4.575	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1)c1ccccc1	761392826	PTNPCDZRVLBPGT-VSXLWIIGSA-N	350.365	4.551	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl	761394769	WOAXPHPBFITIRW-GHXNOFRVSA-N	374.202	4.858	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1SCCc2sccc21	763614215	AONPFIYXJHCPGH-CYBMUJFWSA-N	359.303	4.529	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc3[nH]ccc3cc2C)c1C	781539595	QLKVOKNYMRSUQO-ODLFYWEKSA-N	360.461	4.850	50	20	FJGD	
N#C/C(=C\c1cncc(Br)c1)C(=O)c1cc2ccccc2s1	788326647	GDAKMKHAKKTXOK-WLRTZDKTSA-N	369.243	4.849	50	20	FJGD	
CCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)cnn1C(CC)CC	791714784	BMHDZVVGAVYCIA-UHFFFAOYSA-N	369.296	4.870	50	20	FJGD	
CC1(C)Cc2cc(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)ccc2O1	794883546	BVDUMEBMAQNNMU-YBFXNURJSA-N	354.409	4.738	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c(-c2cccs2)n1	797398703	JQXRKRZGAJZINM-XYOKQWHBSA-N	354.504	4.967	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3ncc(C(C)(C)C)s3)s2)cn1	800790926	BHKWWFMXYFPMBC-KPKJPENVSA-N	354.504	4.967	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCC[C@@H]2CCCCC2=O)c1C	813960228	LWTXCBACSIOLSF-HJHGFDQJSA-N	370.493	4.505	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc(C3CC3)nc3ccc(C)cc23)cc1	817904843	SUWIABZEZOAEFC-UHFFFAOYSA-N	361.445	4.576	50	20	FJGD	
CC[C@H](NC(=O)NNc1cccc(Cl)c1Cl)c1nc(C)cs1	838317643	VXZOHYNHTCAETP-JTQLQIEISA-N	359.282	4.536	50	20	FJGD	
CCCCn1nc(C)c(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1Cl	916132125	VOAOSPJUCUPGFJ-RVDMUPIBSA-N	367.840	4.759	50	20	FJGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)o1	18908516	HUWBEXDNWDJSOQ-SDNWHVSQSA-N	373.250	4.532	50	20	FJGD	
CCN(C[C@H](C)C#N)C(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186152434	WSYYCUQOYZWKQR-LLVKDONJSA-N	371.375	4.764	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)ccc1OC(F)F	588425011	WFERRFHYMGURHA-POHAHGRESA-N	369.776	4.801	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(COC)c2)c1C	733074079	JIEAFKIHMYTCCR-DEDYPNTBSA-N	366.461	4.564	50	20	FJGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccc(COc2ccccc2)o1	737423139	PYHPQLNTBONGDI-MRXNPFEDSA-N	352.434	4.545	50	20	FJGD	
Cc1ccc(O[C@H](C)CNC(=O)CCCC[C@H]2CCSS2)cc1	742717995	KLFDTFULFAYTLP-WBVHZDCISA-N	353.553	4.593	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1ccc(-c2ccco2)s1	748019394	FAKHNURMJOFMEC-UHFFFAOYSA-N	363.236	4.528	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(F)c2)cc1	754681150	ZCMBHIPRTCXQOR-ZROIWOOFSA-N	360.335	4.535	50	20	FJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C/C#N)c2ccccc2)CC1	772378642	OFJCGTYHLRUJHB-CIAFOILYSA-N	356.473	4.800	50	20	FJGD	
CC[C@@H]1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777999073	JMKXXGLOFZLAIP-SNVBAGLBSA-N	365.389	4.765	50	20	FJGD	
C=CC[C@@H](C(=O)NNc1ccc(Br)c(C)c1)c1ccccc1	779012761	VRONLZMUBGXHIY-MRXNPFEDSA-N	359.267	4.561	50	20	FJGD	
Cc1occc1-c1cc(NC(=O)NNc2cc(Cl)cc(Cl)c2)no1	786220202	XQVXMUDRLFIILX-UHFFFAOYSA-N	367.192	4.698	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(C)(C)CCC#N)c1C	798876599	XWGFUHWNYBBNDN-UYRXBGFRSA-N	355.482	4.685	50	20	FJGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	799111206	PATKUSGIHJLHTH-ZDUSSCGKSA-N	359.832	4.626	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	810203176	GRVKPZUDIDMPLF-WOJGMQOQSA-N	356.429	4.548	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1	812876366	LMDWTWBELJKNMF-HXUWFJFHSA-N	371.601	4.852	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1	817889810	MOAQOTVEGFXDHI-HZPDHXFCSA-N	365.260	4.639	50	20	FJGD	
COc1ccc(C(=O)NN=C(C)CC(C)(C)c2c[nH]c3ccccc23)cc1	1321668514	IQYZJDMMYTUVEC-UHFFFAOYSA-N	363.461	4.650	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	6628469	FBUQSRXRQQIERR-WOJGMQOQSA-N	356.429	4.548	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ncc(Cl)cc1Cl	132836750	MKFATYSAWWUWBU-UHFFFAOYSA-N	356.278	4.646	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1	134559329	KBLSWVMFGFSDQX-UHFFFAOYSA-N	371.462	4.695	50	20	FJGD	
COc1ncccc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186065095	WXUOOBKTODUKNK-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1OC(F)F	255081689	SNBJXRWNHDOBDU-SDQBBNPISA-N	350.390	4.941	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(N(C)C(C)C)nc3)c[nH]c2c1	588577939	LMZJDMQETPTSLQ-YVLHZVERSA-N	358.445	4.506	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc1C	741475367	YYZLYOZVSDYOMY-YBEGLDIGSA-N	368.462	4.723	50	20	FJGD	
CCCc1ncc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)s1	741880372	JAEMAWLFZNTXJH-UHFFFAOYSA-N	364.685	4.813	50	20	FJGD	
CCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C\c1ccc(OCC)cc1	745844407	SSCXDLHMOFJQGV-RGEXLXHISA-N	366.436	4.570	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-c2ccc(F)cc2)s1	746708830	BPKUSKIACLACDW-UHFFFAOYSA-N	366.339	4.728	50	20	FJGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)c1c(Cl)cccc1Cl	747750920	GDODPJYGRBOSIW-UHFFFAOYSA-N	370.239	4.819	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2nc(C(C)C)n3ccccc23)c(C)c1	755625908	IBGVWOFKEFVIIT-LDADJPATSA-N	372.472	4.929	50	20	FJGD	
Cc1nc2ccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc2s1	762215440	VDLMNOIZXAKPHS-UHFFFAOYSA-N	370.236	4.808	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1C#N	766288884	MXFCEJHXXLEGJY-RIYZIHGNSA-N	356.212	4.719	50	20	FJGD	
N#C/C(=C/c1ccc(SCc2ccccc2)cc1)C(=O)NCc1ccco1	771842430	SDPIOECGEAJWJU-UYRXBGFRSA-N	374.465	4.795	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1OCC	772180555	ZISAUDXBAXYKHA-GZTJUZNOSA-N	353.393	4.803	50	20	FJGD	
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)c1cc(SC)ncn1	773170073	CMDHNXUKSROAHM-WOJGMQOQSA-N	359.454	4.938	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)nn1C1CCCCC1	776481594	HRJOEJUDRJCZLY-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
COc1ccc2cc(/C=C\C(=O)NNc3ccc4ccccc4n3)ccc2c1	777465896	VGCJKTUCGGTNFD-QPEQYQDCSA-N	369.424	4.553	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc3ccccc3c2)cc1	787154383	JIQNVDGIKZTYHB-AKGOGDBKSA-N	356.425	4.633	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1)c1ccccc1	787177930	JKNNKYOMJCQRNL-MTGKDYNDSA-N	357.413	4.516	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)C(=O)C1CCCCC1	789142240	IZSPHIKCRDUDCO-GZTJUZNOSA-N	353.853	4.641	50	20	FJGD	
CSSCCNC(=O)c1sc2cccc(Cl)c2c1Cl	791113612	KQHQLFZNQAHDFH-UHFFFAOYSA-N	352.333	4.949	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(F)c3ccccc23)cc1C(F)(F)F	795150398	IUGDUJDTWBFPMI-UHFFFAOYSA-N	373.309	4.626	50	20	FJGD	
Cc1nc(-c2ccccc2NC(=O)NNc2c(F)cccc2F)cs1	797668669	XOFZEDDJALSRND-UHFFFAOYSA-N	360.389	4.545	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c2ncccc12	801231473	ZAGXKWUSIPIQOZ-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
COc1ccccc1-c1cccc(NC(=O)NNc2cccc(Cl)n2)c1	814637334	VLAWUCALBXTQLA-UHFFFAOYSA-N	368.824	4.559	50	20	FJGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1cccc(Cl)c1	834733565	NZNMVJAGKQRRCM-OWMRDYPQSA-N	367.832	4.688	50	20	FJGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)c1cc2ccccc2cc1O	834919472	VDMFXJAHNRHHPM-UHFFFAOYSA-N	366.461	4.533	50	20	FJGD	
Cc1nc(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)c(C)o1	839235424	HFXBORVVONDFLX-CYBMUJFWSA-N	364.776	4.763	50	20	FJGD	
COC(=O)[C@H](C)c1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	839821379	RTLRQJVKVNGYMU-CJNGLKHVSA-N	367.536	4.616	50	20	FJGD	
C[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)c1nnnn1C1CC1	842161919	GQRVXCQMZNKVCG-SECBINFHSA-N	369.363	4.516	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(-n4cncn4)cc3)n2)cc1	844152449	RSRHUSMNKPQXTC-VCHYOVAHSA-N	369.453	4.763	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3ccccc3[N+](=O)[O-])c(Cl)c12	871020377	AKXWKFJWAXFJFI-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
CN(C)c1nc(C(F)(F)F)ccc1/C=C(\C#N)c1nc(C2CC2)cs1	899345093	FLGDGYLDHQRASJ-KPKJPENVSA-N	364.396	4.564	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1	912634663	SCMUZUATUUGNGQ-UHFFFAOYSA-N	373.478	4.798	50	20	FJGD	
CC(C)c1ccc(SCC(=O)/C(C#N)=C2/Nc3ccccc3N2C)cc1	913613397	VMOAMDKKDAQBDU-FXBPSFAMSA-N	363.486	4.768	50	20	FJGD	
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNc1cccc(Cl)c1	917005986	LDCCTNHSLVOSCN-SECBINFHSA-N	359.640	4.557	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)c(C)n1Cc1ccco1	1117852596	JVLQDTZLMAJMDM-UHFFFAOYSA-N	351.450	4.627	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)o1	1318565135	XIWLSQIRSQUKOK-SDNWHVSQSA-N	370.387	4.984	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)c1	7158525	QSKJHQMIDNBTQQ-XDHOZWIPSA-N	359.429	4.600	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2csc(-c3ccccn3)n2)cc1	128046887	LRUKZJVISSEAOP-ATVHPVEESA-N	359.454	4.947	50	20	FJGD	
CN1CCc2cc(/C=C(/C#N)C(=O)Nc3c(Cl)cccc3Cl)ccc21	129717649	NZXJPEBQHSSDKV-UVTDQMKNSA-N	372.255	4.531	50	20	FJGD	
N#CCCCCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	171367058	JWXQGOVAXBCAKU-GFCCVEGCSA-N	365.808	4.721	50	20	FJGD	
O=C(CCCCc1c[nH]nn1)Nc1cccc(S(F)(F)(F)(F)F)c1	183994463	QNSHRBJUNXFUOG-UHFFFAOYSA-N	370.347	4.814	50	20	FJGD	
C[C@H](O)C[C@@H](C)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184427168	KAUCOPAEYWCZFH-ZJUUUORDSA-N	362.364	4.873	50	20	FJGD	
CCC(=O)N1CC[C@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	186053568	QLBXXIMAKQODTH-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192255381	ZIKQMQUYGLYTQP-QWRGUYRKSA-N	360.348	4.625	50	20	FJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	205666127	KCPDUSBIYRIBES-JQFNYASXSA-N	363.417	4.503	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1Cl	206382362	BKPWQHAOAAJBLH-XFXZXTDPSA-N	366.726	4.784	50	20	FJGD	
N#C/C(=C/c1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	213156070	VKJSXCQIJAACTR-GHXNOFRVSA-N	372.660	4.985	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)c2cccs2)c(C)n1CC(C)C	735017746	MPPKNRBCLWWBEC-WOJGMQOQSA-N	369.534	4.781	50	20	FJGD	
N#C/C(=C\c1occc1Br)C(=O)Nc1cccc2ccccc12	735303855	ACEMWTQZMJXDEA-JLHYYAGUSA-N	367.202	4.741	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ncccc2Cl)cc1F	735332101	UNSKVXUZECJHQJ-UHFFFAOYSA-N	373.790	4.746	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)Nc1ccc(Cl)cc1Cl	743805748	NWRXYDCBVVKKRM-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
O=C(CCc1ccc(Cl)c(Cl)c1)NNc1cccc2cnccc12	748769551	KNWRPNHQEGUHQG-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
N#C/C(=C/c1ccccc1C#N)C(=O)Nc1ccccc1Oc1ccccc1	755571810	FKAXOKWIJKMDEX-RGEXLXHISA-N	365.392	4.896	50	20	FJGD	
O=C(NN=C/C=C/c1ccc(F)cc1F)c1c(Cl)cccc1Cl	758108566	OOORULNAPQQECD-SBPMFGKCSA-N	355.171	4.701	50	20	FJGD	
CC(C)Cn1ncc(C(=O)NNc2ccccc2Cl)c1-c1ccccc1	760463541	SMSFNEWEIDMXGN-UHFFFAOYSA-N	368.868	4.616	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(O)c2F)c(C)n1CCC(C)C	762318836	MKNZBBGWBLVAER-BOPFTXTBSA-N	369.440	4.541	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-c2ccco2)s1	767861617	CLQPGCFQCVVNKO-UHFFFAOYSA-N	352.337	4.784	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773143913	GMDXUJOAOVXRSO-NVNXTCNLSA-N	363.310	4.781	50	20	FJGD	
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	773601160	FCLOZTJNSYKUFF-MWLCHTKSSA-N	372.359	4.587	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(Cl)s1	783687694	OKEVGXCBZQDVFS-YHYXMXQVSA-N	366.225	4.616	50	20	FJGD	
C/C(C=NNC(=O)c1ccc(Cl)nc1)=C/c1ccccc1C(F)(F)F	799875893	GAAVKBYKYCFMNG-NISAGPHZSA-N	367.758	4.573	50	20	FJGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2nccnc2C2CCC2)c1	805468403	QOWRMBYWKPLIDU-UHFFFAOYSA-N	374.444	4.602	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)c1cc(C(F)(F)F)ccn1	812248158	FVKIAJUHIHDXJO-OQFOIZHKSA-N	359.170	4.989	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(Cc2ccccc2)CCOCC1	833105300	DOQJSPJAWMQKHQ-UHFFFAOYSA-N	366.505	4.601	50	20	FJGD	
CCOC(=O)[C@@H](CC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	839726163	NLMAYGXUPHCLNB-NSHDSACASA-N	361.332	4.872	50	20	FJGD	
CC1(C)CNCC[C@@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178116	AGNMMVVACOADGI-LBPRGKRZSA-N	373.391	4.854	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCn1nc(C)cc1C	901851133	RWMGMNRJDSGVRB-UHFFFAOYSA-N	370.522	4.617	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccoc1C	916129424	ISSYDNALSOFUDF-YBEGLDIGSA-N	365.820	4.585	50	20	FJGD	
O=C(NN=Cc1ccc(-c2nc3ccccc3s2)o1)NC1CCCCC1	916299541	PBAXWAAEZUQNHY-UHFFFAOYSA-N	368.462	4.522	50	20	FJGD	
Cc1cc(C)c(C=NNC(=O)c2sc(-c3ccccc3)nc2C)cc1C	916349681	RDECWSYJLJDQCJ-UHFFFAOYSA-N	363.486	4.808	50	20	FJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C)c2ccc3ccccc3c2)cc(C#N)n1C	920154566	PTEBQINIGZRLRE-BTZNOAQDSA-N	369.424	4.570	50	20	FJGD	
C=CCCO[C@@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	921151426	WONIDRHOKDNQFE-IINYFYTJSA-N	367.820	4.826	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	1320665586	DXBZXAVTGBZFRW-DEDYPNTBSA-N	351.409	4.506	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1c[nH]c2cc(F)ccc12	44026997	ILGMBUUGFUXVAM-KPKJPENVSA-N	374.400	4.615	50	20	FJGD	
CC1(C)Cc2cc(/C=C(\C#N)c3nc(-c4ccncc4)cs3)ccc2O1	171510824	IBRNLDAXEJJZDF-LICLKQGHSA-N	359.454	4.983	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccnc(SC(C)(C)C)c1	183130450	JFGRNTUFQJASCW-UHFFFAOYSA-N	366.490	4.586	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)s1	729849667	NILJTDVQQFFRJL-KAMYIIQDSA-N	363.398	4.545	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)c2ccc(F)cc2O1	742091961	KJNVOXHESTVMJZ-TZMCWYRMSA-N	355.500	4.654	50	20	FJGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H](C)c1nc2ccccc2s1	748788073	MOFZHUYRVLGPNC-SNVBAGLBSA-N	373.865	4.565	50	20	FJGD	
O=C(CCCn1ccnc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	753626743	RBMVFFFEVJQFFN-UHFFFAOYSA-N	355.332	4.959	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c2c(c1)C[C@H](C)O2	773161126	AUYGQCKQMPMDHD-RZBIUYHXSA-N	371.795	4.601	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)c1cc(SC)ncn1	773177724	XHIBZFSXIRIIMQ-KMKOMSMNSA-N	352.246	4.578	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCC3(CCCO3)CC2)cc1	788015405	VEQMWUOKXDOGEF-UHFFFAOYSA-N	372.509	4.855	50	20	FJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1cc(Cl)cc(Cl)c1	791727610	AVJDFUMZMYHBOD-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2F)c1C	794952220	HASBBEQQPIBLRE-ZROIWOOFSA-N	357.404	4.680	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1	799037682	NAFWMUXWTHAECM-LUJRCDHRSA-N	366.486	4.592	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1	799591282	GTHCHAOBOXZGTR-OAHLLOKOSA-N	364.449	4.600	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(C)c1OC	806554054	IRQPWOLJHAGGSL-AQTBWJFISA-N	372.424	4.711	50	20	FJGD	
N#Cc1c(COC(=O)CCCC[C@@H]2CCSS2)cn2ccccc12	818006622	YTLLZPATFRIPTO-OAHLLOKOSA-N	360.504	4.568	50	20	FJGD	
N#C/C(=C/c1ccc2oncc2c1)C(=O)Nc1cc(Cl)ccc1Cl	821028855	XWOJMEYCDUPPLU-WZUFQYTHSA-N	358.184	4.680	50	20	FJGD	
CC(=O)c1cc(C(=O)NNc2ccc(C(C)C)cc2)ccc1OC(C)C	848976451	LOENCPWKVNPJNF-UHFFFAOYSA-N	354.450	4.557	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccc(F)c(Cl)c3)cc2)cn1	1322454423	ALTYPRDIJKPGLJ-LZYBPNLTSA-N	365.795	4.669	50	20	FJGD	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)c2ccccn2)cc1	89404650	DVPMKKAOXUBTJI-ZHZULCJRSA-N	370.408	4.511	50	20	FJGD	
Cc1ccncc1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181325754	KKZJVJDMLZWSRA-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(N(C)CCC#N)cc3)c[nH]c2c1	194336643	LJDQZIJVYZZBAS-QGOAFFKASA-N	368.440	4.616	50	20	FJGD	
Cc1c(C[S@](C)=O)cccc1NC(=O)CCCC[C@@H]1CCSS1	265310141	DYNPUNLHWHZADA-CMJOXMDJSA-N	371.593	4.526	50	20	FJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1nc(-c2ccncc2)cs1	744857196	IJCNKHZTYJCYQP-KFGDLTOCSA-N	372.453	4.697	50	20	FJGD	
C[C@H](C(=O)NNc1cccc2cnccc12)c1ccccc1C(F)(F)F	748763021	NQFADMJYRARHTN-LBPRGKRZSA-N	359.351	4.500	50	20	FJGD	
C[C@H](Cn1cccn1)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981781	UFKNVGBPDFPKBP-SNVBAGLBSA-N	370.347	4.751	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1COc2ccc(Cl)cc21	762192446	RMJDVDYGQNJPHP-TZMCWYRMSA-N	357.928	4.604	50	20	FJGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1c(F)cccc1Cl	770197417	TZTWZHPSEQOCSS-UHFFFAOYSA-N	357.816	4.550	50	20	FJGD	
C[C@]1(C2CC2)NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771861106	NUKUAIRKLXICHZ-CYBMUJFWSA-N	356.316	4.569	50	20	FJGD	
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1	772795560	BJAFHDJTROCRAJ-BJMVGYQFSA-N	357.778	4.628	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)c1ccc2ncccc2c1	794883900	DUUZYNRGBPLZHT-CXUHLZMHSA-N	350.324	4.626	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccoc2)cc(C)c1OCc1ccccn1	798231228	XAEMHJHNXROQKD-ODLFYWEKSA-N	358.397	4.660	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1cc(F)c(C(F)(F)F)cc1F	804565095	XOFPGFBNVWYPDT-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc1F	810250729	PJRVLNYQSBXYSP-WMZJFQQLSA-N	356.706	4.966	50	20	FJGD	
N#C/C(=C/c1ccc(OCCCCl)cc1)c1nc(-c2ccccc2)no1	811688896	SWQGPBKDKGLIGX-LGMDPLHJSA-N	365.820	4.808	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c1	857490347	MDSASBUGPGICMF-UHFFFAOYSA-N	350.443	4.681	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(C)n1C1CCCCC1	875820546	RNUQWOYNDVWFGM-WJDWOHSUSA-N	354.479	4.612	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)c1nc(-c2ccc(C)cc2)no1	917622022	MHVODOIPSIKPPV-DHDCSXOGSA-N	351.793	4.771	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cs2)cc1	918712842	GDIRLEZNVYDHEO-JJBLJPBOSA-N	373.481	4.903	50	20	FJGD	
C[C@@H](CC[S@](C)=O)NCc1cccc(S(F)(F)(F)(F)F)c1	921831184	VDCTVJKNSQFKAF-FVINQWEUSA-N	351.406	4.591	50	20	FJGD	
CCO/C=C(\C#N)c1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1	1325768901	DYZKIEHBMNQDGE-CMPYXILNSA-N	357.479	4.850	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3cc(C)cs3)o2)c1C	1331827037	NIZZKALLUKPNKC-CXUHLZMHSA-N	352.463	4.999	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)ccc1O	44028230	GLRGRQJCAVRDNQ-XYOKQWHBSA-N	362.212	4.888	50	20	FJGD	
CSc1ccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1	57547930	RUIZZDBCGIPMCJ-JYRVWZFOSA-N	353.472	4.800	50	20	FJGD	
COc1ccccc1-c1ccc(C(=O)/C=C/c2cnn(CCCl)c2)cc1	125546738	WGFNBIOKVQVLOP-IZZDOVSWSA-N	366.848	4.694	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127717973	CRQOIYMNOZJCMY-XSFVSMFZSA-N	369.424	4.693	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(OCc3ccncc3)cc2)nc2ccccc21	128040499	FAGOEGFGRICBJE-XMHGGMMESA-N	366.424	4.611	50	20	FJGD	
NC(=O)c1cccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)c1	158796056	XGMQMQUIPIJAFO-OAHLLOKOSA-N	374.815	4.617	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1	171540416	OOLZFAPERKOMPR-LERPTODRSA-N	364.355	4.786	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1F	209783294	PBSCVCCMHVWJHK-UKTHLTGXSA-N	362.376	4.995	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1OC1CCC1	735687956	VSXKSAPIVGVDTL-UHFFFAOYSA-N	367.836	4.576	50	20	FJGD	
COc1cccc(F)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	742241238	YDSWSUGNCDIHKR-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
COc1sc(/C=C(\C#N)C(=O)C2CCCCC2)cc1Br	746519971	IZKRNANXCSWWSB-YRNVUSSQSA-N	354.269	4.576	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc([N+](=O)[O-])c(O)c3)n2)cc1	748147459	OMRNUVGNBLKELR-OVCLIPMQSA-N	363.398	4.797	50	20	FJGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	749186527	OPWIHJAMBMIBMV-KBPBESRZSA-N	357.866	4.505	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC	749452593	PNCZQCIGHKJHHG-IQFISFIMSA-N	364.445	4.727	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(F)c(Cl)c2)c1C	751250147	AUEFHPKGOKTIND-LICLKQGHSA-N	373.859	4.531	50	20	FJGD	
CC(C)(C)Oc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	754149370	AMHFSASCCZFRCR-UHFFFAOYSA-N	370.346	4.779	50	20	FJGD	
COc1cc(C(=O)NN=C[C@@H](C)c2cccc(Cl)c2)ccc1OC(C)C	763354683	NBMRDJFKRYCQFY-CQSZACIVSA-N	374.868	4.655	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(-c2ccccc2)ns1	770042727	VNDATFJZGDLHIR-UHFFFAOYSA-N	367.459	4.568	50	20	FJGD	
CCCC[C@H]1NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771857754	CRLYBZZELGQQRZ-LLVKDONJSA-N	358.332	4.959	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc(F)c(Cl)c1	773161316	PPSCPJGVFXDKNL-GHXNOFRVSA-N	369.758	4.798	50	20	FJGD	
Cn1cnc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	800791519	BBXYCGXESZEAPL-WMZJFQQLSA-N	361.257	4.915	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2cccs2)nc2ccccc12	808246758	KUSJGFYBPFWQTN-UHFFFAOYSA-N	365.285	4.839	50	20	FJGD	
COC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	812861370	SHOWHFZSUOJESK-IMSIIYSGSA-N	369.836	4.763	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1OC	834748331	RXYUCCUFEQFVQD-NTEUORMPSA-N	363.841	4.530	50	20	FJGD	
COc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)c2ccoc2C)c1C	1115816396	GCVLJGSBMUSXTN-PDGQHHTCSA-N	360.413	4.794	50	20	FJGD	
Cc1cc(C)cc(-n2nc(C(=O)NNc3ccc(C)c(Cl)c3)cc2C)c1	1320109102	IVKZHMBWWTVLOA-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
Cc1ccc(C)c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	25510971	UMFLLVJLQDBUHQ-XMHGGMMESA-N	352.484	4.918	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1cccc(C2SCCS2)c1	92224661	NCIUZFHKAZEJDA-UHFFFAOYSA-N	365.911	4.967	50	20	FJGD	
CC(=O)Nc1cc(Cl)ccc1NC(=O)CCCC[C@@H]1CCSS1	106025601	IOOCMYQNSMQMFF-CYBMUJFWSA-N	372.943	4.951	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccccc2C)ccc1OC(F)F	212136464	BKEZDFPAAWVSBX-GDNBJRDFSA-N	357.356	4.785	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c1	255143710	VOJSWDZAJZWEQJ-YBEGLDIGSA-N	368.795	4.952	50	20	FJGD	
O=C(NN=Cc1cccc2ccccc12)c1cc(F)ccc1Br	728436741	WGLHXFCZYFAWPY-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1	742827349	ZGOVYVUHNSJJSJ-YBEGLDIGSA-N	374.362	4.736	50	20	FJGD	
O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1c(F)cccc1F	743455150	JBRYFCSHXZIQKW-SFHVURJKSA-N	366.411	4.825	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1C[C@@H]1c1cccc(Cl)c1	747415543	IYZKMJGFUQLKAH-CHWSQXEVSA-N	354.759	4.606	50	20	FJGD	
O=C(NNc1ccccc1Cl)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	748308583	ZTGRNWRNBKIZMU-GKUGFIGPSA-N	372.818	4.932	50	20	FJGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12	766777869	GWVBWAXHKFKWKC-SDXDJHTJSA-N	364.408	4.571	50	20	FJGD	
Cc1sc(C(=O)NNc2nccnc2C(C)C)cc1-c1ccc(F)cc1	772889360	MRAIVRKECPARJT-UHFFFAOYSA-N	370.453	4.533	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc(F)c2Sc2ccccc2)cc1	781348505	IWWDUHKJNSIWIB-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1)c1ccccc1	787177111	FYUJZUASQZFMIT-LJLZWOEMSA-N	373.481	4.985	50	20	FJGD	
Cc1cc(OC(F)F)c(C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791732252	YJGGBXGUOLKMAW-UHFFFAOYSA-N	367.204	4.722	50	20	FJGD	
N#CC[C@H](CC(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccccc1	793756057	HUAFPDHICTWARK-GFCCVEGCSA-N	366.223	4.663	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c(Br)c1	794692202	UJGCVWBTMGJWNV-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
COc1ccc(Br)c(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843263097	AJGLAWUFUNJSMQ-WUXMJOGZSA-N	361.264	4.856	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1OC	843266504	WIHOAJRRCQZQPS-VGOFMYFVSA-N	356.447	4.501	50	20	FJGD	
N#C/C(C(=O)CSc1ccc2c(c1)CCC2)=C1/Nc2ccccc2S1	874579839	FGSKOQRSARRLAV-CAPFRKAQSA-N	364.495	4.789	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc(C)sc2C)c1C	914732978	QMGBFLNEIMQXPE-BKQORJHRSA-N	369.534	4.978	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3)cs2)cc1	917950099	ZIVJDCOHUYINMF-WQRHYEAKSA-N	360.438	4.769	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3ccoc3)c2C)cc1	918666073	UEDQHFONTJCJFD-CIAFOILYSA-N	373.456	4.561	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)cc1	918749577	ZTCACMHPYWESGA-FOWTUZBSSA-N	350.466	4.595	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2cccs2)s1	1116547301	BRNLJKRZHZZADA-UHFFFAOYSA-N	366.414	4.835	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccsc1	44028080	VADGQXLCMGACMH-NTEUORMPSA-N	350.355	4.706	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2ccc(F)cc2)cc1F	118510513	BHZGBILTYNLAND-UHFFFAOYSA-N	360.310	4.667	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1	150770908	ILEBISPRAVDOAD-UHFFFAOYSA-N	373.815	4.518	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(Oc2ccncc2)c1	151936813	QMUFDAOVXGHWCO-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
C[C@@H](O)[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192255532	YHKWUKFSMKVTDO-NXEZZACHSA-N	360.348	4.579	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1COc1ccccc1	746697057	IGJCCRNCFYJRQH-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CSc2ccccc2)C1	750052552	CDZHMPMQLCVPAV-OBLBUWMUSA-N	365.458	4.573	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-]	770568591	GVFVBLAWGKXPIY-WJDWOHSUSA-N	364.401	4.691	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cc(O)ccc3[N+](=O)[O-])n2)cc1	772797755	PNZFLFZBRBIUGI-OVCLIPMQSA-N	363.398	4.797	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1Cl	775639052	KUNRMMZWJVYQOS-WQLSENKSSA-N	363.747	4.740	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H](CCO)c1ccc(Cl)cc1	807845036	UQKSTQHOBWIUNX-HZPDHXFCSA-N	373.971	4.594	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)[C@H](Sc1ccccc1)c1ccccc1	808247666	KAXVXJIEFLLWHO-MRXNPFEDSA-N	354.302	4.782	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](c2cccs2)C2CC2)c1C	810177841	JVXKGZTZWBRGQW-JKALPCAWSA-N	367.518	4.751	50	20	FJGD	
ClCCCOc1ccc(CNCc2cccc(Br)c2)cc1	811476386	KJOMXMBNEPFRMF-UHFFFAOYSA-N	368.702	4.747	50	20	FJGD	
N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1	811687715	IHAQPKTZPUEUQK-WLRTZDKTSA-N	373.359	4.994	50	20	FJGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1cc2ccccc2cc1O	814694425	JVFLNIOWYOMLHB-UHFFFAOYSA-N	374.440	4.695	50	20	FJGD	
Cc1csc([C@H](NCCO[Si](C)(C)C(C)(C)C)C(F)(F)F)n1	830286286	LNOTWYTWHGOZNY-NSHDSACASA-N	354.514	4.666	50	20	FJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccc(C)o1	916358030	YAQCQJQDUZPINI-UHFFFAOYSA-N	373.865	4.706	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)OCCSc2ccc(Cl)cc2)c1	916604603	JWMPGDUIIQYEOS-RVDMUPIBSA-N	373.861	4.591	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)CC(C)(C)C)o2)c([N+](=O)[O-])c1	918713760	NGFKIHUEQSVORC-UKTHLTGXSA-N	368.389	4.776	50	20	FJGD	
C=CCCO[C@@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	921151425	WONIDRHOKDNQFE-HZMBPMFUSA-N	367.820	4.826	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1Cl	8117456	VWNQCDFOUZDCMJ-YNAXTPHLSA-N	356.809	4.611	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1	123651169	UAHVRMVHBFCCPP-UHFFFAOYSA-N	351.837	4.776	50	20	FJGD	
Cc1ccc(NNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1	158915763	WGLLJGHXNWTAAX-UHFFFAOYSA-N	363.895	4.899	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)c3cccc(C)c3C)c2C)no1	727827637	JYCCIGIZQMFQJF-ODLFYWEKSA-N	359.429	4.797	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCCO3)s1	729819791	FNLOEWMAEDGXMH-NTUHNPAUSA-N	359.834	4.661	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CCC#N)CC(C)(C)C)c1C	735636722	LYSLQQYZAVKYGI-ZHZULCJRSA-N	368.525	4.600	50	20	FJGD	
CCCCCC[C@@H](CC)C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	740927928	WRJNXWHTLOZMGO-QGZVFWFLSA-N	369.513	4.595	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc(OC)c1O	747034446	RUMOVXAXPRYUKK-CXUHLZMHSA-N	353.805	4.573	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1SCCc2sccc21	748018041	FNHBXWISNRDZTP-ZDUSSCGKSA-N	359.303	4.529	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cc3c(Cl)cccc3s2)cc1Cl	753316926	HQRZNRPRPJZVPQ-UHFFFAOYSA-N	362.241	4.837	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2SCc2ccco2)c1	755083718	QDSPLROGKSIGOW-UHFFFAOYSA-N	352.459	4.946	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)Nc1cc(Cl)ccc1Cl	756264367	DEFIALYMEWZKFD-SDQBBNPISA-N	360.175	4.550	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1c(Cl)cccc1N1CCCC1)c1ccccc1	763362253	CGJSRPCMEZBXFA-QGZVFWFLSA-N	369.896	4.584	50	20	FJGD	
COc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1Cl	775432474	FZTICNVBOLZPLZ-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
CC1CCN(c2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2)CC1	785057926	LNHVZBZDRKAOBO-JXAWBTAJSA-N	363.436	4.608	50	20	FJGD	
CSSCCNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1	791150903	WTYULNMKEAFMCZ-SDNWHVSQSA-N	353.509	4.555	50	20	FJGD	
N#C/C(=C\c1cc(Br)cs1)c1cc(C(F)(F)F)ccn1	812246046	BTFMVEXNKOIRGS-FPYGCLRLSA-N	359.170	4.989	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(Oc2cccnc2)cc1	813872631	DZKLKLARAIYYCI-HNNXBMFYSA-N	363.255	4.622	50	20	FJGD	
CSc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)s1	814754280	NUVPERVJWHDTTJ-UHFFFAOYSA-N	373.528	4.666	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)oc1C	817014685	TXLYQWXBRXODTR-UHFFFAOYSA-N	366.261	4.691	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Br	834444387	BIAGYVQYQMCNCS-WEVVVXLNSA-N	364.136	4.692	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccccc2F)c(C)n1CC(F)(F)F	915863006	MRWOQADEUNSHBF-ZSOIEALJSA-N	350.315	4.596	50	20	FJGD	
C[C@@H]1CCC[C@H](N(C)CCP(=O)(c2ccccc2)c2ccccc2)C1	917100440	OFFNDNPASIXRJP-UXHICEINSA-N	355.462	4.511	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cc(C)cc(C)c1	921262290	SJENGVBHDHCONP-SXGWCWSVSA-N	354.837	4.820	50	20	FJGD	
CCN1CCC[C@H]1CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	1117791481	JSUWOVRCGYXJBY-LBPRGKRZSA-N	373.391	4.950	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)c1nc(N)c2ccccc2n1	1318248454	MFBLZSUHUPBMLB-XFFZJAGNSA-N	374.753	4.948	50	20	FJGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3c(C)cccc3C(C)C)c2c1	1347440570	DGJRTXHGXKKVSC-UHFFFAOYSA-N	351.450	4.674	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1CSCCS1	154542840	KHAGDYRZCVZGRF-OAHLLOKOSA-N	366.577	4.562	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1	192097302	LUNCDNIFVNMDRH-SDNWHVSQSA-N	372.471	4.636	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	211577975	SGAKFWAAUHJGRM-HKWRFOASSA-N	354.409	4.908	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC2(CCOC2)C1	297177170	MIBFUOPVXWAAPN-UHFFFAOYSA-N	358.332	4.598	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	730521394	FIIVYAHKPYUGIJ-ZIAGYGMSSA-N	355.652	4.894	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccsc3s2)c1C	735460677	FCELASJKMFJIBA-NTEUORMPSA-N	370.503	4.732	50	20	FJGD	
C[C@H]1CCc2[nH]c3ccc(C(=O)NNc4cccc5cnccc45)cc3c2C1	748773582	UXGFJTRGEGHOBQ-AWEZNQCLSA-N	370.456	4.598	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1	750795419	HOTCDETYZSUZBM-KEBDBYFISA-N	374.419	4.620	50	20	FJGD	
COc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1OC1CCCC1	752631280	DFLAITFOKKBGGJ-UHFFFAOYSA-N	368.477	4.699	50	20	FJGD	
C#CCCCCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	758533414	PIRBQRKELUIGBJ-CYBMUJFWSA-N	364.820	4.831	50	20	FJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C(/C#N)c1ccncn1	758909138	BMACLOFNUJDXMD-YBEGLDIGSA-N	363.852	4.562	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)Nc1ccc(Cl)cc1	761474337	LBZXKERYRVKUEQ-JXMROGBWSA-N	352.608	4.587	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	761479924	XUQABGIWIBGHBA-XYOKQWHBSA-N	356.212	4.968	50	20	FJGD	
CCOCCNC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	762445366	VELTVOCTIGIITC-UHFFFAOYSA-N	350.378	4.667	50	20	FJGD	
O=C(NCCC1CC(O)C1)Nc1cccc(S(F)(F)(F)(F)F)c1	763876276	JNNIIGMHONLGEK-UHFFFAOYSA-N	360.348	4.627	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccnc1-c1ccccc1	770078024	YPNYKLRNTVNRAC-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)c1nc(-c2ccccc2)no1	771838334	OUKDECAAPRVPEA-JYRVWZFOSA-N	359.282	4.959	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(F)cc(C(F)(F)F)c2)n1	772796322	HJERSSIKRDWERR-KMKOMSMNSA-N	370.327	4.542	50	20	FJGD	
C[C@@H]1C[C@@H](C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCO1	776300485	ZRDCOMHQGHFYDQ-ISTVAULSSA-N	367.820	4.660	50	20	FJGD	
CC[C@H]1C[C@@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	781549259	CLKKJWJJQCLVFV-ONGXEEELSA-N	365.688	4.685	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)C1CCCC1	781553892	DZLIRXKRZXJBBE-GXDHUFHOSA-N	357.816	4.640	50	20	FJGD	
C/C(C=NNC(=O)c1ccc2ccccc2c1)=C/c1cccc([N+](=O)[O-])c1	787152952	GXLLFGSJIVGYRZ-KJSWWPFXSA-N	359.385	4.567	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(Br)cc1)c1c[nH]c2ccccc12	787454851	GUQRMZAFYOFWJC-LBPRGKRZSA-N	372.266	4.567	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2c(F)cccc2OC(F)(F)F)c1	789129456	DZYTXVMWHJPRHS-FMIVXFBMSA-N	365.282	4.523	50	20	FJGD	
Cc1csc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1Cl	792211361	AMHQKQKHXKBNRL-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	797618250	COOOMSKZDRGDGU-GQPJMJRUSA-N	372.852	4.739	50	20	FJGD	
CC(=O)Nc1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc1	810250378	HHYXSKIZZHNCFZ-SDQBBNPISA-N	365.742	4.776	50	20	FJGD	
C[C@@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@H](c2ccsc2)O1	811465763	MVMJGNAIUAKKBR-DNVCBOLYSA-N	365.926	4.718	50	20	FJGD	
C[C@@H]1C[C@H](CO)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	817312218	WWMVOEFFVCXDBZ-MNOVXSKESA-N	374.375	4.826	50	20	FJGD	
CCOc1ccc(NNC(=O)CCCCc2nc3ccccc3s2)cc1	817882545	SFBACLCDHQRPTK-UHFFFAOYSA-N	369.490	4.551	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@@H]1N	841179517	OTXNICFZJBEJIF-MFKMUULPSA-N	373.391	4.935	50	20	FJGD	
O=C(/C=C/c1ccc(O)cc1)NNc1c(Cl)cc(Cl)cc1Cl	911603391	ZREIRAWYOICZNO-ZZXKWVIFSA-N	357.624	4.509	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2-c2ccccc2)cc1	917518660	IQYOKOAPERITMK-RCCKNPSSSA-N	368.436	4.586	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccccc2OC2CCCC2)cc1	920064912	NNWYYLRTQCTYJK-ZHZULCJRSA-N	367.470	4.655	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2csc(-c3ccccn3)n2)cc1	44024630	LRUKZJVISSEAOP-SFQUDFHCSA-N	359.454	4.947	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	67427872	RUONQRFAIKDWCQ-JYRVWZFOSA-N	362.763	4.796	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)c1nnc2n1CCCCC2	77506434	QBMOJNNRRSBHEU-LFIBNONCSA-N	364.449	4.936	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	153696331	FYPQMPFMBRHSSF-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2cccc(F)c2)cs1	154788519	QDNSUCWQEODDIA-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1c(F)cc(C#N)cc1F	155179228	RHTOTZJTRNLDLG-UHFFFAOYSA-N	371.412	4.787	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	175324169	UOSDQPMAICELKM-XCVCLJGOSA-N	358.731	4.595	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)C(=O)c1cc(F)cc(F)c1	194538634	VUTYIAXAVAEHJW-LFYBBSHMSA-N	358.394	4.940	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1	741468201	DEDGKQZYFRJASO-WFVLPUPGSA-N	370.456	4.847	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1cccc(C)c1	748840644	INZXEUQETAGKLG-UHFFFAOYSA-N	362.429	4.943	50	20	FJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccc(Cl)cc2)c1-c1ccccc1	754276535	YAWWVIBNLYRANS-UHFFFAOYSA-N	368.868	4.715	50	20	FJGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	760212007	RZGUPMBCOUQRBT-DHDCSXOGSA-N	372.815	4.797	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761392978	QXWOWBDTSYQPOD-LUAWRHEFSA-N	366.364	4.711	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1	764888104	OSWNIBSIEMVKPX-WOJGMQOQSA-N	359.404	4.727	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)cc1C	765612813	FSVHTPCACTYNNP-MDWZMJQESA-N	373.206	4.739	50	20	FJGD	
C[C@@H](c1ccc2ccccc2c1)N(C1CC1)S(=O)(=O)CCCCCl	780727017	RWZJSUBPBUUALQ-HNNXBMFYSA-N	365.926	4.714	50	20	FJGD	
C=C(CBr)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	791489594	JBEWZNOABDVMPW-HNNXBMFYSA-N	373.294	4.541	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1C	792483711	SRTNWNSDBDSZGE-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
CCc1ncncc1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547612	PFHNKKWZDAZUSA-UHFFFAOYSA-N	353.316	4.949	50	20	FJGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1cc2ccccc2cc1O	794858576	OBPVDQVXPZGHDZ-UHFFFAOYSA-N	368.383	4.562	50	20	FJGD	
N#C/C(=C/c1ccc(SCc2ccccc2)cc1)C(=O)[C@H]1CCCOC1	794884510	PVWOVZADFXIHJF-KYYPIKSYSA-N	363.482	4.882	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)C1CCOCC1	794958490	MSPQRDFKFSMAKU-CXUHLZMHSA-N	369.367	4.660	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1C	797399330	RNXQPCMCKNCYDZ-MDWZMJQESA-N	357.479	4.626	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(C)c3ccccc3)nc2)c1	797785350	AUVXIBDDSIOQKD-XMHGGMMESA-N	368.440	4.704	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccoc1	806557506	UUXXJCOHWQASOM-JMIUGGIZSA-N	354.365	4.520	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1ccc(C(F)(F)F)cc1	813494716	YJZOCDOMWAZPEH-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CC[C@@H](C=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1ccccc1	814786185	YCUIEEXIEMPSPD-INIZCTEOSA-N	363.486	4.648	50	20	FJGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)cc1Br	856233409	NHBQTLMPHFJJEC-ZETCQYMHSA-N	373.600	4.524	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC#N)c2)cc1	917619720	LUPLKHIZRJWVCE-HUCUOGIVSA-N	359.429	4.648	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)s1)C(=O)Nc1ccccc1	1776118547	VFFWSXXZMZANGC-VBKFSLOCSA-N	374.421	4.659	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3csc([N+](=O)[O-])c3)n2)cc1	63278988	NLSPFOLIOVZBJI-AWNIVKPZSA-N	369.427	4.853	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(F)cc2Br)nc2ccccc21	128721967	UVVVVHVOPLNDFM-XYOKQWHBSA-N	356.198	4.539	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccccc2)n1	171019466	ZQSMDJAUTOWEMW-LFIBNONCSA-N	367.474	4.740	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	173015379	SYXAVLIDBKTNPS-NTEUORMPSA-N	361.228	4.685	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1c[nH]cc1-c1ccc(F)cc1	173032168	ZKQAIFAUCVFUHA-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1Cl)c1nnc2n1CCCCC2	178863748	AVGFHQYABYKPHM-XYOKQWHBSA-N	366.774	4.741	50	20	FJGD	
CCCc1nc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC)c2C)cs1	208222244	KUVGSXOTAKBBNA-LICLKQGHSA-N	371.506	4.574	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1)c1ccccc1	255831688	NZVJDKWCEMZMBR-OJNRTJSBSA-N	365.483	4.656	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12	727973972	DYKYQUUYPVRFBF-WUXMJOGZSA-N	374.293	4.995	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2C(F)(F)F)cc(C)c1OC(F)F	730735985	GJPGWYJQXFWAQO-UHFFFAOYSA-N	374.309	4.681	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccsc1	731318415	IGXLHDINHLROGY-JMIUGGIZSA-N	370.433	4.989	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cc3ccccc3[nH]2)c1C	746848136	GTKLKADHJSKIKU-UDWIEESQSA-N	374.488	4.610	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1	749538112	LKFDDZXTZHDGSU-HNNXBMFYSA-N	371.790	4.637	50	20	FJGD	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)/C(=C\C#N)c1ccc(F)cc1	750795142	NLBYSDBUXRPEHF-CIYPURDQSA-N	350.437	4.790	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c2ccccn12	755627570	VNGCLCKSHDDBCL-KAMYIIQDSA-N	364.836	4.657	50	20	FJGD	
C[C@@H]1CCc2c(sc3nc([C@H]4CC[C@H](Br)C4)nc(O)c23)C1	765980914	FGEIJPARRRVPEA-UTLUCORTSA-N	367.312	4.553	50	20	FJGD	
Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC=C(C#N)CC3)o2)cc1	767176673	IQZYDKPFEAJRPV-UHFFFAOYSA-N	369.424	4.613	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(F)c1	772172523	RZIRZTNRZRWDSO-RVDMUPIBSA-N	362.316	4.784	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1OC	772178438	FSMXRWVDDKTGDA-XGHPXPSOSA-N	353.393	4.801	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)CCCCOc2cccc(C#N)c2)cc1	780802368	KSZFRVCRNMELGF-UHFFFAOYSA-N	365.477	4.548	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(N3CCCCCC3)nc2)cc1	780804532	GMQLRHUOBMJLOL-UHFFFAOYSA-N	366.509	4.516	50	20	FJGD	
O=C(/C=C/c1cccc(O)c1)NNc1c(Cl)cc(Cl)cc1Cl	781066334	CZMXXGYLEOCANA-SNAWJCMRSA-N	357.624	4.509	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ncc(-c3ccccc3)o2)c1	782447332	SLJHIFSOMITOJV-GZQZNAIASA-N	374.396	4.562	50	20	FJGD	
CC(C)(NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	782982604	XSVPMQIWGPMRGF-UHFFFAOYSA-N	365.389	4.811	50	20	FJGD	
Cc1cc(-n2cccn2)ccc1NC(=O)CCCC[C@@H]1CCSS1	789295776	VKSMYEOFKACGEX-MRXNPFEDSA-N	361.536	4.833	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	797618255	COOOMSKZDRGDGU-VEMDQMBVSA-N	372.852	4.739	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(C)c1OC	806553922	DFKLOTPZRRWZIE-MHWRWJLKSA-N	360.413	4.592	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1nc2ccccc2cc1Cl	810021845	NYASHOVTXSSDRK-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
CCCc1cc(=O)nc(/C(=C\c2ccc(OCCCCl)cc2)CC)[nH]1	811691993	WBNAEMKHOYPOBU-SSZFMOIBSA-N	360.885	4.681	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(C2CC2)n1	836189882	OUNJWICEKRSFAC-UHFFFAOYSA-N	370.667	4.985	50	20	FJGD	
CCCn1ncc(C(=O)NNc2ccccc2Cc2ccccc2)c1C1CC1	846464544	OCIAHDGSJDLNKC-UHFFFAOYSA-N	374.488	4.518	50	20	FJGD	
CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	874834067	OVEWXPNRBKMISB-KBPBESRZSA-N	370.387	4.653	50	20	FJGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)c1ccc2ccccc2c1	917547395	RVUNMDLQQWQWFJ-UHFFFAOYSA-N	359.816	4.805	50	20	FJGD	
N#C/C(=C\c1sc2ccccc2c1Cl)c1nnc2n1CCCCC2	17473557	BLUWAYKYKDUITJ-ZRDIBKRKSA-N	354.866	4.937	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(COc3ccccc3C#N)c2)c1	158697551	ZXGJOBHXRKOXAG-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCC(F)(F)F	195171451	XRKWNSINKMGJIK-MDWZMJQESA-N	355.356	4.549	50	20	FJGD	
Cn1c(/C(C#N)=C\c2ccccc2OCc2cccnc2)nc2ccccc21	255236967	PDLFEVNYIIVBPF-UYRXBGFRSA-N	366.424	4.611	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cnc(-c3ccc(C)cc3)s2)c1	734307363	XOFPZJPUOOOZTL-BOPFTXTBSA-N	360.438	4.917	50	20	FJGD	
C[C@@H](Sc1cc(F)ccc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	746237804	VDSOXBVOCJQIKT-RTEFUZQYSA-N	374.437	4.967	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2ccccc2c2cccnc12	746699930	NKOOWSWSOITJFS-UHFFFAOYSA-N	365.795	4.937	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1F	748018108	IIESWDYTKIFJNR-MNOVXSKESA-N	357.187	4.518	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C[C@@H](C)c1ccc(F)cc1	756875974	DPUJKUCIQRONJJ-CYBMUJFWSA-N	367.449	4.777	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1Br	765612428	BSEOFYFCTGTOPI-MDWZMJQESA-N	373.206	4.739	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCCC(C)(C)C#N)c1C	768494725	JMCKQNLIUVMGCM-UYRXBGFRSA-N	355.482	4.685	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1	774117559	DOKOZKRSIHSUHS-ZSOIEALJSA-N	366.764	4.671	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc2c(c1)-c1ccccc1C2	775271179	DAVKAPJOUVGBRO-UHFFFAOYSA-N	370.239	4.717	50	20	FJGD	
CC(C)Oc1c(F)cc(NC(=O)NNc2cccc(Cl)c2)cc1F	775752944	WXVRQPFKZJVWBD-UHFFFAOYSA-N	355.772	4.554	50	20	FJGD	
Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](Br)C(C)(C)C)o1	781090951	PXDAMJFDOYLNPA-ZFWWWQNUSA-N	356.304	4.841	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(C)c1)c1ccccc1	787180878	YIMLFXMXPOWCMM-UBXANZILSA-N	370.456	4.560	50	20	FJGD	
Cc1ccc(N(Cc2ccco2)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1C	787346349	PMELIAIMWWUZBL-UYRXBGFRSA-N	372.424	4.742	50	20	FJGD	
Cc1nc(-c2ccccc2NC(=O)[C@@H](Br)C(C)(C)C)cs1	794130066	PVJBHLQTEACRNV-CQSZACIVSA-N	367.312	4.867	50	20	FJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)Nc1ccccc1Br	794691989	RNGFZMZNOWKBFR-UVTDQMKNSA-N	367.202	4.741	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1	794875299	USABTZGHKOEBKU-FOWTUZBSSA-N	351.402	4.645	50	20	FJGD	
O=C(NNc1cccc(F)n1)c1cc(Cl)ccc1SC1CCCC1	804769438	GSRJLJFJOFLVAI-UHFFFAOYSA-N	365.861	4.666	50	20	FJGD	
Cc1ccc2snc(C(=O)NNc3cc(Cl)ccc3Cl)c2c1	815853950	IGWGDDRTXXORLA-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
CO[C@@H](C)c1nc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)cs1	844335565	FJIYJANHIWTIQP-HOCLYGCPSA-N	370.635	4.837	50	20	FJGD	
COC[C@@H](C)Oc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	853008394	PMHJIAAIYXHHAY-DWKHYPNZSA-N	356.491	4.918	50	20	FJGD	
CS(C)(=O)=Nc1cccc(NCc2ccc(OCCCCl)cc2)c1	895732328	JEPWDNROFXBJCG-UHFFFAOYSA-N	366.914	4.666	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1	913188357	PPWYFYKCFSEUTM-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1cc(C)c(C(=O)CCCC(=O)NNc2cccc(Cl)c2)c(C)c1	917365635	NUDQCRHJIFCRLL-UHFFFAOYSA-N	358.869	4.762	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cnn(Cc2ccccc2)c1	918358151	PLGYEHWMKJDUDC-QGZVFWFLSA-N	361.536	4.584	50	20	FJGD	
C[C@@H]1CCC(=O)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	930764232	CWSRSNLGAPTSIO-SECBINFHSA-N	358.332	4.929	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	112770485	ADQLJGMNJCUEBH-ZSOIEALJSA-N	355.419	4.631	50	20	FJGD	
CC(C)=CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	190245548	IHBZZQZSWPUIEX-UHFFFAOYSA-N	351.362	4.589	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1OC	207881796	OIQMRCRCYFIQKI-LGMDPLHJSA-N	361.445	4.825	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1)C1CCCCC1	734367682	LLNXYNJVWSOOMA-WYMLVPIESA-N	370.399	4.923	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1OCCCC#N	747361176	DUPKQBHQFDCATK-XMHGGMMESA-N	369.424	4.990	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1ccc(Cl)cc1Cl	759071148	FWPYHJVISCFMRZ-CLTKARDFSA-N	358.637	4.649	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CCCc2sccc21	768012822	ZVHMPJWXMCJGMX-SNVBAGLBSA-N	359.253	4.757	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cscc1Cl	771841621	PMUFMKIVTPNAHG-ONNFQVAWSA-N	367.257	4.918	50	20	FJGD	
C[C@H]1[C@H](C)CCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777987951	SCJKJJZPUZUIAB-ZJUUUORDSA-N	365.389	4.763	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	780375597	XMUQDQHDPUCEBK-WJDWOHSUSA-N	355.315	4.507	50	20	FJGD	
CC(C)[C@@H](CCO)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792877957	XWRITJDHNPTWFN-LJQANCHMSA-N	351.607	4.705	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCCCl)cc1	811686286	SLVPJFJMSVPRDU-GHRIWEEISA-N	354.837	4.548	50	20	FJGD	
CC(CCC(C)C)=NNC(=O)c1ccccc1OCc1ccc(F)cc1	916294841	ISBFNANHGLFCJS-UHFFFAOYSA-N	356.441	4.947	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc2c(c1)oc1ccccc12	1323206523	BZRMATXUQMYUJJ-UHFFFAOYSA-N	371.318	4.757	50	20	FJGD	
CC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1	1790486019	SKTRROUUHFNWRO-MRXNPFEDSA-N	364.917	4.574	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)cc(OC)c2)cc1	7167611	CDDBVBBUOMITSE-BFERYNQYSA-N	364.445	4.763	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)o1	16969003	WZNRPLLBCSLTRN-XEGJVCIASA-N	360.335	4.967	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cn(CCC#N)c2ccccc12	21193424	OWNHYVIXUZJDHU-QGOAFFKASA-N	368.440	4.718	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2F)o1	111552936	GXAIFSANZGLEEW-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1	127651355	WPTINFWQLLVYRU-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	191946151	QIPNAHCBLMDVPH-LLVKDONJSA-N	372.359	4.541	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)C(=O)c1cccc(F)c1	194532092	MOKCBIZQVKHOTI-LFIBNONCSA-N	363.367	4.557	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1)c1ccccc1	207827131	OCCOZHWCMPRXQX-LUJRCDHRSA-N	360.388	4.870	50	20	FJGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)c1cccnc1	729654113	BAJJEXRVYINOHD-MOSHPQCFSA-N	364.493	4.506	50	20	FJGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1	731835625	LBWXNPOCMPDYFJ-LCYFTJDESA-N	351.768	4.573	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ncccc3Cl)cs2)cc1	734247602	ROCLPOGJPLDXAX-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1	746340994	FABPQEOMDHQVEX-GDNBJRDFSA-N	374.362	4.958	50	20	FJGD	
CC[C@H](CC(=O)NNc1ccc(Cl)c(F)c1)c1ccc(OC)cc1	752147266	NSTXESDVCIOEAH-GFCCVEGCSA-N	350.821	4.515	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1cccc(-c2c(F)cccc2F)c1	757141503	KRKYIDIWNVPZBD-UHFFFAOYSA-N	360.310	4.667	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C(C)CCc2ccsc2)cc1OC	764895411	DZKFCTQOJKSCSI-UHFFFAOYSA-N	374.506	4.674	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC(F)(F)F)c(C)n1CCC(C)C	766605624	OGVGFHRJWUAUMV-LFMVTYOGSA-N	369.431	4.515	50	20	FJGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccc2ccccc2c1	775270591	KBJWWJIDJDGHRN-NSHDSACASA-N	360.244	4.788	50	20	FJGD	
CCCCCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777842400	IELSCSFNXVFIFA-UHFFFAOYSA-N	353.378	4.813	50	20	FJGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1cccc(C(F)(F)F)c1	782370874	XDPVOMSBDLMLQE-NTCAYCPXSA-N	367.330	4.681	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c2c(c1)C[C@@H](C)O2	783714006	DWHYBERYCPNQAP-KUKWCLJQSA-N	359.834	4.523	50	20	FJGD	
Cc1cccnc1NNC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1	791222839	SCVMOTHDWYQBIR-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
N#C/C(=C/c1ccccc1Br)C(=O)c1ccc2ncccc2c1	794885285	QKRQTZKQXUWWJE-YBEGLDIGSA-N	363.214	4.787	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(-c2cnn(C)c2)c1	801648439	ZCDHWARUPKWMLY-YBFXNURJSA-N	370.456	4.558	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	813139489	GYAYCJDHFRWNCP-ICSRJNTNSA-N	367.493	4.665	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(C)=O)c2)c1C	912694848	OWHRQCUCJFSYTM-NDENLUEZSA-N	363.461	4.653	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCCCC1	916129746	YMITXNIEIARJHP-RGEXLXHISA-N	371.440	4.916	50	20	FJGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3c(Cl)cccc3Cl)c2c1	1334728386	KJOUPMDOQQEAPM-UHFFFAOYSA-N	364.232	4.549	50	20	FJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)nc2ccccc12	1338618605	NVTILGAWNSDPTD-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(-c3ccsc3)n2)cc1	7764207	GSVMMORLNUMPNJ-LZYBPNLTSA-N	366.467	4.830	50	20	FJGD	
N#C/C(=C\c1ccco1)C(=O)Nc1nc(-c2ccccc2Cl)cs1	16881843	RNCFBRMCYPWFSQ-DHZHZOJOSA-N	355.806	4.602	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCO1	192259905	OMTUVBKBIKZHPP-JTQLQIEISA-N	360.348	4.987	50	20	FJGD	
CCN(Cc1ccoc1)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	726511941	HMKMVWHVHVEHEQ-CIAFOILYSA-N	367.493	4.700	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc2c(Cl)cccc2s1	748767923	YYPKXQJWUQEDHJ-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	750795645	JVZMLYXWRYMAAU-BDBXIWDTSA-N	374.419	4.620	50	20	FJGD	
Cn1cc(C(=O)NNc2c(Cl)cccc2Cl)c(C2CCCCC2)n1	763612005	DIGOAYVTHIEHBC-UHFFFAOYSA-N	367.280	4.532	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	764891315	KNYLSLCKQFSUKI-VBKFSLOCSA-N	358.353	4.953	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)cc1Br	767711882	ABLPHYADKKARKL-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NNc2ccccc2F)cc1	769953020	JDAXOLJSEFDLKD-SFHVURJKSA-N	360.392	4.630	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F)C1CCCCC1	771838365	PEGQCEIMABYXQS-UKTHLTGXSA-N	354.347	4.543	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]1CCO	779451430	DFLQPVGOCYOSMK-NSHDSACASA-N	360.348	4.723	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])cc3Cl)c[nH]c2c1	783688803	QDYKCGCRJWEPTL-NTUHNPAUSA-N	365.776	4.828	50	20	FJGD	
N#C/C(=C\c1cscc1Br)c1nc(-c2ccccc2)no1	794686310	NPKBIBNGBPBCBE-IZZDOVSWSA-N	358.220	4.625	50	20	FJGD	
Cc1nnc(-c2ccc(NCc3ccc(OCCCCl)cc3)cc2)o1	811470998	AJLCWSUCVRMPTL-UHFFFAOYSA-N	357.841	4.665	50	20	FJGD	
Cc1cccc(NNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c1	812458469	IGJNRGGICVEDAL-LBPRGKRZSA-N	365.246	4.534	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=C3CCSCC3)cc2C1	916356598	XFDPEHPFPCFLMK-CYBMUJFWSA-N	350.553	4.512	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3nc(-c4ccccc4)no3)c2C)no1	917045245	ZCFRCPKRTJKBQS-WQRHYEAKSA-N	371.400	4.505	50	20	FJGD	
Cc1ccc2[nH]c(C(=O)NNc3cccc4c3CCCC4)c(Cl)c2c1	1319597328	NORQXNCOOWNYSE-UHFFFAOYSA-N	353.853	4.765	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C2SCCS2)cc1	30610720	SLMPJXYEZOTSKM-UHFFFAOYSA-N	350.896	4.576	50	20	FJGD	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1ccc(F)cc1	68848943	RDRGUQBYXWDFJG-UHFFFAOYSA-N	367.858	4.729	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1ccc(SCc2ccccc2)cc1	114885369	XUUPDUZAXVILMD-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1nc(C)sc1C	122766890	CPZIGPKYBCEBEQ-UHFFFAOYSA-N	359.520	4.639	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	125526915	FKKPBAFRYBMMRE-QENILXLESA-N	355.419	4.631	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2sccc2Br)c(C)c1	588467551	RYNJIBKFPQVDPX-XYOKQWHBSA-N	361.264	4.673	50	20	FJGD	
COc1ccc(NNC(=O)c2ccccc2Nc2cccc(C)c2C)cc1	729272971	ABKLOVGHUPYWNO-UHFFFAOYSA-N	361.445	4.813	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)s1	729820431	QZKJHWLDAXMUIR-RIYZIHGNSA-N	353.834	4.686	50	20	FJGD	
COCc1c(C(=O)NNc2c(C)cc(C)cc2C)sc2cccc(F)c12	743762732	JIDFRBHVIGAQDQ-UHFFFAOYSA-N	372.465	4.869	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(C)c1	743763395	IACDPUZBJZYPNS-UHFFFAOYSA-N	370.456	4.984	50	20	FJGD	
Cc1cc(C)c(NNC(=O)[C@H](C)c2ccccc2C(F)(F)F)c(C)c1	743764812	VWCVMFXUGJLBMQ-CQSZACIVSA-N	350.384	4.877	50	20	FJGD	
Cc1c(F)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	744810213	OLERIVOCZOHGQF-ZDLGFXPLSA-N	353.441	4.754	50	20	FJGD	
C/C(=C/C(=O)NNc1cc(C)ccc1F)c1ccc(C(F)(F)F)cc1	760137190	SASLGVCMBUISQT-BENRWUELSA-N	352.331	4.700	50	20	FJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1c(C)cccc1F	771688599	GDWZXVANMRPMRP-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1C	773143180	OROQBUUKMSZRDL-QPEQYQDCSA-N	373.206	4.739	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)c1cccc(C(F)(F)F)c1	780527964	QKYLETTYYAMWSS-WCIBSUBMSA-N	355.237	4.913	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2csc3ccccc23)cc1	787151918	UBMNWHLVIQEQLO-LUYJPIOASA-N	362.454	4.694	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccccc1C(F)(F)F	789952022	PRTPGGKMPHKDTC-SNVBAGLBSA-N	374.815	4.983	50	20	FJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)c1ccc2ncccc2c1	794885757	VXQHFBWORYXWMQ-MKMNVTDBSA-N	369.243	4.849	50	20	FJGD	
COc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc(Cl)c1O	812248932	URAVZQDWUMBGFS-ONNFQVAWSA-N	354.715	4.532	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(-c2nccn2C)c1	812932806	GPZLNSZHWZZTNP-UHFFFAOYSA-N	363.465	4.668	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccnn3CC(C)C)n2)cc1	843263780	FJGUUEJWEUBFHR-YBEGLDIGSA-N	364.474	4.735	50	20	FJGD	
CC[C@H](C)CCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	850590823	DDBZESLGVPKFFC-JTQLQIEISA-N	374.375	4.835	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]2NCC[C@@H]21	868147687	MEIXQJOOPRLPHX-OLZOCXBDSA-N	371.375	4.702	50	20	FJGD	
COc1ccc(CCCN(C)C(=O)CCCC[C@H]2CCSS2)cc1	918390840	NSUOUKGACYCYJF-SFHVURJKSA-N	367.580	4.800	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)c1ccc(OC(F)F)cc1	1116476027	SNNTUPQMZIKZRD-GHRIWEEISA-N	368.383	4.678	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(OC)c(-c3ccccc3)c2)cc1	1261257916	KSPOLQSYQUJEIC-UHFFFAOYSA-N	362.429	4.518	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccn1	25198058	WPKFKHUBVDGBDJ-XMHGGMMESA-N	369.424	4.515	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(-c3cnco3)c2)c1C	48205720	BMYBKLLESHWUBV-GRSHGNNSSA-N	374.444	4.716	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2cc(F)ccc2s1	104879177	RUVAIPMLVHJTBZ-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
CN(CCCOc1ccccc1)C(=O)CCCC[C@H]1CCSS1	106148253	CLURPOVCOIHFGM-KRWDZBQOSA-N	353.553	4.628	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1ccc(Br)s1	107067119	HHSCMHXOJYUTHG-UITAMQMPSA-N	368.639	4.659	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC(F)F	210605338	CTNZJUYTKRWOEN-JYRVWZFOSA-N	368.339	4.568	50	20	FJGD	
C[C@H]1CCCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	729140223	BOCAQCXFOJQAIG-AWEZNQCLSA-N	356.853	4.825	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1csc(-c2cccs2)n1)c1ccccc1	731931566	KSPYPMMXPPXPAA-OAHLLOKOSA-N	355.488	4.516	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N[C@@H]1CCSC1	743084509	NTTUNPOKKRZYSP-LDYMZIIASA-N	370.849	4.533	50	20	FJGD	
Cc1cc(O)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	748079433	BYENLQGWRGGXGM-XDHOZWIPSA-N	365.477	4.711	50	20	FJGD	
Cc1cc(COC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)on1	763690182	AMIUZWJBDCTRIH-WQRHYEAKSA-N	367.449	4.557	50	20	FJGD	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCC[C@H]1CCSS1	767081036	MYKOHFODZVBEOD-CJNGLKHVSA-N	369.527	4.617	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(SC(F)F)cc1	775407922	DVHUINIWEYTVNO-UHFFFAOYSA-N	360.389	4.698	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)c1ccc(OC(F)F)cc1	776259391	ILIYYFNGGPQFJU-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
COc1ccc2cc(/C=C/C(=O)NNc3ccc4ccccc4n3)ccc2c1	777465895	VGCJKTUCGGTNFD-NTUHNPAUSA-N	369.424	4.553	50	20	FJGD	
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	782158483	RFPMZHCANMSHTH-ONGXEEELSA-N	372.359	4.587	50	20	FJGD	
N#Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1Cl	801142146	CJFCMLFHZPQFGE-AWEZNQCLSA-N	354.928	4.542	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccoc1	806558188	VHYWIVQTEXTXMG-YBEGLDIGSA-N	360.325	4.770	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cn(CCCC#N)c3ccccc23)cc1	837057996	IMEYYPGHHRVUFR-UHFFFAOYSA-N	360.461	4.825	50	20	FJGD	
CCCc1ncc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)s1	846378253	FAZMOGQRJXRZNC-UHFFFAOYSA-N	363.792	4.525	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1CO	856853529	BACJWTHRHAIJRL-GHMZBOCLSA-N	374.375	4.826	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN2CC[C@@H](C3OCCO3)C2)c1	896377053	DCOQKEZIGVJZIW-GFCCVEGCSA-N	359.360	4.539	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ncc(-c3ccccc3)[nH]2)cc1	1318451352	VPIZJYRYGPTNMJ-XMHGGMMESA-N	370.456	4.965	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(CC3CCCC3)o2)c(C)n1CC(C)C	1325776223	XFSZUJVATHUGJJ-ODLFYWEKSA-N	352.482	4.941	50	20	FJGD	
CCON(C(C)C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	1326007479	ZAZVNEVRUORDGA-UHFFFAOYSA-N	369.377	4.695	50	20	FJGD	
CCOCCOCc1cccc(NC(=O)c2cccc(CCl)c2)c1C	1358006421	OAJVEDVWOMMZLL-UHFFFAOYSA-N	361.869	4.539	50	20	FJGD	
CCCCOc1ccccc1/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1	108872437	JWICOZHFMAMVHI-RGEXLXHISA-N	355.459	4.512	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1cc(-c2ccco2)nc2ccccc12	122419192	MUMBUKUYPQKISB-UHFFFAOYSA-N	365.339	4.530	50	20	FJGD	
Cc1c(CCC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cnn1C	191946020	IQVJCLBLBVWLIR-UHFFFAOYSA-N	369.359	4.957	50	20	FJGD	
N#C/C(C(=O)CSc1ccc2c(c1)CCC2)=C1\Nc2ccccc2S1	302750183	FGSKOQRSARRLAV-SILNSSARSA-N	364.495	4.789	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)c1ccc(Cl)s1	588424846	NISJGFZJZKSRML-UITAMQMPSA-N	368.639	4.659	50	20	FJGD	
CCc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)s1	731157648	YIRVRNGCAVYQNX-LUAWRHEFSA-N	367.499	4.964	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1	746703975	QUMSSTBXQFQLDR-JKSUJKDBSA-N	356.347	4.504	50	20	FJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1/C=C(\C#N)c1ccncn1	758909121	BMACLOFNUJDXMD-MHWRWJLKSA-N	363.852	4.562	50	20	FJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cccc(Br)c1	759659756	PYPTWVOTVPATRM-FLIBITNWSA-N	365.658	4.649	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(C)c(Cl)c1	766291378	YZOCXWORVDAWSE-NVNXTCNLSA-N	370.836	4.560	50	20	FJGD	
COc1cc(/C(C#N)=C/c2csc(-c3ccsc3)n2)ccc1[N+](=O)[O-]	766777069	CCBUPUPDFSPQHG-AWNIVKPZSA-N	369.427	4.853	50	20	FJGD	
Cc1cccc(NNC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c1	770394614	KHQVGFJHAPITHC-UHFFFAOYSA-N	365.502	4.843	50	20	FJGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	781549253	CLKKJWJJQCLVFV-GXSJLCMTSA-N	365.688	4.685	50	20	FJGD	
Cc1ccc(NNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1	781896269	FHAGFUFUBZHBNY-UHFFFAOYSA-N	368.786	4.842	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1Cl	788000577	HQBMLBRXTTUJHS-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCSc2ccccc21	791725883	AWNUOQSZLZXNNM-AWEZNQCLSA-N	353.274	4.716	50	20	FJGD	
CCC(=O)c1cccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1	792331676	AYKXOWQEEGBBRJ-UHFFFAOYSA-N	352.221	4.735	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc2c(c1)CCC=C2	802859357	CRTVQZIZLSXXDA-UHFFFAOYSA-N	350.315	4.561	50	20	FJGD	
O=C(NNc1cccc(F)n1)Nc1cccc(Sc2ccccc2)c1	806262316	CFBSSZNHFPKWOU-UHFFFAOYSA-N	354.410	4.521	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccccc3C(F)(F)F)cc2c1	810021188	QDEFVKDTVHSYGL-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
Cc1cccc(-n2ncc(C(=O)NNc3c(C)cccc3C(C)C)c2C)c1	812767240	GWMXXQHYWXXQID-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
CC1(C#N)CCC(=NNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1	834925282	LBCPGTOXHFEPKC-UHFFFAOYSA-N	372.428	4.684	50	20	FJGD	
C[C@@H]1C[C@H](CN)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191491	ZSWUJMKNSCMZEG-NXEZZACHSA-N	359.364	4.545	50	20	FJGD	
Cn1cnnc1[C@H]1CCCN1Cc1cccc(S(F)(F)(F)(F)F)c1	892148929	RKZSQNFYRVIAMZ-CYBMUJFWSA-N	368.375	4.810	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2c[nH]c3ccc(C(=O)O)cc23)s1	1776277041	GSFRFQZZFYBHCI-SDQBBNPISA-N	351.431	4.684	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	7740713	LOQKEJDTRRIOAV-XDHOZWIPSA-N	358.401	4.521	50	20	FJGD	
CCc1oc2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1	7767459	SVMLAOGWBAVGBW-FOWTUZBSSA-N	351.427	4.642	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1	18063336	XQHXLWIDEDPOTA-DEDYPNTBSA-N	370.456	4.543	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1	108207834	NPSZAXRXFQHVSB-HKWRFOASSA-N	354.409	4.811	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	116222901	LBRZEHGVQSGGEP-TYNCELHUSA-N	357.491	4.651	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2F)c(Sc2ccccc2)n1	122665167	FTLNKRBDJCIRPQ-UHFFFAOYSA-N	371.412	4.576	50	20	FJGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)s1	123423401	LWGCNTUZXSTKAV-WDZFZDKYSA-N	360.508	4.566	50	20	FJGD	
COc1ccccc1[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	150805413	MMUBVALCOSVAIO-HZPDHXFCSA-N	365.564	4.725	50	20	FJGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1cccc(C(F)(F)F)c1	728717079	RCOMBUHIFJWOTM-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
Cc1ncccc1/C=C(\C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	728786099	RQWNPCFEDASJMU-NBVRZTHBSA-N	355.397	4.728	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Br)ccc2F)s1	729820633	ULWOPUGDCFNDOR-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
O=P(CCN1CCC2(CCCC2)CC1)(c1ccccc1)c1ccccc1	738342821	GOJGVOKQKWZUBD-UHFFFAOYSA-N	367.473	4.657	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc3cc(C)c(C)cc3o2)cc1	749810609	NRWMFLTYVKSPCQ-ODLFYWEKSA-N	351.427	4.696	50	20	FJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CSc2ccccc2)C1	750055752	PNGWTMABHQKGGH-PADWCVLASA-N	365.458	4.573	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	752813338	UGTISEGYCYGWEU-UHFFFAOYSA-N	366.292	4.592	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)c2ccccc2F)cc1Cl	753888900	FNCOCCQFHXJGOP-WDZFZDKYSA-N	350.176	4.931	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1	760131896	SRWUDGSDFYZECL-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCSc2ccccc21	763614302	FXJBSWJWPXOABO-LLVKDONJSA-N	353.274	4.716	50	20	FJGD	
O=C1NC2(CCCC2)C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1	771858791	HDLGKYTZVHRWCD-UHFFFAOYSA-N	356.316	4.713	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)c1cc(F)cc(F)c1	772176843	RELXEIYAHVAFJJ-JYOAFUTRSA-N	355.237	4.913	50	20	FJGD	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NNc1ncccc1C	792268816	JYCNSUSYEAHDCR-UHFFFAOYSA-N	373.416	4.511	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc2nc(-c3ccccc3)oc2c1	793705334	CRRQUHPDHBYDDL-UHFFFAOYSA-N	363.804	4.905	50	20	FJGD	
N#C/C(=C/c1ccc(SCc2ccccc2)cc1)C(=O)[C@@H]1CCCOC1	794884513	PVWOVZADFXIHJF-PQDCBLBRSA-N	363.482	4.882	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(-c2ncco2)ccc1C	799408423	OUJNBMCIZIBWCR-UHFFFAOYSA-N	350.422	4.669	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2cccc3cccnc23)cc1	802825067	JNWSDQYIUASJME-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CCCC23CCCC3)cc1OC	814755047	HVSDKUKHPVBMHC-UHFFFAOYSA-N	358.482	4.704	50	20	FJGD	
O=C(NCCC1CCNCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	846314585	FZCIHJPDPWWCFI-UHFFFAOYSA-N	373.391	4.855	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(F)cc(Cl)c2)cnn1C1CCCC1	855618961	XKRYBKOYVRKDGB-UHFFFAOYSA-N	364.852	4.500	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N(C1CC1)C1CC1	859309492	QGZQZJZXLFPTSS-UHFFFAOYSA-N	363.373	4.660	50	20	FJGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)[C@H](C)c1cc2ccccc2s1	1776096261	RTRNXUUUXVBSGG-LBPRGKRZSA-N	366.442	4.509	50	20	FJGD	
N#C/C(=C\c1ccccc1Br)C(=O)Nc1ccc(Cl)cc1	6342000	BDRVCWXSQISZHK-FMIVXFBMSA-N	361.626	4.648	50	20	FJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1[N+](=O)[O-]	23724411	XSNZRYBBEBZBGQ-OQLLNIDSSA-N	359.385	4.989	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nnc(-c2ccsc2)s1	110890857	QSBXFAYIIVYPNH-LLVKDONJSA-N	371.578	4.919	50	20	FJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1cccc2cnccc12	178500371	IIHISFBUGZTBPD-CYBMUJFWSA-N	373.378	4.576	50	20	FJGD	
O=C(NN=Cc1c2ccccc2c(Cl)c2ccccc12)c1cccnc1	254698869	HBIJCVOERZEBRZ-UHFFFAOYSA-N	359.816	4.805	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C#N)c(Cl)c2)c1C	301142861	GNELZHBZWOOVKL-MFOYZWKCSA-N	366.852	4.586	50	20	FJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C)c1ccncc1	735441375	ZDTOWUXRRZFACG-XSFVSMFZSA-N	364.493	4.506	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1	752795208	BYSIMXFYFHAIGD-CYBMUJFWSA-N	358.310	4.621	50	20	FJGD	
CC(C)c1cccc(O[C@@H](C(=O)N2CC=C(C#N)CC2)c2ccccc2)c1	760004370	ZEWHEWPRIHNPRS-JOCHJYFZSA-N	360.457	4.612	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2c(F)cccc2Cl)c1C1CC1	771180372	WKWIMOGDQQGWCC-JTQLQIEISA-N	365.840	4.673	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1cc(Cl)cc(Cl)c1	791713970	QQQHMFHLEOALAB-UHFFFAOYSA-N	374.271	4.844	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1	794883921	FANQQZXGOPSKKC-BOPFTXTBSA-N	364.351	4.935	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)c1ccc(Cl)s1	811627403	AHTDLMSKAUARHO-OQFOIZHKSA-N	357.740	4.916	50	20	FJGD	
CC(=O)c1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cs1	814692736	ZSQFOSVBSDIEFZ-UHFFFAOYSA-N	363.653	4.668	50	20	FJGD	
CCOc1ccc(NNC(=O)C2(c3c(Cl)cccc3Cl)CC2)cc1	817911788	UHKGTNXCPWPHKO-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cc(Cl)cc3cccnc23)cc1	914889723	QBJSWEBWLFGSFP-RQZCQDPDSA-N	362.816	4.847	50	20	FJGD	
Cc1nc(NC(=O)NN(Cc2ccccc2)c2ccccc2)sc1C	43551278	VIMHYDIJEHQZQQ-UHFFFAOYSA-N	352.463	4.503	50	20	FJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1[N+](=O)[O-]	210457119	XSNZRYBBEBZBGQ-DHDCSXOGSA-N	359.385	4.989	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1SC	214926075	OMANEUMEUBUPJE-MHWRWJLKSA-N	352.459	4.580	50	20	FJGD	
Cc1ccc(C#N)cc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	746376583	GWPXURNMDZCPPU-CIAFOILYSA-N	374.488	4.877	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	748414246	JHFXRPVEDNHGQP-UHFFFAOYSA-N	371.440	4.919	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc(OC(F)F)cc1	748658943	AWTHOMUHOFHDLM-SNVBAGLBSA-N	372.824	4.565	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)co2)cc1	749885771	GHGYVCLLZGWHJC-GDNBJRDFSA-N	363.804	4.849	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2OC(F)F)cc1	756783008	GGWVDBRAYBSRFC-PTNGSMBKSA-N	372.371	4.541	50	20	FJGD	
COc1ccc(C)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1Br	765612426	BSEOFYFCTGTOPI-JYRVWZFOSA-N	373.206	4.739	50	20	FJGD	
CC1(c2ccccc2)CCC(=NNC(=O)c2ccc(O)c(Cl)c2)CC1	766704555	LNBLEKMMDBLJMC-UHFFFAOYSA-N	356.853	4.663	50	20	FJGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1cccc(Cl)c1	773212532	KGJGWEXUKVMGQE-HNNXBMFYSA-N	353.853	4.702	50	20	FJGD	
CCN1CCC(Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CC1	777622207	TWKHJSWYVPNQMD-CQSZACIVSA-N	352.853	4.802	50	20	FJGD	
Cc1cccc(NC(=O)[C@H](C)OC(=O)CCCC[C@@H]2CCSS2)c1	786590387	OUYFRHLMYFKEOL-GOEBONIOSA-N	367.536	4.579	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)c1cnc2ccccc2n1	790230462	AHTMYAJFZDHITO-RIYZIHGNSA-N	363.804	4.509	50	20	FJGD	
Cc1cc(C)c2cc(C(=O)NNc3ccnc4cc(Cl)ccc34)[nH]c2c1	798149030	CEHROTKXJJTZPG-UHFFFAOYSA-N	364.836	4.743	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@H]1CCCF	800807806	HCJYFCMCVQYLKF-AWEZNQCLSA-N	359.470	4.754	50	20	FJGD	
CSc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1[N+](=O)[O-]	812767824	VPHKCYLJDGJUEI-UHFFFAOYSA-N	359.451	4.505	50	20	FJGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1	817016951	RHPRREXSCZLLAG-MRVPVSSYSA-N	366.261	4.564	50	20	FJGD	
CCO[C@H](C)c1nc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cs1	852524851	PAZJBPXYGSHZAS-GDBMZVCRSA-N	370.635	4.837	50	20	FJGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(OCc2ccccc2)cc1	862516909	AZVJCYRSCDUMQC-OAHLLOKOSA-N	366.383	4.687	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1Br	916646777	NCEXVQLZOIILQI-XFXZXTDPSA-N	361.626	4.648	50	20	FJGD	
Cc1ccc2cc(/C=C(\C#N)C(=O)N(C)c3ccccc3)c(Cl)nc2c1	1116052774	XWTCVUSJZYZMIJ-SFQUDFHCSA-N	361.832	4.767	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1=Cc2ccccc2OC1	15631493	UICPUDJKYOLOTK-UHFFFAOYSA-N	369.635	4.566	50	20	FJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)NC1CCCCC1	22016150	LVGROFPEWHKIEI-JLHYYAGUSA-N	354.397	4.654	50	20	FJGD	
CCC(CC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	187000287	PGFBKSZIIHXMJD-UHFFFAOYSA-N	360.348	4.587	50	20	FJGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192263721	ZPSGWCWMQMYVAJ-UHFFFAOYSA-N	361.336	4.543	50	20	FJGD	
Cc1cnc(C2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)s1	372872185	UBXOZWIOUWHZSR-OAHLLOKOSA-N	370.609	4.872	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1F	588619064	JKDORRYMWDTRMI-FLIBITNWSA-N	365.191	4.687	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(Br)c2)s1	729820423	QPBUPYVCRFQYSD-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
COc1ccccc1C(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	731487745	ANMQCQKZTWUUEK-UHFFFAOYSA-N	369.424	4.607	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(SC(F)(F)F)cc1	734248379	LCIRBSLGIMWYKU-UHFFFAOYSA-N	369.393	4.665	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc2c(s1)CCCCCC2	740137819	JOLASLMFDABZGV-UHFFFAOYSA-N	369.412	4.578	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2csc(-c3ccc4c(c3)OCO4)n2)sc1C	741474872	SUFZGFCALLKDCJ-WLRTZDKTSA-N	367.455	4.676	50	20	FJGD	
Cc1cc(OC(=O)c2csc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-]	746201530	FTSDIYBZOZODEB-UHFFFAOYSA-N	374.805	4.899	50	20	FJGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNc1ccccc1Cl	748314147	DOWQJVWQNRRBDO-UHFFFAOYSA-N	352.821	4.599	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC	749454065	YGQSHDQEJNEGPD-HNDQUVLASA-N	368.408	4.557	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1Br	757123858	DXDOJNYLKWUHTO-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)cc(C(F)(F)F)c1	759036333	VULBRVXDVWEPDR-ONNFQVAWSA-N	360.173	4.990	50	20	FJGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)c1cc2ccccc2o1	761811491	UHLTUCVNXDVPOU-UHFFFAOYSA-N	351.164	4.643	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H]1CCSC1	762271097	ZXSWKKZSGRJGGA-QPUJVOFHSA-N	355.834	4.598	50	20	FJGD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762665323	JOWQLBGFQZAYKN-ZJUUUORDSA-N	372.359	4.539	50	20	FJGD	
N#Cc1ccc(Oc2cccc(NC(=O)NNc3ccc(F)cc3)c2)cc1	770026185	ILTVEQIPVRIDEB-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
Cc1nc(C(=O)NNc2c(F)cccc2Cl)c(-c2ccccc2)s1	770201729	BJUHUVKKUVPNKC-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC=C(F)C1	771755968	BCQGNQSLFYPXOJ-GFCCVEGCSA-N	368.783	4.997	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1cccc(Cl)c1Cl	782305558	JMEQCNTZCNXXDL-UXBLZVDNSA-N	364.257	4.873	50	20	FJGD	
O=C(NN=C1CCC[C@@H]1CCF)c1cc(-c2ccco2)nc2ccccc12	794872472	YFLRHYDBORZFNM-CQSZACIVSA-N	365.408	4.740	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc(OC)c1	810250967	QZKSATDDTSKJEM-JYOAFUTRSA-N	368.742	4.835	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)c1cc(C(F)(F)F)ccn1	812246708	SEZCUYYYPQCETR-XFFZJAGNSA-N	358.348	4.683	50	20	FJGD	
CCCC1CCC(=NNC(=O)c2ccc(F)cc2Br)CC1	917553202	UVLXTTIBSQADRR-UHFFFAOYSA-N	355.251	4.664	50	20	FJGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	921189672	OEHZQIYSJUNRPD-NSIKDUERSA-N	357.196	4.686	50	20	FJGD	
CCCc1cc(C(=O)NNc2cccc(Br)c2)sc1C	932481617	YMYFZJOBYOOVPX-UHFFFAOYSA-N	353.285	4.528	50	20	FJGD	
COc1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	23234546	HLPBJIUFOWQIKB-UHFFFAOYSA-N	360.628	4.804	50	20	FJGD	
CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C(/C#N)C(=O)C(C)C)cs1	54898134	YBJSCOKVQHZDNW-JYRVWZFOSA-N	373.865	4.613	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3F)sc2C)cc1	66326124	JURCANDWUVIQGY-UHFFFAOYSA-N	374.412	4.767	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)ccc1O	89990966	LPJGUOCDOJCQGZ-WZUFQYTHSA-N	368.742	4.922	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1c(Cl)cccc1Cl	152180762	HYUSUUJSWMMXNF-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CC(C)c1c(C(=O)NNc2ccccc2F)cnn1-c1ccc(Cl)cc1	152810140	PLVIEMUVMCOJIY-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
Cc1cccn2c(/C=C(\C#N)c3nc(-c4ccc(C#N)cc4)cs3)cnc12	172691925	CQNRITMATOFNIR-RQZCQDPDSA-N	367.437	4.702	50	20	FJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1cc(F)c(F)cc1F	173621508	WFDIQUINUFIKHX-GFCCVEGCSA-N	365.399	4.626	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)c(F)c1	190250860	HKCZEJIRZMUSGG-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccc(F)cc1	212696449	UFXZLJWAWROKNZ-PTNGSMBKSA-N	362.316	4.784	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccsc1	255883231	IJWUPNCQLOGVCK-LCYFTJDESA-N	350.355	4.706	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(OC[C@@H]3CCCO3)cc2)c1C	727655113	NJUGMNSJRJVVQH-YMFQVDJJSA-N	361.441	4.651	50	20	FJGD	
COc1ccc2c(c1)CCCN(C(=O)CCCC[C@H]1CCSS1)C2	728544287	XUCPYOTZXPUVCZ-SFHVURJKSA-N	365.564	4.684	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2C)s1	729820421	QNVFYKPFPMIRLK-GDNBJRDFSA-N	365.433	4.788	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1OCC(C)C	730589901	WIBXCFPXKMXXSX-YVLHZVERSA-N	353.393	4.659	50	20	FJGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc(Br)s1	731925186	RQZGMEUWQGQZJF-UHFFFAOYSA-N	357.317	4.977	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1	747034506	UTIVAROCLONVBT-IZZDOVSWSA-N	366.726	4.626	50	20	FJGD	
CCC[C@H](C)C(CC)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	748243667	CRQNQRZOMNVLIN-ZETCQYMHSA-N	365.692	4.556	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1csc(-c2ccccc2Cl)n1	749274702	XZUIZIDCQRXBHK-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2nc(C(C)C)n3ccccc23)cc1	755628486	ZDEKPAZIQFLRSQ-GHRIWEEISA-N	358.445	4.566	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc3c(s2)-c2ccccc2OC3)c1	760147698	PAAWOMWPGFJMQZ-UHFFFAOYSA-N	354.406	4.512	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(C)ccc2C)cnn1-c1ccc(C)cc1	760463613	UODFHFYSZBZXHK-UHFFFAOYSA-N	362.477	4.507	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)c1cc2ccccc2o1	761393892	UFHOAKWSQYSSCD-QPEQYQDCSA-N	350.736	4.887	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)C1CCC(C(F)(F)F)CC1	768093065	CCCSSLAWYOZMDE-UHFFFAOYSA-N	355.187	4.805	50	20	FJGD	
CC(C)(C#N)CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	781808081	NFMKZAATYHMBOM-LLVKDONJSA-N	365.808	4.577	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)c1cnc2ccccc2n1	789148036	MONZKPPSEZUZFR-MHWRWJLKSA-N	371.831	4.592	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2Br)c(C)cc1Cl	793708789	IEFSNWMXYCHMMJ-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(F)cccc2Br)c1C	794870035	QUQRLAHDWQMTAX-UKTHLTGXSA-N	373.225	4.751	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc2ncccc2c1	794884890	NNNHILQIFDMNQI-NVNXTCNLSA-N	363.760	4.586	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cccc(F)c2)cc1)C(=O)C1CCOCC1	794958389	KLFMNINLCYFFLP-ATVHPVEESA-N	351.377	4.521	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(F)n2)c(C)n1-c1ccc(C(C)C)cc1	804770430	BCMMAZRDDDGYKM-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1	808779737	ZMWDZRQLFVXVOJ-XSORJCKLSA-N	374.362	4.523	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(F)c1)c1csc(-c2ccccc2F)n1	815851789	UKMWQTUWHIYNBE-UHFFFAOYSA-N	373.428	4.509	50	20	FJGD	
Cc1csc([C@@H](NCCO[Si](C)(C)C(C)(C)C)C(F)(F)F)n1	830286284	LNOTWYTWHGOZNY-LLVKDONJSA-N	354.514	4.666	50	20	FJGD	
CC(C)(C)n1nc(C(=O)NNc2cccc(Cl)c2Cl)cc1C1CC1	838343270	NKNPWAVANWUCON-UHFFFAOYSA-N	367.280	4.579	50	20	FJGD	
N#Cc1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	913459200	UDETYVQWIWTZCT-UHFFFAOYSA-N	355.612	4.667	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)Cc2cccs2)c1C	914743274	UAJVEAFNNQGAJQ-SJPXOZHESA-N	369.534	4.621	50	20	FJGD	
O=C(NN=Cc1ccc(Br)cc1F)c1ccc2ccccc2c1	917546235	IAHYAAFZWDUULZ-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1F	1319783986	ZGNJVGHWKLXPLY-SDQBBNPISA-N	367.273	4.782	50	20	FJGD	
CCCCC/C(C=NNC(=O)c1cccc(C(=O)O)c1)=C\c1ccccc1	1776094619	CNCRXSZKDAGYJJ-JCFOLSRCSA-N	364.445	4.764	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc4ccccc4c3)[nH]c(=O)c2c1C	6210769	NETLIGJYVPCRKB-LICLKQGHSA-N	357.438	4.819	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1OC(F)F	57399246	VEHZWFHEMFIQSP-LCYFTJDESA-N	368.339	4.568	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Br)c1)c1ccccn1	131271141	SGFMUYYCEUPPBJ-XFFZJAGNSA-N	351.150	4.510	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)c1ccc(Br)s1	171670865	GYAGVEKJPYUVDQ-WEVVVXLNSA-N	354.175	4.579	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)c(SC)cc1OC	172698975	ZEXMVSCPAMKLOQ-NTUHNPAUSA-N	359.472	4.586	50	20	FJGD	
Cc1noc(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	186058643	SIPUCTYWUGZABX-UHFFFAOYSA-N	357.304	4.607	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(Br)ccc2F)c1C	727654668	HYOKIVUBFAWRGM-RIYZIHGNSA-N	358.210	4.995	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccccc1Oc1ccccc1	727759802	ZNYQTIZPTFZIHV-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cnc4ccc(Cl)cn34)c[nH]c2c1	737443968	MVHSTOHNHSEXAP-QPEQYQDCSA-N	360.804	4.567	50	20	FJGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2ccccc2)cc1	754469557	DNMYCAIQVXLWFL-UHFFFAOYSA-N	366.424	4.568	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc(Cl)s1	761385091	KJMNHYIDZWADHE-WEVVVXLNSA-N	351.189	4.856	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc3cc(OC)ccc3o2)c1C	763277532	NWEHZUAVWYZIMN-ATVHPVEESA-N	360.413	4.836	50	20	FJGD	
C[C@@H](C=NNC(=O)c1ccc(Br)s1)c1cccc(Cl)c1	763355639	WSDDKEIXUUFMLZ-VIFPVBQESA-N	371.687	4.683	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Cl)cc1Br	769773681	NYGPLAXCMILANI-IZZDOVSWSA-N	350.599	4.794	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1	770191852	ZUGBORWWUBFXHH-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
COc1cc(NNC(=O)CCc2ccc(Cl)c(Cl)c2)ccc1Cl	790188609	ILAYSUHEHSBEEJ-UHFFFAOYSA-N	373.667	4.731	50	20	FJGD	
Cn1ccc(CCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	794413946	IBQYMLJOOMQNEO-UHFFFAOYSA-N	355.332	4.649	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[C@@H]1CCCOC1	794884704	RCPWTHHXGKMAMF-MKRLJBPISA-N	357.862	4.971	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c2ncccc12	801176155	PNNRALLDEQVVMQ-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccccc1Oc1ccncc1	801230423	CEJBAXCCFAIGEI-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CCOC1CC(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1	808076968	NQKFOXIQKGWSDF-RPFQZYLTSA-N	367.820	4.660	50	20	FJGD	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cn3)cc2)cc1	812244903	KBETXDZGTIUMTC-UNOMPAQXSA-N	371.396	4.941	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	812246180	FNCOSYCYJINYGH-XNTDXEJSSA-N	372.346	4.575	50	20	FJGD	
CN1CC[C@H]2CN(C(=O)c3ccc(S(F)(F)(F)(F)F)cc3)CC[C@@H]21	827276560	CVIFSKHZZVEWPF-JSGCOSHPSA-N	370.387	4.510	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H]2NCC[C@H]2C1	841191126	VRPWWNYVFSGUNI-GXFFZTMASA-N	371.375	4.560	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@@H](C)C2CC2)c1C	914841414	PFJZSMZAZJMOSP-IZQLPPHKSA-N	353.510	4.602	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(F)F)cc1	915982536	IJOZOCBWCHPXTR-MDWZMJQESA-N	362.763	4.796	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3cc4c(s3)CCC4)o2)cc1	1348893298	RTNNEAWIQCGQQT-GDNBJRDFSA-N	363.442	4.750	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc(OC)c1	58131816	AGYUUKSXXBBYCE-SDQBBNPISA-N	362.212	4.800	50	20	FJGD	
Cc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F	209782074	ZYGDOJNUHUPUCZ-NTUHNPAUSA-N	370.232	4.779	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1	255130130	SAOCFMBTCGYPDU-PTNGSMBKSA-N	367.811	4.619	50	20	FJGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-c2ccc(Cl)cc2)s1	728786075	COEUCGMPSHGQKB-UHFFFAOYSA-N	369.877	4.546	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1cc2ccccc2c2cccnc12	734248563	OQHYQNPSERPUGR-UHFFFAOYSA-N	370.437	4.755	50	20	FJGD	
CC[C@H](NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(F)cc1F	738418686	ZARJQNYSOXDVGD-ZBEGNZNMSA-N	364.461	4.537	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1sc2cc(F)ccc2c1Cl	748561548	SUQJKOJVOUPLCQ-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
O=C(CCc1ccc2ccccc2c1)NNc1ccc(OC(F)F)cc1	748654188	GHEWWIINZLIHAA-UHFFFAOYSA-N	356.372	4.517	50	20	FJGD	
O=C(NCCCN1CCCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752982094	LIFQFESMXZAAHZ-UHFFFAOYSA-N	373.391	4.951	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1cc2sc3ccccc3c2s1	754485376	IEGSMEBNKQTBBL-UHFFFAOYSA-N	359.863	4.921	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCOC2(CCCCCC2)C1	763801716	BLYFYZXACBTRJP-INIZCTEOSA-N	357.585	4.652	50	20	FJGD	
CC[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1	764278580	SZUOOVDNVPETGO-ZDUSSCGKSA-N	358.310	4.621	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)C(=O)c1cc(F)cc(F)c1	772177650	XZNQFOVWOYVEMV-TYULJFPZSA-N	355.237	4.913	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(N(C)C)cc1	773018427	VUWQQIWVAOOBAY-WMLDXEAASA-N	352.569	4.644	50	20	FJGD	
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	782158479	RFPMZHCANMSHTH-GXSJLCMTSA-N	372.359	4.587	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1C	783589678	PIMTTYAFGOVWJF-UHFFFAOYSA-N	367.758	4.604	50	20	FJGD	
Cc1cnc(Cl)c(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	787980025	IGPVRCJGHPIXRZ-IUXPMGMMSA-N	370.884	4.663	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1c(F)cc(F)c(F)c1F	797646596	BXJMVFSBHBLRDU-SECBINFHSA-N	367.433	4.573	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCCC2=O	810679173	LZOFAICHSLBRMP-UHFFFAOYSA-N	363.244	4.659	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)O)cc3)n2)cc1	920067151	BIPDUDRGIZFTAX-MHWRWJLKSA-N	362.410	4.581	50	20	FJGD	
COCCOc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1F	108866796	DWDIPGRDXFYNTP-AWEZNQCLSA-N	373.515	4.504	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cc(C)cc(C)c2)cc1OC	126608184	CKLUFOQRIOPGFE-UHFFFAOYSA-N	362.857	4.511	50	20	FJGD	
Cc1cnc([C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C2CC2)s1	181609681	PYBKISUGIPEIFY-MRXNPFEDSA-N	358.511	4.526	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1nc2ccc(Cl)cc2[nH]1	732159196	HDSUFYFGEKAMIZ-GFCCVEGCSA-N	369.943	4.547	50	20	FJGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1)c1ccccc1	737557735	LZBQAXXWDZDLKV-DYESRHJHSA-N	366.505	4.645	50	20	FJGD	
Cc1cccc(O[C@H](C)CNC(=O)CCCC[C@H]2CCSS2)c1	742118508	KIDYAAWBOVXMKC-WBVHZDCISA-N	353.553	4.593	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccccc1Nc1ccccc1	746710686	UFROCHWKUYJMLX-UHFFFAOYSA-N	357.335	4.604	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1cc(Cl)ccc1Cl	759074950	YXOGYSFRESNUCI-XVNBXDOJSA-N	358.637	4.649	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(Cl)cc2)cnn1-c1ccc(C)cc1	760857674	XDVNNPIJZYQUTN-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1csc(Cl)c1Cl)c1ccccc1	761390057	BETPKHWPUWQBPX-VPMLRQHESA-N	351.258	4.839	50	20	FJGD	
Cc1cc(C)c(C(=O)NNc2ccc(Br)cc2Cl)c(C)c1	762003570	PGDWNCUHOQLNGE-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
CCc1ccc(-c2nc(CC(=O)NNc3c(C)cccc3F)cs2)cc1	771701958	RECRBPQGVLQHSW-UHFFFAOYSA-N	369.465	4.506	50	20	FJGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1cccc2c1CCCC2	773493354	XBQTZUWFMQTPKL-UHFFFAOYSA-N	352.478	4.637	50	20	FJGD	
CC[C@H]1CCCN1S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777930975	GSAMYSGKOICGAY-JTQLQIEISA-N	365.389	4.907	50	20	FJGD	
C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782983154	PESNRWFOGDFLON-JOYOIKCWSA-N	365.389	4.811	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1cccc(C)c1C	787170377	YLLJROZDXGOMTP-HIMLSBAZSA-N	361.401	4.704	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(F)cccc2Br)c(C)c1	794869822	NKEAISQDUMZFDT-UKTHLTGXSA-N	373.225	4.751	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccsc2)c(C)n1CC(C)C	801017442	XVKDJBUVIUPIEW-VTNJTDAWSA-N	355.507	4.607	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)Nc1c(Cl)cccc1Cl	811686649	YXHZOOAEFCWTCV-YRNVUSSQSA-N	360.175	4.550	50	20	FJGD	
O=C(NN=C1CCCC[C@H]1C1=CCCCC1)c1cc(Br)c[nH]1	814780547	YDQSJCJPJCHEMH-AWEZNQCLSA-N	364.287	4.554	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	815851932	ZTNZCRXFCXILCR-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
COc1ccc2ccccc2c1C=NNC(=O)c1cccc2ccccc12	864006499	NIXGZFXCAPNMJE-UHFFFAOYSA-N	354.409	4.766	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccc(Cl)s3)on2)cc1Cl	1317883840	TYGZVDXEWMNEOU-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	1977728	GQSODXDOMQSSLA-SFQUDFHCSA-N	352.390	4.846	50	20	FJGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)CCCC[C@@H]2CCSS2)c1	45076070	VOWPYOHOHCNMMQ-SUMWQHHRSA-N	366.552	4.536	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Br)cc1Cl	120284358	URXKTVXBGSXRCF-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)C1CCCCC1	128932199	PZRVDJFZWGLCDX-LFIBNONCSA-N	352.459	4.778	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1COc1ccccc1	181080731	NTNFDISOVYUORL-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(-c2cccnc2)n1	194574709	RJCGOVAMMGEIBJ-LICLKQGHSA-N	369.453	4.670	50	20	FJGD	
COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1	213372094	WKXCPTSREZUEAX-RAXLEYEMSA-N	360.385	4.556	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	255505975	SZPVNBGOMODACX-XFXZXTDPSA-N	367.861	4.993	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@H]2CCSS2)[C@H]1c1ccncc1	293963440	PWDSJMRQBKAFTG-RDJZCZTQSA-N	350.553	4.705	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(-c2cc(C)ccc2C)c1Cl	726428575	AIUUVLTZZIVDFE-RKPNYOAGSA-N	355.869	4.973	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CCSC)cc2)cc1	727678100	DIKAIEPJTZYEIR-NBVRZTHBSA-N	366.486	4.536	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2Cl)s1	729823941	UWYJHXFEUYWDEH-UVTDQMKNSA-N	367.861	4.994	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1F	739426514	MUEDYZUFXLAORA-SFQUDFHCSA-N	351.425	4.526	50	20	FJGD	
Cc1cc(C)cc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)c1	742345924	FFUOXZZVJFOPDJ-BKUYFWCQSA-N	356.425	4.787	50	20	FJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(C#N)o3)c2C)cc1	742349545	GMGATAMKVDQGKI-PDGQHHTCSA-N	369.424	4.911	50	20	FJGD	
C[C@]1(CO)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762979657	JYMDOIQXHZUKDW-CYBMUJFWSA-N	360.348	4.723	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1sc2cc(F)ccc2c1Cl	771689013	SLBOENDEDSBEIJ-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1C2CCC1CC2	782980279	MARUBPMDEYCNDH-UHFFFAOYSA-N	363.373	4.660	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(F)c1)c1ccccc1	787145335	PUWLHDUFVNRDAB-MJSCBBHESA-N	374.362	4.602	50	20	FJGD	
COC[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	787656583	BPJFWLVNNCTNNO-CVEARBPZSA-N	373.971	4.858	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398298	FYQUVTQCZSFQJM-MDWZMJQESA-N	357.435	4.812	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F	806567422	GVFBUZCGOADWHF-YHYXMXQVSA-N	352.266	4.842	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1csc(-c2ccccc2)n1	806732329	PRMHAVIMGZSQFS-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)N(C)CC(Cl)Cl)cc1)c1ccccc1	808247684	LAWVUZBEWWSOPR-CYBMUJFWSA-N	352.261	4.702	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)C(C)(C)F)cc1OCC	834447342	KHTXZGJQSHVZSI-MDWZMJQESA-N	353.821	4.752	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC(OC4CCCC4)CC3)cc2C1	834930218	AVGGONKHWDRVSP-PIVQAISJSA-N	374.550	4.861	50	20	FJGD	
Cc1nc(C)c(-c2nnc(SCCO[Si](C)(C)C(C)(C)C)o2)s1	840185103	DDUPWUFXUBLEOD-UHFFFAOYSA-N	371.604	4.924	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC([C@@H]2CCCCO2)CC1	855950930	MMTXDTDZYDCCFT-IRXDYDNUSA-N	357.585	4.508	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1cccc(Br)c1	914163891	FNGCIJRYQVWIOC-AWEZNQCLSA-N	374.369	4.779	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc2cncn2c1C	1320024122	BQKURRZYPSORNG-UHFFFAOYSA-N	364.474	4.593	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(C(C)=O)cc2)c1C	7656045	AHWHJPNWRKFLCU-DEDYPNTBSA-N	364.445	4.620	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/c2nc(C)c(C)s2)c1C	24697664	OCHZKNTWAZXORM-OPFCKLNOSA-N	372.494	4.581	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc1F	25890190	PJRVLNYQSBXYSP-ONNFQVAWSA-N	356.706	4.966	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(N(C(C)=O)c2ccccc2)n1	101800072	ZQSMDJAUTOWEMW-WJDWOHSUSA-N	367.474	4.740	50	20	FJGD	
CN(CC(F)F)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	119256042	QJQPYICRCJSJDJ-SNVBAGLBSA-N	362.751	4.635	50	20	FJGD	
CCCNC(=O)CCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183996770	DZBMKUZUAUDGDZ-UHFFFAOYSA-N	374.375	4.979	50	20	FJGD	
CN(C[C@H]1CCC[C@H]1O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259242	SXGPSLQIBATYGC-ZWNOBZJWSA-N	374.375	4.969	50	20	FJGD	
Cc1c(CSC(C)C)cccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	588608640	PGIXRZBFFPJPPN-WOJGMQOQSA-N	366.486	4.888	50	20	FJGD	
Cn1ccc2c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cccc21	726877538	OHLFHDJTLATPDU-UHFFFAOYSA-N	368.651	4.895	50	20	FJGD	
COc1ccccc1C(C)(C)NC(=O)CCCC[C@H]1CCSS1	728539619	YGZKGOHSIHFFTL-AWEZNQCLSA-N	353.553	4.761	50	20	FJGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730149829	ZORSELMZNNJAPG-WUXMJOGZSA-N	370.405	4.525	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)OCC2(CC#N)CC2)c1C	744278572	JDSXNNUGQWTRHR-MOSHPQCFSA-N	373.456	4.547	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccc(OC(F)F)c3)c[nH]c2c1	747034793	XSNNVZRDHXBALN-RIYZIHGNSA-N	352.340	4.868	50	20	FJGD	
O=C(NNc1c(F)cccc1F)/C(=C/c1ccc(F)cc1)c1cccs1	748161497	MFMIAKVYQLPVCY-SDNWHVSQSA-N	374.387	4.849	50	20	FJGD	
Cc1ccc(Oc2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2)nc1	752386933	RKCLZWPJYVKUAY-ATVHPVEESA-N	373.387	4.867	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1cccc(C(F)(F)F)n1	754246985	LQQHGXOHLNTESR-CHWSQXEVSA-N	363.383	4.533	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccnc(Oc2ccccc2)c1	763608835	CJNGDDIDEPMSTA-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21	780527381	MZWNSSHYVVSOBL-SDNWHVSQSA-N	369.346	4.865	50	20	FJGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1cc2ccccc2s1	788362248	GUTPDSIREIZGSP-SSZFMOIBSA-N	355.422	4.877	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccsc1Cl	790101715	RRESMLDUUQTYEY-IZZDOVSWSA-N	367.257	4.918	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)Nc1cccc(Cl)c1Cl	794932864	ZUYIGXXORACCAH-SOFGYWHQSA-N	369.154	4.523	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1cc(Cl)cc(Cl)c1	794935727	SYFGYZILTPVWMK-UITAMQMPSA-N	354.139	4.767	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(-c3ccccn3)c2C)cc1	801647873	RASVAIKHYZADML-ZHZULCJRSA-N	370.456	4.627	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1OC(F)F	810217606	IJUGALRTIBQTGX-JYRVWZFOSA-N	363.747	4.740	50	20	FJGD	
CCC(C)(CC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	821572799	QJGQHGSKOBAYHG-UHFFFAOYSA-N	374.375	4.977	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)F)ccc1OCc1ccccc1	834446917	GGFLIHRKKRYUGO-LDADJPATSA-N	367.420	4.888	50	20	FJGD	
CN(CC1=CCSC1)/C(=C/C#N)c1ccc(Br)c(Cl)c1	852747057	WJRNMKXHGVQJTI-SYZQJQIISA-N	369.715	4.572	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C(C)C)C2CC2)c(C)n1C1CCCCC1	914471282	SNVRAOQJXVBBLQ-UYRXBGFRSA-N	353.510	4.917	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccccc3F)o2)c1C	1322116871	UWNDWENADCXZOK-LFIBNONCSA-N	350.397	4.768	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1	153506770	VSYJZBSABNBNLE-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)o1	155189107	ZDUNNCZFVGGQJK-JYRVWZFOSA-N	350.340	4.613	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccc(C#N)cc2)c1	182072137	RKVKJIOTGACVKR-UHFFFAOYSA-N	351.475	4.658	50	20	FJGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NCC(F)(F)F	185557878	MKZIBLOTXDZVNT-SSDOTTSWSA-N	372.281	4.823	50	20	FJGD	
N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccccc1Oc1ccccc1	213961154	URXQYIZFCNUEBO-LGMDPLHJSA-N	356.381	4.730	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(Br)cc1)c1ccccc1Cl	727485184	FKCIVNHPJMEBPJ-KHPPLWFESA-N	365.658	4.649	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(OCC(F)(F)F)cc3)[nH]c12	735620425	ZUJASXDLAGSAGA-NTEUORMPSA-N	357.335	4.877	50	20	FJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1F	739426111	IQDHBIKTJCKQTM-LFIBNONCSA-N	361.420	4.943	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	741473120	GDXWWJVJUQOLKL-MCRQTXEHSA-N	370.456	4.847	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@H]1CCCC[C@@H]1C	748672391	GFRAWZXRBYJMGR-KSSFIOAISA-N	360.523	4.918	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC	749449956	ATQCOBFKYQUGMF-JIHKLPAASA-N	364.445	4.727	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1CCCOc2ccccc21	750338079	HJRJFEXGJQIOFM-CQSZACIVSA-N	366.248	4.533	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1	762002958	KCHIWBUBTYRZBA-GOSISDBHSA-N	372.468	4.781	50	20	FJGD	
COc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1F	763102841	SPEYJUPHECNWPQ-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
CCn1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c2ccccc21	768009323	OKMOOMNALAJDAQ-UHFFFAOYSA-N	366.223	4.864	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c1OC	780375814	ZWBWAOCUKXBSHD-NTEUORMPSA-N	361.319	4.512	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794690083	FSGFRCGPRPWGND-RIYZIHGNSA-N	361.367	4.803	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccccc1SC[C@H](C)C#N	799399031	ZEVDLMCYJBFEOA-CQSZACIVSA-N	368.506	4.958	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)ccn1C(C)C	846376778	FRXHEZNMTSWGNU-UHFFFAOYSA-N	359.779	4.807	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-n3cccn3)cc2)cc1	884003886	RUYWLPCJLDIFIL-FABDANFUSA-N	370.456	4.931	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(COC)c2)c1C	914509276	WUPMUONZPRSXOS-MOSHPQCFSA-N	365.477	4.597	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(Cc3ccccc3)n2)cc1	915371567	WNXMNPRHLIININ-ODLFYWEKSA-N	374.465	4.693	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc2c(Cl)c(Cl)ccc2[nH]1	918014174	MYCYSLNEMGCXOH-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(Cl)ccc2OC(F)F)cc1Cl	1322318390	CGNVURADQCTPNF-UHFFFAOYSA-N	361.175	4.660	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1O	6341856	JKFJABWGCWUZJE-RIYZIHGNSA-N	360.335	4.574	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2occc2CSc2ccccc2)c1	136126775	WMNMQVOOYMDOJS-UHFFFAOYSA-N	352.459	4.946	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)c(Br)c1	165349549	FCIBEWIIQFCOKR-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O[C@@H](C)C#N)cc2)cc1	208005214	PIFAQDPDCCIEFD-TYSUYXETSA-N	373.456	4.866	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CCCC(C)C)c1C	214457968	DFUFCIFOYPPCAQ-KQOXESIYSA-N	373.541	4.550	50	20	FJGD	
O=C(NCCC1(O)CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	285523624	QQXXTYDBBLGWAP-UHFFFAOYSA-N	360.348	4.771	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCCO[C@@H](c2ccccc2)C1	729846756	DQYQDDATHUOUMY-ZWKOTPCHSA-N	365.564	4.691	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735618619	CQRBCSMKBLTXHD-WJDWOHSUSA-N	371.419	4.877	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)cc1	741310225	JJZJRFHOEZUACO-GYZOOYGHSA-N	374.396	4.562	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2ncc(-c3ccccc3)o2)cc1	741310226	JJZJRFHOEZUACO-PWDRBQJJSA-N	374.396	4.562	50	20	FJGD	
Cc1ncccc1NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	744775215	YLEYGKOWCMZJCS-CPNJWEJPSA-N	362.477	4.859	50	20	FJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@H](CSc2ccccc2)C1	750055751	PNGWTMABHQKGGH-FCASDWRQSA-N	365.458	4.573	50	20	FJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1c(Cl)cccc1Cl	763615468	DSRMQEPDLAMIDB-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)OCC2CCC(C(F)(F)F)CC2)c1	770326486	UZMPEAXUMQHDRS-DHDCSXOGSA-N	367.367	4.514	50	20	FJGD	
CCC(CC)[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1cccs1	787138961	OUZZNJCPYURSBN-APEZIOSESA-N	354.475	4.654	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)C1CCCC1	794690791	KJEONFHPJWRRHC-DHDCSXOGSA-N	359.351	4.557	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C(C)C)oc1C	802829120	KOOSNHWVUVSPHD-UHFFFAOYSA-N	351.244	4.539	50	20	FJGD	
O=C(NCC(Cl)Cl)c1ccccc1-c1ncc(-c2ccccc2)o1	808128868	HIFCMRYDGMWKEM-UHFFFAOYSA-N	361.228	4.542	50	20	FJGD	
CC(=O)Nc1c(C)ccc(NCc2ccc(OCCCCl)cc2)c1C	811468850	KPCCTJKORKLSJV-UHFFFAOYSA-N	360.885	4.882	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCCCl)cc2)cc1	811686628	YIQUNYNHRAAIFJ-GHRIWEEISA-N	354.837	4.548	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)c1cc(C(F)(F)F)ccn1	812246258	HLKCGZKQKDLQMO-GHXNOFRVSA-N	354.278	4.808	50	20	FJGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1cc2ccccc2o1	814867221	VFTJNIJDXSTUGJ-OXQOHEQNSA-N	362.429	4.501	50	20	FJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c2ccccc2n1	913188351	PIUWPRPUIVMVIJ-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
N#C/C(=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)c1ccccc1	915981541	SEUZWHQDKNCYBM-VBKFSLOCSA-N	367.330	4.681	50	20	FJGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccc(Br)cc1	1317854250	XIPANZKTYCZNTO-UHFFFAOYSA-N	373.294	4.923	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)c(F)c2)sc2cccc(F)c12	175464271	DYJJOOPUHUEOQI-UHFFFAOYSA-N	354.328	4.523	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cnc2ccccc2n1	588580053	AEKHEAIMDMQXRK-KAMYIIQDSA-N	368.352	4.862	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@H]2CCCN2c2ccccc21	732123156	QVBQPPWICAVGMD-CVEARBPZSA-N	362.564	4.716	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)N(C)c1ccccc1	732716230	LNLQEPJTVKAFMB-JYRVWZFOSA-N	361.228	4.572	50	20	FJGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1csc2ccccc12	734668955	JSXGHLLGQNXJFR-SECBINFHSA-N	365.380	4.706	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2cccs2)c1C	735018724	URWWDYIDFHDZMQ-SFQUDFHCSA-N	355.507	4.535	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	749274151	HSGSFSHJLOMSCL-UHFFFAOYSA-N	356.775	4.780	50	20	FJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1ccccc1Br	750912628	HCUZABIARSTGBM-ILYHAJGMSA-N	367.246	4.941	50	20	FJGD	
O=C(NN=Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccc2ccccc2c1	755656206	USARFYZPIDFHKC-UHFFFAOYSA-N	374.831	4.647	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)c1ccccc1OC(F)F	761478435	HADAOVNNXGYKRL-JXMROGBWSA-N	369.154	4.780	50	20	FJGD	
CCCCNc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	764607773	PADJLKZDZDKZRL-UHFFFAOYSA-N	367.371	4.554	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1OCC1CC1	768011706	PTUFYJQCYINDPB-UHFFFAOYSA-N	369.223	4.678	50	20	FJGD	
COc1cc(NNC(=O)c2sccc2-c2ccccc2)ccc1Cl	790181022	RAJIURPCBFSSKM-UHFFFAOYSA-N	358.850	4.834	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	794930962	HWYIGSPLGCEICS-OVCLIPMQSA-N	368.820	4.509	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cs2)cc1	796981045	FBJQAVUCCIVVPX-GDNBJRDFSA-N	363.398	4.791	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(O)ccc2Br)s1	797399951	YGIWCORKGBVQRM-IZZDOVSWSA-N	363.280	4.973	50	20	FJGD	
COCCCOc1cccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797405734	GERSRPYUZVFFFR-WJDWOHSUSA-N	356.491	4.920	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=C1CCC[C@@H](c2cccnc2)C1	799870312	GOBIYDMNTPNPSB-OAHLLOKOSA-N	371.481	4.533	50	20	FJGD	
Cc1ccc(-c2ccsc2C(=O)NNc2nccnc2C2CCC2)cc1	805472946	PYWGZEJGIVJZKB-UHFFFAOYSA-N	364.474	4.538	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(C(=O)O)c3)n2)cc1	809154968	KUPLTSFFFJAJOZ-OVCLIPMQSA-N	362.410	4.587	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812246409	KVLREVNVSWEIPF-XNTDXEJSSA-N	362.351	4.580	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)c1cc(C(F)(F)F)ccn1	812248275	INMGLSUXIGZLNM-XCVCLJGOSA-N	352.699	4.547	50	20	FJGD	
COCc1c(C(=O)NNc2c(C)cccc2C(C)C)oc2ccccc12	812770014	YDTREMSFKRAHPN-UHFFFAOYSA-N	352.434	4.768	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)cc1	817915413	LWAWFOHUVDNFTM-SEYXRHQNSA-N	364.367	4.651	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccccc1Br	914324066	LUIGFXLWSJMHFP-ZDUSSCGKSA-N	374.369	4.779	50	20	FJGD	
COc1cc(-c2ccccc2)ccc1C=NNC(=O)c1ccccc1Cl	1319962647	FSBBKDKWLJGTFU-UHFFFAOYSA-N	364.832	4.780	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1	7167544	ZCIFKUQBCQDWRE-BRFSQIRFSA-N	364.445	4.763	50	20	FJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(Cl)c(F)c3)s2)o1	175442765	YWHQEECFKLIPJV-UHFFFAOYSA-N	365.817	4.569	50	20	FJGD	
CN1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	192260380	OPOYXBXZPYLXKR-UHFFFAOYSA-N	359.364	4.513	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cl)cc1F	255075372	XINPXVNZXGMGKD-PXNMLYILSA-N	365.795	4.514	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(C(C)=O)cc1	267166739	SQRDIADXGFJYDA-UHFFFAOYSA-N	366.486	4.768	50	20	FJGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccc2ccccc2c1	731486028	AZSDYWWTHSWQCO-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=CC2CCC(C(F)(F)F)CC2)c1C	767366474	FHEGEJDANWRREX-FHERZECASA-N	370.415	4.541	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccccc2)c1C	768746098	DGZQBUPEMIIZGM-KQOXESIYSA-N	366.461	4.524	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)c1ccccc1OC(F)F	775639039	KPGPGZYZQLQZHJ-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(Cl)cc4c3OCC4)n2)cc1	782886833	HSZLUGKTHSPKHP-PXNMLYILSA-N	363.804	4.698	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1)c1ccccc1	787145343	PWRCUXHAWYWPPF-UAPYWLNTSA-N	367.452	4.923	50	20	FJGD	
Cc1ncsc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	787177082	DXLGQGGNVRERLN-WUFUFFIZSA-N	366.273	4.543	50	20	FJGD	
COCCOc1ccccc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788328247	MYCPKUTZPHCTKK-ATVHPVEESA-N	363.438	4.716	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)c1ccc2ncccc2c1	794885803	WGANGYZTMNZFDR-WJDWOHSUSA-N	350.324	4.626	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc(C3CCC3)c2)cc1C(F)(F)F	798982187	FXVDUBSWVRXIAL-UHFFFAOYSA-N	359.351	4.601	50	20	FJGD	
Cc1ccc(-c2csc(COC(=O)/C(C#N)=C\c3ccccc3)n2)cc1	803484022	OVWRYRSKZQQSTO-WQRHYEAKSA-N	360.438	4.769	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1	817565041	IZQDOYZQKVXANH-HUUCEWRRSA-N	350.300	4.550	50	20	FJGD	
CC(C)(CCCN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191329	YQUOJUFNUZJONA-UHFFFAOYSA-N	361.380	4.983	50	20	FJGD	
CCOc1ccc(NNC(=O)CCCc2cc(Cl)sc2Cl)cc1	857512184	JHGNMYYKBJQUFQ-UHFFFAOYSA-N	373.305	4.920	50	20	FJGD	
C[C@@H]1CC[C@@](NCc2cccc(O[Si](C)(C)C(C)(C)C)c2)(C(=O)O)C1	1776630164	OYKIUBKSSOPYDK-QRWLVFNGSA-N	363.574	4.804	50	20	FJGD	
C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CCC)cc2)CCC1	1786447205	XRCYSKHXVBDRED-MLHRZWGQSA-N	374.912	4.660	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1	61430865	ZBKCFXVECAVJFQ-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cccc(OCc2cccs2)c1	158530213	OCKYELJGFCVUCI-UHFFFAOYSA-N	358.850	4.737	50	20	FJGD	
C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	183465337	DBJVKIBFJATWCT-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
CC1(CNC(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	193510935	WITAFZGIEWBJIW-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1	588554952	FPGKAVUMJXYANL-ZROIWOOFSA-N	371.405	4.733	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CC(C)(c4ccccc4)C3)cc2C1	729636675	NKZYCKYEIOVDRM-CKAQCJTGSA-N	352.503	4.710	50	20	FJGD	
CCC[C@H](C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005213	ONQNCWLCAMIGRR-ZETCQYMHSA-N	354.075	4.635	50	20	FJGD	
CCCOc1ccc(CCC(=O)NNc2ccccc2C(F)(F)F)cc1	742516463	ACNZKRXPLHZOLR-UHFFFAOYSA-N	366.383	4.570	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2nc(C(F)F)[nH]c2c1	752811149	RQHVLPFAEZBZCR-UHFFFAOYSA-N	371.174	4.564	50	20	FJGD	
CCC[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1	761591807	VPGSBFHHWWQXLL-INIZCTEOSA-N	352.356	4.612	50	20	FJGD	
N#C/C=C\CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	763302002	RACFUQVRWKIXLM-PLNGDYQASA-N	366.877	4.683	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(Cl)c(C(F)(F)F)c2)ncn1	773177339	VKLWEZWMJRATAB-WMZJFQQLSA-N	355.772	4.935	50	20	FJGD	
Cc1ccc([C@@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)cc1	774842611	BCQWNUPUJBYTTI-HXUWFJFHSA-N	363.441	4.660	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)c1ccc(OC(F)F)cc1	776259589	LBPJWKOOFITODA-QINSGFPZSA-N	372.371	4.661	50	20	FJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)NCc1ccc(F)c(F)c1	786054582	WRFXQRWGIXEDIR-XYOKQWHBSA-N	372.758	4.588	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(C)cc2-c2cnn(C)c2)c1	801648209	OMYFSVHNNQSMAG-RGVLZGJSSA-N	355.441	4.802	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccccc2SCc2ccco2)cc1	817915754	SKMJYPZDOZCIHN-UHFFFAOYSA-N	368.458	4.728	50	20	FJGD	
Cc1cccc(NNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1	912634620	NMCRTPUMBHJZKY-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(F)cccc2F)c1C	912706511	PSEASICBGSSGPX-LFIBNONCSA-N	357.404	4.729	50	20	FJGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)s1	919763433	BBUGXDASJBJQDI-WSLMLHKMSA-N	369.534	4.915	50	20	FJGD	
COc1ccc2sc(C(=O)NNc3ccc(C)c(Cl)c3)c(C)c2c1	1116148583	KISSSMIXSGRSNH-UHFFFAOYSA-N	360.866	4.937	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)cc1	1347737600	BMXKWPJKMDYQEF-FPYGCLRLSA-N	351.233	4.549	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc3oc(C(=O)O)cc3c2)s1	1776277062	LTELSJOXMVUHNB-NTUHNPAUSA-N	352.415	4.949	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(Oc2ccncc2)c1	112724477	WJIQFPNJGGPHOC-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
N#Cc1ccc(Oc2cccc(C(=O)NNc3ccc(Cl)cc3)c2)cc1	120272223	LINDGJULLNBPBV-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	132471072	ONGXGHFKYUONEY-ZSOIEALJSA-N	361.228	4.685	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)c1	158951936	MQOZKQACKXYDKM-UHFFFAOYSA-N	369.465	4.716	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)s1	177892061	QGPTWFXNJFMESD-VQHVLOKHSA-N	353.230	4.609	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC	207896076	DNZDZBVMHGYZKY-WJDWOHSUSA-N	360.413	4.755	50	20	FJGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(C(F)F)cc1	726495353	NSPQVCZHXZGCLW-UHFFFAOYSA-N	352.384	4.976	50	20	FJGD	
Cc1ccc(C2CC(=NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)C2)cc1	729816310	HGKQVWXHPOOKEH-IURRXHLWSA-N	352.503	4.845	50	20	FJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1	731488377	FGKGGYWZDFDELL-YFVDUCKESA-N	368.811	4.543	50	20	FJGD	
CSCC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	736056650	KHKMKVOPWRGVKZ-DQPIFXJKSA-N	373.566	4.775	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)sc1C	741475175	VYGRQSCDUMKDNZ-NTEUORMPSA-N	354.866	4.972	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C/C=C/c1ccc(F)cc1	747742578	WQJNJDVMOXKUGC-HSIPGSDPSA-N	365.433	4.687	50	20	FJGD	
O=C(NNc1ccccc1Cl)C1(c2cccc(C(F)(F)F)c2)CC1	748319181	ZYLJVWSGQXTTQY-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
O=C(NNc1nccc2sccc12)Nc1cc(Cl)ccc1Cl	748821724	LNIUSKZNNPSGBU-UHFFFAOYSA-N	353.234	4.752	50	20	FJGD	
C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)C(C#N)=C1Nc2ccccc2N1	753468142	ACUFGRRFLACPFT-SNVBAGLBSA-N	373.840	4.802	50	20	FJGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)c1ccc2ccccc2c1	768483573	PSMGQJBFUHVUKW-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNc1ncccc1Cl	770059761	ZBEDMOYCHVPOJU-UHFFFAOYSA-N	362.861	4.507	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(Cl)cc(Cl)c1	782178720	HXCZRIDMEGXBOH-FPYGCLRLSA-N	368.201	4.509	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC(CCO)CC2)cc1	792865906	DAHMHFCPOFKXOB-UHFFFAOYSA-N	363.618	4.803	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC(C(F)F)CC2)cc1	799470480	GFRNIXBLPRTQMW-UHFFFAOYSA-N	352.425	4.653	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(-c2ccccc2)n1	812247172	ZVLJVQZOSRWFGJ-NTEUORMPSA-N	354.335	4.565	50	20	FJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1cccc(Cl)n1	817011405	SDRJOHKXISONQH-UHFFFAOYSA-N	364.685	4.569	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C(=O)CC3(CCC3)C2=O)cc1	853705502	NCSLQSCLYNTVNY-UHFFFAOYSA-N	373.569	4.638	50	20	FJGD	
C[C@H](OCc1ccccc1)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	915188202	JSKRBJSIONNBTQ-JTQLQIEISA-N	373.667	4.695	50	20	FJGD	
O=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl	916359822	AZBFXWJSZDLNTR-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
O=C(NN=C(CC(F)(F)F)c1ccccc1)c1ccc2ccccc2c1	917545048	LWQDLTGSJLHPCW-UHFFFAOYSA-N	356.347	4.926	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1csc(-c2ccccc2F)n1	920790619	BQWFNBGYAUJPHM-UHFFFAOYSA-N	372.377	4.693	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12	921258772	BIKZWXXSKVKVOC-NTEUORMPSA-N	370.330	4.899	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NCc2cnc3n2CCOC3)c1	921997952	AZTJYEZQNSOQNS-UHFFFAOYSA-N	355.332	4.683	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2c[nH]c3ccc(C(=O)O)cc23)cc1	1776271687	YKJRKRBZCNNDIE-YBEGLDIGSA-N	372.424	4.953	50	20	FJGD	
CCC[C@](C)(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776750899	WTUZXMSEFYQHNR-IBGZPJMESA-N	351.563	4.804	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1OC(F)F	83015679	WKDAIALNAXTFRL-GHXNOFRVSA-N	350.390	4.941	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(Oc3cnccn3)cc2)c1C	174188758	FEDNEIFHJWPPCI-PDGQHHTCSA-N	355.397	4.676	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccncc3)c3ccccc3n2)c(C)c1	180457933	MSATYIZRVSIQJG-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1SC(C)C	181270071	FMFBWQYYMHDQHE-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184427130	KAUCOPAEYWCZFH-NXEZZACHSA-N	362.364	4.873	50	20	FJGD	
O=C(C[C@@H]1CCCOC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	193474493	JFGJKWXERUUFGK-HZMBPMFUSA-N	367.820	4.661	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OC)c1	207910728	QKKZMERIDCMEBN-UYRXBGFRSA-N	365.429	4.524	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCc2cn[nH]c2C1	273886343	SCDCYWQGOYSZJX-VIFPVBQESA-N	367.343	4.811	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ncc(-c4ccccc4)[nH]3)c[nH]c2c1	588598582	QMZVHXRQTZQRRL-MHWRWJLKSA-N	352.397	4.656	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3ccc4ccccc4n3)cc2)oc1C	727969993	SYORQLKJOBWINH-UHFFFAOYSA-N	373.416	4.655	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(SCC)c2)cc1	733784896	VCRFKCMGRASKGN-VBKFSLOCSA-N	352.459	4.743	50	20	FJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	734980105	FTFJTBAYBYSZRP-UKTHLTGXSA-N	362.376	4.995	50	20	FJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ncccc2C(F)(F)F)cc1	740101097	XTIGINORCNMLID-CYBMUJFWSA-N	365.399	4.861	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(Cl)nc3)c(F)c2)cc1	743819089	ADHIGMNVEXCWIZ-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)CCc2nc3cc(Cl)ccc3s2)c1	748414239	IICZHQKJZHGAJF-UHFFFAOYSA-N	359.882	4.642	50	20	FJGD	
CS[C@@H](C)CNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	752176095	MXVZUNIOHOTBIG-GZMMTYOYSA-N	372.865	4.779	50	20	FJGD	
Cn1cnc2cc(/C=C(\C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21	761198038	FRQFVYXUHDRWMM-CAOOACKPSA-N	367.437	4.633	50	20	FJGD	
CC(C)Cc1csc2nc([C@@H]3CC[C@H](Br)C3)nc(O)c12	765983311	SYCPVJUNTVJGLZ-KOLCDFICSA-N	355.301	4.626	50	20	FJGD	
Cc1ccc(F)c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1F	766283634	CPKNSOVFFDOUBK-UHFFFAOYSA-N	365.594	4.990	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCCOc2c(F)cccc21	778059669	XCGMNOIKJKPZIQ-XJKSGUPXSA-N	369.527	4.870	50	20	FJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccccc1OC(F)(F)F	779207030	JTANUTBZQWRXNS-PKNBQFBNSA-N	370.758	4.785	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3ccccc3F)on2)cc1	780806549	XTQBNEKJIMVLOD-UHFFFAOYSA-N	353.397	4.535	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c(Br)c1	794692203	UJGCVWBTMGJWNV-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)s1)C(=O)C1CCOCC1	794953997	QJSIZABMVZJQOW-KAMYIIQDSA-N	357.862	4.971	50	20	FJGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1ccccc1F	799466490	FAXFAGGEXZIYLA-UHFFFAOYSA-N	351.425	4.781	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	799757905	OALJCJGDQAACCO-UHFFFAOYSA-N	373.456	4.567	50	20	FJGD	
Fc1cc(CNCc2ccc(OCCCCl)cc2)ccc1OC(F)F	816650764	AWRPFZNZXMZOJK-UHFFFAOYSA-N	373.802	4.725	50	20	FJGD	
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)Cc2ccccc2O1	816723258	RPUJBAPFNCYSRX-GOEBONIOSA-N	351.537	4.510	50	20	FJGD	
CN(C)CC(C)(C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836498483	QEQDBNWKIUBOGY-UHFFFAOYSA-N	361.380	4.806	50	20	FJGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1	915984577	AFUCGLCQAICUHO-GDNBJRDFSA-N	369.490	4.773	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc3c2OCCO3)cc1	917516628	BPXISXTZOYQPHB-VUODPORTSA-N	362.429	4.517	50	20	FJGD	
C=CCCC[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776207219	AKRZUDJZQCLJJG-GOSISDBHSA-N	363.574	4.970	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(/C=C\C(=O)O)cc2)cc1	1776697505	HBDIWXGDCWTXBS-LTAUGFAJSA-N	374.440	4.844	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccc(F)cc1	7350290	HZWNUOYWOATTGB-RVDMUPIBSA-N	365.795	4.763	50	20	FJGD	
Cc1cc(F)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	7749383	LMKXIPRYRAAKJS-VCHYOVAHSA-N	353.441	4.754	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2F)c(C)n1[C@@H](C)c1ccccc1	153171749	KYLBLEWPEGWSGS-HNNXBMFYSA-N	351.425	4.610	50	20	FJGD	
CO[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184406035	PVPQCFXXTOMDGD-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1CO	192262218	SDSOJKLLZPWNKB-BXKDBHETSA-N	360.348	4.579	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1F	213180564	DGCPYEGPLLKYQN-XFFZJAGNSA-N	350.176	4.931	50	20	FJGD	
O=C(CSc1ccccc1Cl)NNc1ccccc1C(F)(F)F	301218242	MPNWAKCGXGQEND-UHFFFAOYSA-N	360.788	4.594	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccc(C)s2)c1C	303759184	NYHZGOHMGFPSDD-YQNUULROSA-N	369.534	4.539	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)[C@@H](C)CC)o2)cc1	726429638	MMCVLDLELZFDHS-VMOJBDSFSA-N	351.402	4.645	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CCC[C@H](C3CC3)C2)cc1OC	737422562	JRPQOQLRPMJLKK-INIZCTEOSA-N	358.482	4.560	50	20	FJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(C#N)o3)c2C)cc1C	742350387	ZGXMARKNQZFJRC-WQRHYEAKSA-N	369.424	4.966	50	20	FJGD	
C/C(=C/C(=O)NNc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	742516716	HYYDDLXOYFHWDW-FLIBITNWSA-N	354.759	4.905	50	20	FJGD	
C[C@@H]1C[C@H]2CCCC[C@H]2N1CCP(=O)(c1ccccc1)c1ccccc1	744403740	XVGSKWRZSWCGRZ-TXTKFYIRSA-N	367.473	4.654	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(O)c2C)c1C	747947159	PARDXZLLHXMXND-UNOMPAQXSA-N	365.477	4.773	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1	748561447	JKWSWDQWLQIZCX-UHFFFAOYSA-N	354.347	4.574	50	20	FJGD	
Cc1ccc(-c2ccsc2C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1	748692661	CFZFYWRJQAHAPK-UHFFFAOYSA-N	367.430	4.697	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccc(Cl)cc2)cn1)c1ccccc1	749273205	FWLRQMPSHIIJRZ-CQSZACIVSA-N	367.836	4.632	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3nc(-c4ccccc4)no3)co2)cc1	749887737	YTFFDZWCGSJZPC-BOPFTXTBSA-N	354.369	4.764	50	20	FJGD	
O=C(NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1	761724484	WHDFGHWZRHRNCL-UHFFFAOYSA-N	361.367	4.544	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2C)cc1	764884645	GPUCAIQWVADFKB-FYJGNVAPSA-N	355.441	4.647	50	20	FJGD	
O=C(NNc1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	770032744	QLKSYYGHAAOVSB-UHFFFAOYSA-N	364.361	4.536	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c(-c2cccs2)n1	773154035	KFKINPIFQGMIEB-GHXNOFRVSA-N	371.824	4.731	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(C(F)(F)F)cc1Cl	775605081	WKBWACRZTFNWSU-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccc4ccccc4n3)s2)c(C)c1	777465650	UPDNSGJDJXHGJM-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)C1CCCC1	781552938	GRRGYEKDLVTBHX-PTNGSMBKSA-N	352.415	4.990	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccccc1C(F)(F)F	789952021	PRTPGGKMPHKDTC-JTQLQIEISA-N	374.815	4.983	50	20	FJGD	
CC1(C)Cc2cc(C(=O)NNc3ncccc3F)sc2-c2ccccc21	804218300	UGKWPOJPSBCFLX-UHFFFAOYSA-N	367.449	4.540	50	20	FJGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)c(C)n1[C@@H](C)c1ccccc1	808247222	UHSNCAIAZOPYSQ-ZDUSSCGKSA-N	353.293	4.590	50	20	FJGD	
O=C(NN=Cc1cscc1C(F)(F)F)c1cc2c(s1)CCCCC2	811635974	SPAWIPMZJOWHST-UHFFFAOYSA-N	372.437	4.861	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1OC(=O)CC	840719512	USGXHJCSZUOBAH-XNTDXEJSSA-N	369.442	4.561	50	20	FJGD	
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCC[C@@H]1CCSS1	841465462	GRXLMCHGPOSKGK-AEFFLSMTSA-N	360.548	4.766	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2N(C)C)c1C	914725271	SPRWRARFICAKNQ-XMHGGMMESA-N	364.493	4.517	50	20	FJGD	
CCCCN(C)CC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	918703120	NRMQYKOUFOQIDR-GOSISDBHSA-N	372.644	4.671	50	20	FJGD	
O=C(CCC(=O)c1ccccc1)NNc1c(Cl)cc(Cl)cc1Cl	68734870	UEKZYYVFUVFRPI-UHFFFAOYSA-N	371.651	4.753	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cc2cccc(C)c2nc1Cl)c1ccccc1	731932342	HUJCOXDUVHAMBW-SFHVURJKSA-N	365.864	4.841	50	20	FJGD	
CCCC(=NNC(=O)c1cc(Br)ccc1O)C1CCCCC1	741773922	OYYBNPHXHLZLAC-UHFFFAOYSA-N	367.287	4.621	50	20	FJGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)NNc2ccccc2)cc1	745857061	PCYZJUAHDQXGIZ-MRXNPFEDSA-N	361.445	4.750	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	748551322	IMSAPLZZRDHPAX-NLKGSNSHSA-N	370.390	4.726	50	20	FJGD	
O=C(NC[C@H](O)c1ccco1)Nc1ccc(S(F)(F)(F)(F)F)cc1	753926228	UOWNZPKFDRGRMI-NSHDSACASA-N	372.315	4.792	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(Cc2cccnc2)CC1	770878188	WXIGYSSZKNFXBO-GOSISDBHSA-N	364.580	4.577	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(Cl)cs1	779751149	GOWMGRGIYHPBAG-ONNFQVAWSA-N	367.257	4.918	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cc(Cl)cs2)n1	779798650	MKPNLIHQMVCOJG-RUDMXATFSA-N	351.884	4.701	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1OC	780375260	VEFQRDVTAWELTE-RIYZIHGNSA-N	361.319	4.512	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)CC(F)(F)F)c(C)n1CC(C)C	782818659	WMXIVNVLJZMXPW-LZYBPNLTSA-N	369.431	4.515	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cnc(-c3ccco3)s2)c(C)c1	788098423	MTFMUYDCMSXAOW-DHDCSXOGSA-N	363.442	4.874	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1scc(C)c1Cl	790884081	RSHPFVGKWILOKC-UHFFFAOYSA-N	373.703	4.792	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(Br)cc2)c1	794873191	BZKZMAHWYZVCLC-ZROIWOOFSA-N	372.266	4.547	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cccc(F)c2)cc1)C(=O)[C@@H]1CCCOC1	794885058	SYIIWMMQYMGJOP-FEEIMYBTSA-N	351.377	4.521	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)[C@@H](Sc1ccccc1)c1ccccc1	817005180	IHJMTMXUPRCPEK-SFHVURJKSA-N	369.877	4.712	50	20	FJGD	
CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	817311764	KENZUKHKFAGEJW-GFCCVEGCSA-N	373.391	4.902	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccccc3Cl)cs2)cc1	1115878412	NDKBQBBUOYMOBF-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1OC(F)F	7158544	RMMUMUGAYYNZHI-RVDMUPIBSA-N	372.371	4.541	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C	23724072	YQUYINXNNDLEOG-LICLKQGHSA-N	363.417	4.881	50	20	FJGD	
COCCOc1cc(C)ccc1NC(=O)CCCC[C@H]1CCSS1	108550936	PMECUWHXBLKCRU-HNNXBMFYSA-N	369.552	4.673	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NC1CCCCC1	186996213	XFEYVYLKHKEGGK-UHFFFAOYSA-N	372.359	4.731	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1	205609207	UXXRRMDYLAEGKA-GDNBJRDFSA-N	363.417	4.803	50	20	FJGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	727791347	BKIOUUJOHNQEDQ-LBPRGKRZSA-N	359.297	4.751	50	20	FJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccc(F)cc1	734366516	VPPQYTFHPYXROU-ZRDIBKRKSA-N	368.314	4.910	50	20	FJGD	
N#Cc1ccc(NNC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cc1	748116674	BWFKGRFSZHIBEV-ZRDIBKRKSA-N	363.417	4.582	50	20	FJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNc1ccc(F)cc1F	748270087	FSNVYEODAWBZRP-UHFFFAOYSA-N	368.383	4.544	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)o1	748840298	DBSQPTJYEKYECT-UHFFFAOYSA-N	362.307	4.848	50	20	FJGD	
COc1ccc2cccc(CC(=O)NNc3ccc(C(F)(F)F)cc3)c2c1	754084665	NMPDXOSQYDLCTG-UHFFFAOYSA-N	374.362	4.553	50	20	FJGD	
CC(C)n1ncc(C(=O)NNc2cccc(Cl)c2)c1-c1ccccc1	754174788	VOSLENLTLDBDTG-UHFFFAOYSA-N	354.841	4.541	50	20	FJGD	
CC(C)n1ncc(C(=O)NNc2cccc3c2CCCC3)c1-c1ccccc1	754283698	WXOXDXHSWGCREG-UHFFFAOYSA-N	374.488	4.767	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccncc2)c1C	757680494	YTDSRXDNUOOTDN-UOBPLZBXSA-N	351.450	4.511	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(Br)cc1)c1cccc(Cl)c1	768934294	NAFKWEYRPMYNDL-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)c1cc(F)cc(F)c1	772176844	RELXEIYAHVAFJJ-QDEBKDIKSA-N	355.237	4.913	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2C)ccc1[N+](=O)[O-]	774557396	FGJMXZBPPDVAAW-UDWIEESQSA-N	372.428	4.829	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	777478040	AVKFIYDUAODCRQ-IBGZPJMESA-N	363.461	4.543	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3occc3-c3ccccc3)c(C)cc2c1	778475962	AKRFFUAMJXLGBC-UHFFFAOYSA-N	373.412	4.569	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1	793074064	VDVUFTCMTWEEOB-ODFZLOHPSA-N	367.404	4.761	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1	798982720	NZWATZUGRWOFBY-SNVBAGLBSA-N	374.309	4.554	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1c[nH]c(C(F)(F)F)c1	806565808	RZAVYTPIXSCGAW-WZUFQYTHSA-N	353.731	4.541	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H]2NCC[C@H]2C1	841191122	VRPWWNYVFSGUNI-GWCFXTLKSA-N	371.375	4.560	50	20	FJGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccccc1Oc1ccccc1	846462814	XMNUZAQFDKMEPF-CYBMUJFWSA-N	352.356	4.901	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3ccnnc3)o2)c(C)n1C1CCCCC1	1331942170	WNPHUVQKJHDJOU-WOJGMQOQSA-N	374.448	4.514	50	20	FJGD	
CC[C@@H](C)[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776687961	LOZPNKHDUSRYLF-RHSMWYFYSA-N	351.563	4.660	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1cccc(Cl)c1	14180679	NZNMVJAGKQRRCM-FVECTHPASA-N	367.832	4.688	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1F	18063396	IPKGEGPHXSFPHK-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
Cc1cc(/C=C(C#N)/C(O)=N/c2nnc(C3CC3)s2)c(C)n1CC(C)C	24021959	NDZGOBRXYFPGMK-LZYBPNLTSA-N	369.494	4.685	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1c(Cl)cccc1Cl	44023629	WOAVQJNKQNPHQA-UXBLZVDNSA-N	353.155	4.817	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(OC2CCCC2)cc1	110783430	LSGUBNUOAKMVQI-UHFFFAOYSA-N	364.367	4.784	50	20	FJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1c(Cl)cccc1Cl	171537335	HEKQWQUTWXXKEB-JXMROGBWSA-N	352.608	4.587	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)c1	175230758	FXULSELXOKGZIA-UHFFFAOYSA-N	373.884	4.780	50	20	FJGD	
COc1ccc2sc(C(=O)NNc3ccc(Cl)c(F)c3)c(C)c2c1	175439507	HPCVCGXLUGTQDR-UHFFFAOYSA-N	364.829	4.768	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1c(Cl)cccc1Cl	179174196	ISMFHGCSLJLPDB-ONNFQVAWSA-N	353.155	4.817	50	20	FJGD	
Cc1ccc(C)c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)c1	210339211	UMFLLVJLQDBUHQ-RGEXLXHISA-N	352.484	4.918	50	20	FJGD	
CCc1cccc2c1OCC[C@@H]2NC(=O)CCCC[C@H]1CCSS1	725758395	IBQNGQWUVUCJAO-RDJZCZTQSA-N	365.564	4.903	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1F	727653924	BXPISBDYBBDDFU-ATVHPVEESA-N	359.404	4.591	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccc(C)s3)cs2)cc1	729820359	OGGPYVUXGXXTSM-ZROIWOOFSA-N	366.467	4.979	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1)c1ccccc1	761384163	FQFCOPNAHVEVCW-HFQYIWAZSA-N	365.433	4.610	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)OCc1csc(C2CCCC2)n1	766753489	YFWNJRJBMXKLNL-GFCCVEGCSA-N	360.317	4.654	50	20	FJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2cc(F)c(F)c(F)c2)C1	767094120	PHKIUTOTJFICIV-HIFRSBDPSA-N	372.431	4.703	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c(-c2cccs2)n1	773154200	KFKINPIFQGMIEB-KPKJPENVSA-N	371.824	4.731	50	20	FJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1N[C@H]1CCN2CCC[C@@H]2C1	777622836	ZDSNBDGCGNKBBJ-YWPYICTPSA-N	364.864	4.945	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1c(Cl)ccc2cccnc12)c1ccccc1	781126240	CZZRBGXMZOBPNI-INIZCTEOSA-N	351.837	4.532	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(C2CCCCC2)n1	783687834	FPQVEAITGYFXKZ-ATVHPVEESA-N	359.433	4.582	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(-c2cnn(C)c2)c1	801648266	OZSNXXGNRYLDNX-MFOYZWKCSA-N	361.832	4.839	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1	808247875	UGYPDUBJHKSDKK-UHFFFAOYSA-N	360.187	4.633	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OC[C@@H]3CCCO3)cc2)cc1C	809147028	XBGQFVVVCLTNTJ-IMEWXKHHSA-N	361.441	4.651	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](c2cccs2)C2CC2)c1C	810177845	JVXKGZTZWBRGQW-SQWSFHKJSA-N	367.518	4.751	50	20	FJGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1cccc2ccccc12	814855335	JWANDLANLAOWGB-UHFFFAOYSA-N	358.441	4.989	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(OC)c1C	857574545	UUKNEJXKWKQHQT-UHFFFAOYSA-N	354.475	4.954	50	20	FJGD	
CC[C@H](CCNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776711903	ANUGFACQTCIMGP-MRXNPFEDSA-N	351.563	4.661	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(/C=C/C(=O)O)o2)CC1	1776779067	NEIUDJTURUUUCD-AETJLUGGSA-N	355.434	4.850	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1ccccc1F	11333822	VALCWEVJWDHHQO-SDNWHVSQSA-N	362.316	4.784	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CC2)c1C	22134911	VFPDTQUYMZSHHN-QJUACMODSA-N	361.489	4.689	50	20	FJGD	
CC(=O)c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)s1	27568858	RNQMJALMUJXZLA-UHFFFAOYSA-N	363.653	4.668	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(OCc2cccs2)c1	119112401	ULRFDYVLBWMXJB-UHFFFAOYSA-N	356.422	4.532	50	20	FJGD	
CO[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192260971	FTDGTLGJNZBVMN-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)c1cnc2ccccc2n1	588580988	WZYFYWFFWXYKKF-WJDWOHSUSA-N	369.403	4.636	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c2ccccc21	769730005	WMXGHZLXJPQEDS-FMIVXFBMSA-N	353.784	4.639	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1SCCS1	770264820	ZWEWQFMWQXZJSE-LLVKDONJSA-N	373.874	4.651	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)cc2C(F)(F)F)n1	771837368	IFDCLBXXWNVJML-BJMVGYQFSA-N	370.327	4.542	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1C	772177378	SYDTXXWVRIOCCK-NTUHNPAUSA-N	361.228	4.856	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(C(=O)OC(C)(C)C)c1	777870689	GQUCLWKZDRUPAQ-LFIBNONCSA-N	353.443	4.802	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	794874036	ISOYIOFUSYHUIK-JLHYYAGUSA-N	368.389	4.776	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(C(=O)O)c(C)cc3C)c[nH]c2c1	794935417	QXPDEJRSXQPLED-LZYBPNLTSA-N	358.397	4.581	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]2C[C@@H]21	796032427	KJLRBBWDTXCGCE-SKDRFNHKSA-N	363.373	4.517	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	798344847	NEYHXFRBJDCAEX-MLPAPPSSSA-N	365.330	4.720	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Br)cs1	812766938	PANILWQKPCOYRD-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CC[C@H](C)C3)cc2)cc1	814705921	QKAZTDMEBYUHKY-INIZCTEOSA-N	366.461	4.570	50	20	FJGD	
C[C@@]1(CCNC(=O)CCCC[C@@H]2CCSS2)CC1(Cl)Cl	836914474	JEZWHEAMOIQZFZ-DGCLKSJQSA-N	356.384	4.791	50	20	FJGD	
CC(C)(C)n1nnc(CNc2ccc(S(F)(F)(F)(F)F)cc2)n1	902074954	DOHHAQRXZBTWGK-UHFFFAOYSA-N	357.352	4.698	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccco2)c1C	914496307	VWPPRRYXTBHCOQ-NFBGKYEXSA-N	353.466	4.625	50	20	FJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1	6427508	UPEQBNIWKYNGTJ-OBGWFSINSA-N	364.445	4.810	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2c(F)cccc2s1	45480824	GQSAJVFTLSOXBR-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc(-c4ccccc4)o3)[nH]c(=O)c2c1C	125799911	ARTZFTRQEBIUIU-XNTDXEJSSA-N	373.437	4.926	50	20	FJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccc(C(F)(F)F)cc2)s1	159815635	MROLBJYALXSBQD-CMDGGOBGSA-N	369.412	4.616	50	20	FJGD	
Cc1cc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)ccn1	181320000	VVYZZLPMQGULPF-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CCC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	183566252	WZUOPPRRZQNXQZ-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
CC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1cccc(Cl)c1	321298940	MCJURVLNBWWFFA-KRWDZBQOSA-N	372.317	4.551	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)s2)cc1	734303146	FFEAUIJTWDCHOH-XNTDXEJSSA-N	363.417	4.803	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(OC(F)F)cc1C	742346549	MXKBFAMXORZPJY-ZROIWOOFSA-N	360.335	4.590	50	20	FJGD	
CC[C@H](SC)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	746812557	ZEKRHOTXAJPRJE-CABZTGNLSA-N	357.850	4.986	50	20	FJGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)c2ccc(C)o2)cc1	752174351	HTFVYERFYZTHNO-UHFFFAOYSA-N	354.450	4.672	50	20	FJGD	
Cc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)o1	767878126	JQNACWKXMZUXDA-MLPAPPSSSA-N	356.230	4.542	50	20	FJGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)c1ccc(OC(F)F)cc1	776257699	NIZRXQCNJRNLQK-GXDHUFHOSA-N	368.314	4.765	50	20	FJGD	
CC(C)n1cc2c(n1)[C@H](NCc1ccc(OCCCCl)cc1)CCC2	811490915	VXSPPYUEQIOHCH-LJQANCHMSA-N	361.917	4.639	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1	817565040	IZQDOYZQKVXANH-GJZGRUSLSA-N	350.300	4.550	50	20	FJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(C(C)C)cc3)o2)cc1	837056312	YGLBAXHLYKFDEH-UHFFFAOYSA-N	363.461	4.849	50	20	FJGD	
CCCN1C[C@@H](C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1=O	841175936	NIZFPRRWKTVRJJ-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
C[C@@H](CCCCN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841188949	BYJPXQHWHMLDSL-JTQLQIEISA-N	361.380	4.983	50	20	FJGD	
O=C(NN=C1CCC(=C2CCC2)CC1)c1ccc(COc2ccccc2)o1	853278503	CAJSBAHYAJMTQO-UHFFFAOYSA-N	364.445	4.999	50	20	FJGD	
C[C@H](Cc1ccsc1)NC(=O)NN(Cc1ccccc1)c1ccccc1	919658245	ISSJRHCVVSLJRC-QGZVFWFLSA-N	365.502	4.600	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	921138460	MEFHCCOACQOOJS-NVNXTCNLSA-N	356.208	4.795	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3)s2)o1	1777433580	GPXDTLGWXONLEC-GDNBJRDFSA-N	363.394	4.805	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OC	6935179	OGRHMHNLBJLRCA-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCCC[C@H]1CCSS1	11385421	WYSXXFFJFWOMST-GJZGRUSLSA-N	367.536	4.579	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1C	59270084	PYZLGKJJTURAJM-RIYZIHGNSA-N	350.805	4.928	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccnc(F)c1	153755132	KDPKHYALLGNZRT-ZDUSSCGKSA-N	364.751	4.692	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)cc1	158896061	DMJCIMZXGRJHGS-UHFFFAOYSA-N	374.444	4.704	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)c2ccccn2)c1	159865298	CBTLHISRWLXZGQ-ATVHPVEESA-N	358.445	4.773	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OC	214067045	LRPAORKGFPZYBK-WQRHYEAKSA-N	364.445	4.565	50	20	FJGD	
CN1C(=O)CCc2cc(/C=C(/C#N)c3nc(-c4ccccc4)cs3)ccc21	588507167	UPCHTNAZFBJHQF-PDGQHHTCSA-N	371.465	4.783	50	20	FJGD	
Cc1cc(OC(=O)[C@H](OC2CCCC2)c2ccccc2)ccc1[N+](=O)[O-]	726912316	ROYOXUOKZKWQLY-LJQANCHMSA-N	355.390	4.509	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2csc(-c3cccs3)n2)n1	728440752	TWFBZFOGQPIDTI-POHAHGRESA-N	373.484	4.569	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	748644606	RABQMWFPFFHJJP-RTBURBONSA-N	368.383	4.688	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1cccc(Cl)c1Cl	759069750	BWKNPYZFUDBSDF-DAXSKMNVSA-N	358.637	4.649	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Cl)nc1Cl	761476575	SQVMJYADNVLFBD-XFFZJAGNSA-N	366.635	4.896	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1nccn1-c1ccccc1	764374975	ADISWQUPJQIRJD-MRXNPFEDSA-N	362.520	4.630	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(-c2nccs2)c1	767036449	UVXPHJXMVWAHRO-GFCCVEGCSA-N	353.285	4.558	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc2cc(F)ccc2[nH]1	768008572	HZIHUHKQVYELIV-UHFFFAOYSA-N	356.159	4.510	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1OC	772179829	RXDIULZMVFIZAO-BOPFTXTBSA-N	353.393	4.803	50	20	FJGD	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NNc1c(C)cccc1F	775175435	FHRGDZUNBVSZEQ-HNNXBMFYSA-N	369.362	4.762	50	20	FJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NN=c2cc[nH]cc2)cc1	782050517	VGKODNAMDAKCSN-OAHLLOKOSA-N	364.474	4.505	50	20	FJGD	
C[C@@H](Oc1ccccc1NS(=O)(=O)CCCCCl)c1ccccc1	788060030	UHDJFTDUHDSXOC-OAHLLOKOSA-N	367.898	4.587	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3cc(C)c(Cl)cc3C)c(C)cc2c1	793781539	PVQRUJFTGIMCLY-UHFFFAOYSA-N	369.852	4.579	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cccc(F)c2)cc1)C(=O)[C@H]1CCCOC1	794885057	SYIIWMMQYMGJOP-FDIDWWNZSA-N	351.377	4.521	50	20	FJGD	
O=S(=O)(c1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H]2C[C@@H]21	796032425	KJLRBBWDTXCGCE-CABZTGNLSA-N	363.373	4.517	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	808247146	RLTICRUTNQZRJY-VXGBXAGGSA-N	369.317	4.608	50	20	FJGD	
O=C(NC[C@@H](O)C1CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	836499068	YPQXBHQAFMRZLT-GFCCVEGCSA-N	360.348	4.627	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	917145729	UXJMEXYABBNFLP-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
C[C@@H]1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)c2ccccc2O1	1324792169	YZXGDOFGWWEJCP-IIAWOOMASA-N	351.537	4.729	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)s1	1326775868	GRUCEKXLDRMUAZ-XNTDXEJSSA-N	363.394	4.805	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1ccc(-c2cccs2)s1	1343526284	MFWMMNIGQNJOJG-UHFFFAOYSA-N	351.456	4.782	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)c1C	7971312	DUDZOZDYPKYULA-CPNJWEJPSA-N	365.477	4.768	50	20	FJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)Nc1ccccc1Cl	45110608	HTIGJIKAGTYGEJ-BJMVGYQFSA-N	367.655	4.710	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(C)cc3)c(F)c2)cc1	158783666	QATWVZJMBVCNCF-UHFFFAOYSA-N	350.393	4.567	50	20	FJGD	
Cc1nc(CCC(=O)NNc2ccc(Cl)c(F)c2)oc1-c1ccccc1	175414358	IZHBTYDPNDPHMH-UHFFFAOYSA-N	373.815	4.518	50	20	FJGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2ccc(OC(F)F)cc2)c1C	188853091	DUHPSXODEFAARV-UHFFFAOYSA-N	372.371	4.922	50	20	FJGD	
O=C(NO[C@H]1CCCCO1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192263821	FJDDUXOKZVCYRT-NSHDSACASA-N	362.320	4.924	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1cccnc1	255150774	UHVFTAMZAFPOPB-UDWIEESQSA-N	370.456	4.516	50	20	FJGD	
CC[C@@H](Cl)c1nc(O)c2c(-c3ccc(OC)c(OC)c3)csc2n1	324750210	QBQZOXTWBWCHOS-LLVKDONJSA-N	364.854	4.771	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2c(s1)CCCCC2	725900524	WZDMEACZPAIHSO-UHFFFAOYSA-N	371.893	4.976	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1	726428514	NHDVPGGESJGZSX-UHVIJJLKSA-N	363.417	4.885	50	20	FJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)C(=O)Nc1ccccc1F	734366356	OMGNENPMJMHROI-BENRWUELSA-N	368.314	4.910	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cc2c(nc1O)CCCCC2	737466530	OZIWLAYVGOULLL-UHFFFAOYSA-N	373.456	4.539	50	20	FJGD	
CC[C@@H](NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(F)cc1F	738418683	ZARJQNYSOXDVGD-MEDUHNTESA-N	364.461	4.537	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl	741475294	XQVSVMARFGHJFU-LQELWAHVSA-N	359.832	4.886	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc(Cl)c3)c2c1	746824593	AQVRNIMEIFIEQD-UHFFFAOYSA-N	351.837	4.831	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Cl)c2cccnc12	748008606	ZVJXXWSLYBRDFW-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cnc(-c2ccccc2F)s1	748580955	PUFNFDLUPJSFGA-UHFFFAOYSA-N	367.449	4.585	50	20	FJGD	
O=C(CCc1ccccc1)NN=Cc1csc(-c2ccc(Cl)cc2)n1	749744388	DHHQQIGFAUOGJN-UHFFFAOYSA-N	369.877	4.546	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)c1c[nH]c2cc(F)ccc12	754680174	NAUCMXLKWDKHKI-VZUCSPMQSA-N	374.293	4.837	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(OC(F)(F)F)c1	763615667	RESRKVAGFLSINV-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CN(C)c1nc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc2o1	765544052	FTPREGBXEYFMHI-CYBMUJFWSA-N	365.524	4.546	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cscc1Cl	771841642	PMUFMKIVTPNAHG-WMZJFQQLSA-N	367.257	4.918	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCc2c(Cl)cccc21	775781210	CDCQJWSYDJPPQZ-AWEZNQCLSA-N	354.759	4.532	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2csc(-c3ccc(O)cc3)n2)cc1	780805791	AVZRHQGFGPXWOT-UHFFFAOYSA-N	367.474	4.570	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C)cc2-c2cnn(C)c2)c1	801648208	OMYFSVHNNQSMAG-JAIQZWGSSA-N	355.441	4.802	50	20	FJGD	
Cc1nc(NC(=O)NNc2ccc3ccccc3n2)ccc1-c1ccccc1	810274519	UAWZIFKDSFGVNX-UHFFFAOYSA-N	369.428	4.754	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1ccccc1F	811626677	MKAGMSDQSPFHEA-YHYXMXQVSA-N	365.147	4.831	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1	819850416	YSFQUSLMGUOSOD-UHFFFAOYSA-N	364.272	4.579	50	20	FJGD	
C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	835720843	DKIGIVCZFAYDOT-UHFFFAOYSA-N	372.359	4.611	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2cccc(Cl)c2)c1C	912718165	LXVFTKVWOAXCNR-GZTJUZNOSA-N	370.884	4.609	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(-c3cccs3)n2)cc1	78481804	SCXPJRZHROFVRN-LCYFTJDESA-N	351.456	4.726	50	20	FJGD	
COCCOc1cc(C)ccc1NC(=O)CCCC[C@@H]1CCSS1	108550933	PMECUWHXBLKCRU-OAHLLOKOSA-N	369.552	4.673	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(Oc2nccs2)c1	119993982	VIVHBOWEDLPFGZ-UHFFFAOYSA-N	365.458	4.571	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc(COc3ccccc3)n2)cc1	154287132	PBTRIKBDAYRPHH-GZTJUZNOSA-N	360.438	4.820	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	160756393	LVJLTECPHJCPAX-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
Cc1ccnc(NNC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	176754172	MQBKDYGGOXKCPD-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1	183417065	YNKUEUXIBLFINE-QAIWHXNASA-N	371.415	4.672	50	20	FJGD	
O=C(NOCc1cccnc1)Nc1cccc(S(F)(F)(F)(F)F)c1	184429862	JYWMHLQWHIAZQA-UHFFFAOYSA-N	369.315	4.992	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC(C)C	211455548	UHEKAYAYUCIUPD-WQRHYEAKSA-N	364.445	4.584	50	20	FJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)c1ccc(F)c(Cl)c1	255660465	JCKHBTIIUYXMPG-VZUCSPMQSA-N	360.175	4.570	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1csc(-c2ccccc2Cl)n1	727369868	VRIZYDDXYYYKEW-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)c1ccc(C)s1	729822924	DYOFUPSFYAEXME-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccnc(Oc2ccccc2)c1	749164092	HWZRLOBIODVIFE-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CCOc1nc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)co1	774039687	WJGXAJUCPGIGNX-UHFFFAOYSA-N	358.288	4.983	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cc(F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]	774559206	FSZUZNCHKOTOJV-QCDXTXTGSA-N	366.270	4.825	50	20	FJGD	
COC(=O)Nc1ccc(COC(=O)CCCC[C@@H]2CCSS2)cc1	778355367	KHSOEWIOBNFHDX-OAHLLOKOSA-N	369.508	4.622	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cc(C(F)F)ccc1Cl	806357048	AYNMFBBZOKMHTO-UHFFFAOYSA-N	370.743	4.643	50	20	FJGD	
CC(=O)Nc1cccc([C@@H](C)NCc2ccc(OCCCCl)cc2)c1	811473391	XNAYTYAAEQONLI-OAHLLOKOSA-N	360.885	4.504	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(Cl)cc1Cl	815850298	GLBSCBQWOGZTCQ-UHFFFAOYSA-N	352.265	4.831	50	20	FJGD	
C[C@@H](N)C1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	841190748	SJXIWSMMQJYYIB-SNVBAGLBSA-N	373.391	4.935	50	20	FJGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCC(F)(F)C1	862516917	BBLVRPYBXFZKRB-MRXNPFEDSA-N	360.404	4.534	50	20	FJGD	
COc1cc2ccccc2cc1C(=O)NNc1cccc(C(F)(F)F)c1	912642850	YIHAUYVEHCLLCS-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)CC	914612280	ZAEBLMYXCWULJY-LNVYBDQBSA-N	373.541	4.647	50	20	FJGD	
CCOc1cccc2cc([C@@H](C)NC(=O)NNc3ccccc3Cl)oc12	916201602	UPXNVWHSBSHQHH-GFCCVEGCSA-N	373.840	4.872	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2c(Cl)nc(OC)n2C)CC1	1116120179	RWDBVRPHHHUDLT-RVDMUPIBSA-N	363.889	4.555	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1nnc2n1CCCCC2	5900499	CMRHFQNTNXQOGB-ZHZULCJRSA-N	370.456	4.648	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(N(C)CCC#N)cc3)c[nH]c2c1	63454689	LJDQZIJVYZZBAS-AQTBWJFISA-N	368.440	4.616	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc(C)c1O	71923705	FWAUDGAAVJONSF-VGOFMYFVSA-N	350.805	4.934	50	20	FJGD	
Fc1cccc2nc(-c3ccccc3Cl)c(CBr)nc12	98177952	HLVTXAGSUGNALS-UHFFFAOYSA-N	351.606	4.984	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2oc3ccccc3c2COC(C)C)c1	126597975	NAHPOWPBAIBGNV-UHFFFAOYSA-N	352.434	4.732	50	20	FJGD	
C[C@H](C#N)Oc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	180353996	UMGDBDNKHFLWHF-ZIAGYGMSSA-N	350.509	4.630	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)c1cc2ccccc2o1	186969194	OTZBPBIQIFUARJ-GIJQJNRQSA-N	371.371	4.607	50	20	FJGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)c1sccc1C	588507162	UFAMUSSIQMVOBI-WQLSENKSSA-N	362.248	4.618	50	20	FJGD	
CCC(CC)(C(=O)NNc1oc(C(C)C)nc1C#N)c1ccc(Cl)cc1	726770865	KHRPTCCQNMBZDO-UHFFFAOYSA-N	374.872	4.524	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccc(F)cc3F)cs2)cc1	729280694	KWASWCBRMDJBPY-UHFFFAOYSA-N	373.428	4.969	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccccc3OCc3cccnc3)[nH]c12	735619869	RMIQRSVCSHHMTC-XDHOZWIPSA-N	366.424	4.910	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)c2nc(C(C)C)cs2)c1	747440034	NLCNCGOIYKGAIX-VGOFMYFVSA-N	350.447	4.729	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccc(C#N)cc3)cs2)cc1	748113257	QLVZJXUWJVFFCI-UHFFFAOYSA-N	362.458	4.562	50	20	FJGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981248	IWPCRGHGYQJGFL-UHFFFAOYSA-N	373.347	4.687	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCC1(c2ccc(F)cc2F)CC1	761621207	FMOSKLLURXBLQE-AWEZNQCLSA-N	371.518	4.827	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1coc(-c2ccccc2Cl)n1	770204102	ZXGUTVFYJIZVPU-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
O=C(CCCCCc1ccc(F)cc1)NNc1cccc2cnccc12	779011418	IFYBIPCGMUFKPA-UHFFFAOYSA-N	351.425	4.620	50	20	FJGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)c2cccc(OC(F)F)c2)C1	780225444	LGSMSIPXSJKXPC-HXUWFJFHSA-N	358.388	4.516	50	20	FJGD	
Cc1cc(Cl)c(C(=O)NNc2ccc(Br)cc2F)cc1C	781349359	ZIQDZOCJEOWXQN-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1C(F)(F)F	794866889	QWAURHLLJNIRMT-GDNBJRDFSA-N	373.378	4.626	50	20	FJGD	
Cc1ccc(CCC(=O)NNc2ccc(Br)cc2Cl)s1	810346317	LFIBWZKUJWVSFI-UHFFFAOYSA-N	373.703	4.548	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1Cl	915989562	ANTWJWDOHWOCES-UVTDQMKNSA-N	367.861	4.994	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(Cl)cc1Cl	916345689	ARMMEXWGZYBXRS-UHFFFAOYSA-N	371.264	4.765	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1OCC	920991021	NEMJJOCZNJCTHJ-LFIBNONCSA-N	360.413	4.755	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1Cl	1322961981	NUMUMXWICIFPAD-WDZFZDKYSA-N	371.227	4.592	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1cccs1	7334644	YXHWYWZVUBYQEG-XNTDXEJSSA-N	355.459	4.858	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC(C)C	43079038	KVQNVQIHTVBLDT-WQRHYEAKSA-N	364.445	4.584	50	20	FJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccncc2)cs1	58202736	ISNQSCMOBSXAQY-QPEQYQDCSA-N	368.805	4.831	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)cc2F)oc2ccc(Cl)cc12	115720828	UQRXBEQJVWZNNK-UHFFFAOYSA-N	354.715	4.569	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1	128875182	PPWILHIDHQSDFK-DTWKUNHWSA-N	372.284	4.656	50	20	FJGD	
C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	187839105	UIECCYAWIUIWIO-NXEZZACHSA-N	372.359	4.682	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	255007402	YXTDAPQJGJTYHR-YBEGLDIGSA-N	351.475	4.963	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC(F)(F)F)cc2)s1	255335168	MSKAUBSBOHNGGE-MDWZMJQESA-N	351.349	4.788	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc(Cl)c1OC	588597465	KYOZYLFVASIXLU-AUWJEWJLSA-N	359.784	4.676	50	20	FJGD	
CCC/C(C)=C\C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477797	OGNKGQBYJOHMQY-CLFYSBASSA-N	365.193	4.657	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1csc(-c2cccs2)n1)c1ccccc1	731931565	KSPYPMMXPPXPAA-HNNXBMFYSA-N	355.488	4.516	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)sc1-c1ccc(F)cc1	733363322	ZSVHAPGQNGWUBH-UHFFFAOYSA-N	362.376	4.898	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OCC)c1	741468001	BZEVXSCVODETNX-GRRFOWRYSA-N	369.383	4.939	50	20	FJGD	
Cc1csc([C@H](NC(=O)CCCC[C@@H]2CCSS2)C2CC2)n1	742091679	YEQKSWXFIRYZDG-UKRRQHHQSA-N	356.582	4.733	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccnc3C)c2C)cc1	744775106	UHXDNEVRMXIIPF-MOSHPQCFSA-N	370.456	4.652	50	20	FJGD	
Cc1nnc(-c2ccc(C(=O)NN(c3ccccc3)c3ccccc3)cc2)o1	746112225	TUSVHXBMEDFTJR-UHFFFAOYSA-N	370.412	4.528	50	20	FJGD	
O=C(CCCc1c[nH]c2ccccc12)NNc1ccc(C(F)(F)F)cc1	747614917	UJJBBLKSFWPGBI-UHFFFAOYSA-N	361.367	4.653	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3ccc(Cl)cc3Cl)c2c1	748012755	RMPUXTDHDYJWPU-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc2nccnc2c1	748669163	CQRWEXZSSHCGFK-UHFFFAOYSA-N	362.458	4.580	50	20	FJGD	
CC(C)c1ccc(SCC(=O)NNc2cccc3cnccc23)cc1	748767869	XIYIYPJRMNASIW-UHFFFAOYSA-N	351.475	4.594	50	20	FJGD	
CCCCn1nc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)c1Cl	774560739	NTPRTUGFOAEPGX-NTEUORMPSA-N	374.828	4.626	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3cnc4ccccc4n3)c(Cl)c12	774791006	MVAMHHKXHKOBMU-UHFFFAOYSA-N	368.849	4.563	50	20	FJGD	
Cc1cc(CCCC(=O)NNc2ncc(Cl)cc2Cl)c(C)s1	775273411	WDZNIYCKXOXAGC-UHFFFAOYSA-N	358.294	4.533	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1cc2ccccc2s1	788327836	LNWAIHAIHPGPGL-LICLKQGHSA-N	355.422	4.877	50	20	FJGD	
Cc1ccc(Br)c(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791719248	GLGNMYZAZMTTEJ-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C\c1ccnc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1	798232024	NOPFZOXMYXVWHI-JXMROGBWSA-N	352.608	4.587	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](c2ccncc2)C1	816607913	JHKFVJNVUGUJNG-IAGOWNOFSA-N	350.553	4.502	50	20	FJGD	
Cc1ccc(NNC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1F	821050529	XSTMUGMQHZNGFZ-UHFFFAOYSA-N	372.444	4.576	50	20	FJGD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841688772	APYRWVMBNUWXOR-GHMZBOCLSA-N	374.375	4.969	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cccc3ccccc23)c1C	915850733	UDGANNGTMSBITI-PDGQHHTCSA-N	372.424	4.751	50	20	FJGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1cc(-c2ccccc2)[nH]n1	915938066	PWOQZAZXBGYORB-UHFFFAOYSA-N	360.461	4.550	50	20	FJGD	
CC[C@H](C)C(C)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	916272766	DBJCRTRTQPUVJN-LBPRGKRZSA-N	354.479	4.547	50	20	FJGD	
C/C(C=NNC(=O)c1sc(-c2ccccc2)nc1C)=C/c1ccccc1	916349575	QPDMJJVXKJWOBN-YGARNHPNSA-N	361.470	4.938	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	920991825	PIHQORNSDYTKRE-XNTDXEJSSA-N	360.800	4.623	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1OC1CCCC1	1116569514	ODUPTPGEFZLJLU-UHFFFAOYSA-N	374.868	4.735	50	20	FJGD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2cccc(F)c2)c1	1253427289	DOKCFRJKJWXKIL-UHFFFAOYSA-N	357.816	4.644	50	20	FJGD	
CC(C)(C)OC(=O)Nc1ccoc1C(=O)NNc1ccc(C(C)(C)C)cc1	1324671425	CQEKSGFSLQZMAV-UHFFFAOYSA-N	373.453	4.681	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc(Cl)c1OC	16441591	KSKDUKGAQJLMHB-NTUHNPAUSA-N	366.804	4.628	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)c1nnc2n1CCCCC2	171157604	XFVFRIOCCBGQMA-XYOKQWHBSA-N	366.774	4.741	50	20	FJGD	
Cc1nc(Cl)sc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	177645555	DZSIWPSZLNAMRW-UHFFFAOYSA-N	371.076	4.822	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1-c1nccs1	181155975	MNQREBJEKRBJIZ-UHFFFAOYSA-N	368.506	4.605	50	20	FJGD	
Cc1[nH]c2ccccc2c1CCNC(=O)CCCC[C@H]1CCSS1	726952433	XAVQXALCUMIAGX-HNNXBMFYSA-N	362.564	4.849	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccccc3)s2)cc1	727263531	CPAKAVIZDUVLAS-SFQUDFHCSA-N	359.454	4.918	50	20	FJGD	
CC(=NNC(=O)Cc1cccnc1)c1ccc(-c2ccccc2Cl)s1	728786506	KBTJLTAPEOJBSY-UHFFFAOYSA-N	369.877	4.546	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)c1nc2cc(F)ccc2s1	730148081	BFDQKLALKUMAOC-DAXSKMNVSA-N	353.209	4.540	50	20	FJGD	
CC(CCc1ccccc1F)=NNC(=O)c1ccc(Cl)cc1Cl	734093152	SHAGXKBMTIFMOC-UHFFFAOYSA-N	353.224	4.871	50	20	FJGD	
C[C@H](CNC(=O)NNc1ccccc1C(F)(F)F)Sc1ccccc1	745902052	XZCJTTAEQHIKOO-GFCCVEGCSA-N	369.412	4.512	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc2c3c([nH]c12)CCCC3	746695247	GGIIHFSZNSQKOP-UHFFFAOYSA-N	357.816	4.596	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OC	747032588	IIDYTLAQJJESBM-WOJGMQOQSA-N	362.429	4.504	50	20	FJGD	
CCn1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c2ccccc21	754153650	MPRSEKBOJFPAHV-UHFFFAOYSA-N	365.330	4.576	50	20	FJGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1F	773149507	HYZRAQOGUTYJEO-TWGQIWQCSA-N	354.690	4.683	50	20	FJGD	
Cc1csc(-c2ccc(NC(=O)NNc3c(F)cccc3F)cc2)n1	775588346	CCZMEDBFPLKZRZ-UHFFFAOYSA-N	360.389	4.545	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1F	780528000	ROJHQVFGLCLOOY-RIYZIHGNSA-N	362.326	4.700	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1	920064887	MXMYQHWYHJMCAO-GHRIWEEISA-N	364.832	4.596	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)n1	920388099	SIZMIZOLQZDLMI-BJMVGYQFSA-N	353.230	4.691	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccccc3)o2)cc1	14150370	XGTIAGCTRUIAPO-QGOAFFKASA-N	357.365	4.523	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)c3nc4ccccc4[nH]3)cs2)c1	72117935	RVHZVFQAUSETFH-ZROIWOOFSA-N	358.426	4.759	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1	127650369	ZXJFPXXWQGFDKU-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)c2nc3ccccc3[nH]2)c1Cl	172213608	ABJUTJOFGOHHMZ-SDNWHVSQSA-N	359.820	4.681	50	20	FJGD	
Cc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1Br	179465515	QNZVLUUTTRHGMJ-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186820821	YCLOATSHRVFIKZ-SECBINFHSA-N	374.375	4.833	50	20	FJGD	
CC[C@@H](C)N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186878961	CTTCXKDFKMCOGY-SECBINFHSA-N	353.378	4.763	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	190379932	JMVVODHSEVPHRT-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CN(C[C@H]1CCOC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192258296	VIADJESSSQCFJJ-SNVBAGLBSA-N	360.348	4.844	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(F)F	207830383	UTJUVISXOAQKGD-GDNBJRDFSA-N	372.371	4.541	50	20	FJGD	
O=C(NN=Cc1cnc(C2CCCC2)s1)c1c(Cl)cccc1Cl	767781833	DQUGUONIXVGLCD-UHFFFAOYSA-N	368.289	4.871	50	20	FJGD	
CC(CCC1CC1)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	768766749	DNVFCSXQZMGKGK-UHFFFAOYSA-N	361.898	4.947	50	20	FJGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	773144799	MPPOUCQCLYNALT-LFIBNONCSA-N	353.780	4.671	50	20	FJGD	
C[C@@H]1C[C@@H](C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCO1	776300483	ZRDCOMHQGHFYDQ-BFVZDQMLSA-N	367.820	4.660	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	780375596	XMUQDQHDPUCEBK-LFIBNONCSA-N	355.315	4.507	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)c1ccsc1	794690101	FWYBUIPPMPUJNI-VGOFMYFVSA-N	373.359	4.742	50	20	FJGD	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NNc1ccccc1	797948777	UTNMUQGAPLWDEB-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1nc2ccccc2nc1Cl	810201611	JSBPONYHGSFTOU-RAXLEYEMSA-N	374.787	4.575	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Cl)c2c(c1)OCCCO2	812765591	NPCBSTCYMLPZGY-UHFFFAOYSA-N	374.868	4.690	50	20	FJGD	
COC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	812861372	SHOWHFZSUOJESK-RBZYPMLTSA-N	369.836	4.763	50	20	FJGD	
O=C(CCc1ccc2ccccc2n1)NNc1c(Cl)cccc1Cl	813485288	MVPWFDIVZOOFPN-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C(=O)NC1CC1	914867511	WZTRIJDUIFYBOD-XFFZJAGNSA-N	363.269	4.907	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	916349031	IUYYHSZQDWNALZ-QZWWFDLISA-N	365.502	4.660	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	916361628	CYMQAEUNOUEIOX-UHFFFAOYSA-N	367.452	4.918	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1-c1ccccc1	1338537974	ILWZPGGVLKXBKI-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)c1	63275948	FZKRUXASBQRQQC-RIYZIHGNSA-N	351.456	4.726	50	20	FJGD	
O=C(NNc1ccccc1Br)c1cccc(Cl)c1Cl	153602173	NVWTYNWCHLAAGX-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=S(=O)(Nc1ccccn1)c1ccc(S(F)(F)(F)(F)F)cc1	181318108	GAOZCEQTKQSFLT-UHFFFAOYSA-N	360.329	4.540	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(-c2ncco2)cc1	182602143	ZPPBMMBIICGFTF-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
O=S(=O)(NC1CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	186182794	VFGUNUMVUMILMA-UHFFFAOYSA-N	351.362	4.565	50	20	FJGD	
CCCc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)sc1C	725900474	WCCROVUEBJGHES-UHFFFAOYSA-N	359.882	4.968	50	20	FJGD	
CCc1ccc([C@@H](C)CC(=O)NNc2ccc(Br)cc2)cc1	738507712	UQIYNVVJMGPTBK-ZDUSSCGKSA-N	361.283	4.648	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1cc(Cl)cc(Cl)c1	748993690	BVBXLIJNGCBUPM-KMKOMSMNSA-N	352.608	4.587	50	20	FJGD	
O=C(NNc1cccnc1Cl)C1(c2ccc(Cl)c(Cl)c2)CCC1	754475367	FZWCOTBDXWVIQW-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cc(C(F)F)ccc1Cl	770073029	KWZLGGPAVALXNB-UHFFFAOYSA-N	365.689	4.844	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cscc1Cl	771871022	JBBXMVLCFOZYHG-UHFFFAOYSA-N	370.861	4.598	50	20	FJGD	
COc1ccccc1C(=O)NN=Cc1c(Cl)cccc1SC(C)C	786040443	OHILCMIPZVIBPQ-UHFFFAOYSA-N	362.882	4.613	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@@H]1CCOC2(CCCCC2)C1	790428733	KNVMKVJVBPJRJR-CQSZACIVSA-N	372.296	4.501	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2cccc3cccnc23)cc1	795021751	WWHAYUUMKKHKPH-UHFFFAOYSA-N	357.388	4.798	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](CC)c2ccc(F)cn2)c1C	808947091	DAMIJRWKZKMMBX-ZZODWALSSA-N	369.440	4.651	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnc(-c2ccccc2)nc1C	812765280	CNQUYZNAUKRVBG-UHFFFAOYSA-N	360.461	4.641	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2n1C(F)F	818259230	DCKWBMLYMMSTJU-WZUFQYTHSA-N	373.746	4.878	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1)c1ccccc1	917516338	SWOHIWBLGYWUDI-PNWWAVQQSA-N	360.457	4.792	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Cl	1253570164	HUJKCGOVTYVQDC-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)Cc2ccccc2F)c1C	1317784983	JOPLOOHTMCTNLH-DEDYPNTBSA-N	367.468	4.610	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccccc1SCc1cccs1	153316645	ICUNQTRPBZDBSC-UHFFFAOYSA-N	358.463	4.936	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccccc1Sc1ccccc1	156568091	PQOGEWXBBPRFFP-UHFFFAOYSA-N	356.397	4.873	50	20	FJGD	
CCCCCC[C@@H](C)CC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	734256252	SICUUWDMPJSEGX-OAHLLOKOSA-N	369.513	4.595	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)o1	734303609	WIVJMICPEDKKSW-QINSGFPZSA-N	352.409	4.750	50	20	FJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1	734980189	GNTLIRIFDDSKOM-XFFZJAGNSA-N	350.212	4.748	50	20	FJGD	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NNc1c(F)cccc1F	735697943	BHAIUGRHUWPKJT-VIFPVBQESA-N	359.203	4.594	50	20	FJGD	
COc1ccc(NNC(=O)c2ccccc2SCc2cccs2)cc1	746885604	BAICTXRXTXQQND-UHFFFAOYSA-N	370.499	4.806	50	20	FJGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747598985	LYNXFTMXKWRDRW-GFCCVEGCSA-N	352.356	4.640	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(CC#N)c2ccccc2)c(C)n1CCC(C)C	747652727	IYSGQECZRZEREX-RCCKNPSSSA-N	374.488	4.615	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)nc3)n2)cc1	748996860	BKQGNGYKRBVDMT-RIYZIHGNSA-N	353.834	4.931	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1	764412741	UQNFOBBRHQQMFV-SSZFMOIBSA-N	374.396	4.764	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3sccc3Br)n2)cc1	764887457	MSLGKLRNFYPBNN-WQLSENKSSA-N	372.247	4.933	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(Cl)c1	773148887	FIEUVERSDDVKGA-IZZDOVSWSA-N	350.176	4.931	50	20	FJGD	
Cc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc2cccnc12	783700247	KUVNRGFBDDSPTQ-WOJGMQOQSA-N	368.845	4.535	50	20	FJGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1F	799466568	IHAAYOAAUSZLJG-CYBMUJFWSA-N	364.342	4.898	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cscc2C(F)(F)F)c1C	811627339	XQKIKNLLZOCJML-WUXMJOGZSA-N	350.365	4.929	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2cc3ccccc3nc2O)C1	844335640	HPCNUQBDJDRTOO-SFHVURJKSA-N	372.585	4.927	50	20	FJGD	
Cc1ccc(F)c(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c1	857830255	VTKGJFYVXGCXQL-VCHYOVAHSA-N	353.441	4.754	50	20	FJGD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CCCC[C@@H]2CCSS2)C1	919701666	HMEASEPEPGIOAN-IXDOHACOSA-N	372.644	4.573	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1cc(Cl)cc(Cl)c1	921138302	DDANAUMCSHRJRC-GIDUJCDVSA-N	368.223	4.969	50	20	FJGD	
CCN1CCC[C@@H]1CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	1117791480	JSUWOVRCGYXJBY-GFCCVEGCSA-N	373.391	4.950	50	20	FJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2ccc(C)c(Cl)c2)cc1	1254793235	IPNQXUCMYLWYMQ-UHFFFAOYSA-N	374.868	4.543	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccccc3C)o2)cc1	1317701671	RVRCHOYXXPZFGJ-QGOAFFKASA-N	371.392	4.832	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3ccccc3OC)o2)c1C	1322242608	CFCKVPGDULYJKO-ATVHPVEESA-N	362.433	4.638	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C)n(Cc2ccco2)c1C	1347539147	VMHVIZGYRSZAQA-UHFFFAOYSA-N	365.477	4.935	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	7164740	OMJHSKPHROQTSL-SAPNQHFASA-N	356.381	4.730	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc3ccccc3o2)cc1Cl	11289977	BFUIKGOBZVSIKA-UKTHLTGXSA-N	352.777	4.640	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c(C#N)c3)n2)cc1	132609629	AWAHRRTWXLCAHH-YVLHZVERSA-N	373.437	4.763	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnn2ccncc12	193819561	HUOMLNJDMGLSIG-UHFFFAOYSA-N	364.299	4.639	50	20	FJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCC1	210958098	QVGALCJNTBKODF-ZHZULCJRSA-N	360.457	4.621	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1	726428518	NHDVPGGESJGZSX-YSKWHIJTSA-N	363.417	4.885	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Cl)cc2cccnc12	728716442	CPCYLZXYIFDRQE-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1	749538113	LKFDDZXTZHDGSU-OAHLLOKOSA-N	371.790	4.637	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1	769226702	XPFCCPIHODRVPD-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1	776266135	OKLMVFPSCKPHET-LFIBNONCSA-N	357.356	4.865	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1Cl	779216226	CZCHMQMUVUMAFY-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)c1nc2ccccc2[nH]1	789129438	ZYZLBGPRUWTQKW-XNTDXEJSSA-N	359.820	4.525	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(Oc2cccnc2)cc1	808898079	JYBQDQKIGHDCBI-UHFFFAOYSA-N	372.787	4.815	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)cc2SCC)cc1	817889868	ONVKAFSOJVVCRE-UHFFFAOYSA-N	350.871	4.608	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2Cl)nn1C1CCCCC1	838348040	UWMHQFOWWXJNPT-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1	857501457	GRXQYQNYJJTTGY-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)cc1	915853003	YNDWTAZGYKADIV-BRYHAGSVSA-N	362.429	4.517	50	20	FJGD	
CCOc1ccccc1OCc1nnc([C@H](Br)C(C)(C)C)o1	1329094455	MXXHECWKYYNBSB-AWEZNQCLSA-N	369.259	4.529	50	20	FJGD	
CC(C)(CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)CC(=O)O	1776294633	OHOASTFLJDUOTA-UHFFFAOYSA-N	351.563	4.661	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)CCCC[C@@H]2CCSS2)C2CC2)s1	174033283	NHYMGLIFGJULHT-HIFRSBDPSA-N	356.582	4.733	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@]2(CCOC2)C1	184421434	ZIFFYRYPCMPMDX-AWEZNQCLSA-N	372.359	4.988	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCSCC1	732932145	KMUFVQMOBUSSIK-CYBMUJFWSA-N	369.861	4.988	50	20	FJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1ccccc1F	734297702	TZINWFYAYBAMHA-UHFFFAOYSA-N	350.846	4.767	50	20	FJGD	
CC[C@@H](C)[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	735035262	NQUWPAMMRWXBCS-SJKOYZFVSA-N	361.829	4.521	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)c1ccc2ccccc2n1	743056235	DNVNFMOTBHZKTL-QGOAFFKASA-N	350.381	4.881	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(CCC(C)C)n2)cc1	744501870	IVFRWOFSPWSEJO-YVLHZVERSA-N	354.475	4.691	50	20	FJGD	
Cc1cc(C=NNC(=O)c2cccc3cccnc23)c(C)n1C1CCCCC1	747355806	BXTZOPKPGPRLAR-UHFFFAOYSA-N	374.488	4.922	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2)c1	747590177	CGTPQKWYVVIBKO-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccccc2F)c(C)c1	748055744	FRFYGGXSLABLLT-UHFFFAOYSA-N	367.449	4.746	50	20	FJGD	
CC[C@@H](C)OCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	752784738	BWJHVDWDPGPMJU-RNCFNFMXSA-N	355.809	4.660	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1[N+](=O)[O-]	752890065	QIUKJDHXZHTTDH-BOPFTXTBSA-N	373.368	4.746	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)c1	753683493	RFKBMBBMLYVWGR-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2c1	763278004	RYPULLHCXYGWHQ-GXDHUFHOSA-N	366.804	4.949	50	20	FJGD	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)NNc2ccccc2)cc1	769992625	DYWRKBQQSGGMMQ-UHFFFAOYSA-N	374.400	4.508	50	20	FJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1ccc(OC(F)F)cc1	776268462	PNJSLJQKPUMKOZ-LFIBNONCSA-N	350.324	4.626	50	20	FJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccc(Br)s1	777872461	VFPVUWULISWKPD-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)c1c(Cl)cccc1Cl	783512820	FOSXFYJTCDPMSI-MRVPVSSYSA-N	353.171	4.832	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cn1	797787122	BXYQJHIIFXNJMZ-JXAWBTAJSA-N	365.440	4.800	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(C)c(-c2ncco2)c1	799405991	LPPFEHDMOBCMTO-UHFFFAOYSA-N	350.422	4.669	50	20	FJGD	
Cc1ccc(NNC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1	912596584	NBNMCOFBZOKTFV-UHFFFAOYSA-N	365.502	4.928	50	20	FJGD	
N#C/C(=C\c1ccccc1OC1CCCC1)C(=O)Nc1ccccc1F	920065034	FDFYZUXDBMHZDR-DTQAZKPQSA-N	350.393	4.693	50	20	FJGD	
COc1ccccc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	921264438	RAVQGHGSDYHGHY-ORVAQUOPSA-N	368.483	4.698	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CC[C@@](C)(C(=O)O)C2)c1	1776500596	KQEZJCMHJMODMD-OXJNMPFZSA-N	363.574	4.804	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)cc1	23739397	AEZNMWNSYVLOLX-CXUHLZMHSA-N	355.821	4.797	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	54802052	NZVNFPXDWQGQKD-LGMDPLHJSA-N	362.429	4.562	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)cc1	211682376	ZCIFKUQBCQDWRE-BRYHAGSVSA-N	364.445	4.763	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(N(C)CCC#N)cc1	255560939	QBWMEXPAKSLFNJ-JXAWBTAJSA-N	368.440	4.616	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Cl)sc1Cl	302109964	TWWUPKXFVBLJCN-UHFFFAOYSA-N	355.168	4.831	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c2c(c1)C[C@H](C)O2	727743674	GLQYOAOKUKUMCE-YRUBURHZSA-N	372.424	4.598	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(Br)cc3F)[nH]c12	735618750	FIUJWTCBBJBZTR-GHXNOFRVSA-N	356.198	4.837	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc2cnccc12	744457499	WXUNAFLSIJZHDO-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1ccc(F)cc1F	753657062	URNFIXUREMBZDL-UHFFFAOYSA-N	352.340	4.550	50	20	FJGD	
Cc1ccnc(Oc2cc(NC(=O)NNc3ccc(F)cc3)ccc2C)c1	770040078	HWNUKUASGZBDRX-UHFFFAOYSA-N	366.396	4.778	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)c1ccc(OC(F)F)cc1	776257811	OYCFOLKRKHHMAR-UKTHLTGXSA-N	365.282	4.679	50	20	FJGD	
CCc1ccc([C@H]2CCCCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)o1	776661609	RBSVDPMHTVJAJT-NMIWIPSGSA-N	364.445	4.598	50	20	FJGD	
CC[C@H](C)Oc1cc(CNC(=O)CCCC[C@@H]2CCSS2)ccn1	777431868	XBCOCJRTJMBMNC-GOEBONIOSA-N	368.568	4.589	50	20	FJGD	
Cc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1OC(F)F	777880187	QORZPFWXEBQACO-UHFFFAOYSA-N	373.186	4.667	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)c1ccc(Cl)s1	783687717	LJTOIKGPEFWOQM-WZUFQYTHSA-N	350.226	4.780	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ccccc1Oc1cccnc1	785346531	UYIKCAIQLIFRLH-CPNJWEJPSA-N	356.381	4.524	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)(C)CCC#N)c(C)n1CCC(C)C	807723138	WFYGVZLPBKBMNQ-MOSHPQCFSA-N	368.525	4.504	50	20	FJGD	
CC(C)OCCONC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	812962342	SIBMVEORPPCOHT-UHFFFAOYSA-N	364.336	4.822	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1	817016085	GCRZBNIBSYKSRH-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CC(C)C[C@@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190198	MDIVRUMUCBSTQN-NSHDSACASA-N	361.380	4.839	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(c2cccc(F)c2)CCCC1	912642802	NXGZKEMNHQHSAU-UHFFFAOYSA-N	366.358	4.800	50	20	FJGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)C12CC3CC(CC(C3)C1)C2	916268983	KGKPNUOJMFXCRK-UHFFFAOYSA-N	362.473	4.868	50	20	FJGD	
CCOc1ccc(NNC(=O)c2csc(-c3ccc(CC)cc3)n2)cc1	1330460757	CLONFAJCWPTBHB-UHFFFAOYSA-N	367.474	4.528	50	20	FJGD	
C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CCC)CCC2)cc1	1791240611	GRXZKOCBBKUXEU-HLRGXRCLSA-N	374.912	4.660	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H](c2ccccc2)O1	109045250	ISCVNXQKXMOZMO-NXHRZFHOSA-N	365.564	4.689	50	20	FJGD	
CC(C)[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	124740039	MHXCHKXCFWQTBP-KRWDZBQOSA-N	366.383	4.511	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1csc2ccccc12	134262968	HYKALZIIZXCSPV-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)c1	727093470	KZYMHQTYXCEUDB-YBFXNURJSA-N	365.477	4.624	50	20	FJGD	
CCCOc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1	727779203	QVMWGOXDOSVJFI-UHFFFAOYSA-N	351.233	4.546	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1F	731488889	UAWWMFUANCOHGQ-JYRVWZFOSA-N	362.376	4.995	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)c1cccc2ccccc12	741465890	XZROBTTZYVVVQG-UHFFFAOYSA-N	360.310	4.762	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(Cl)cc1Cl	743807809	SCQMDYRPOYSCBV-UHFFFAOYSA-N	350.127	4.559	50	20	FJGD	
N#Cc1ccc(NNC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cc1	748116673	BWFKGRFSZHIBEV-BENRWUELSA-N	363.417	4.582	50	20	FJGD	
C[C@@H](CCC(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	750429541	WJIUPXUEPFUWKI-AWEZNQCLSA-N	366.383	4.655	50	20	FJGD	
CC[C@]1(O)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752978117	JYBFKFNUECXDKP-ZDUSSCGKSA-N	360.348	4.723	50	20	FJGD	
CC[C@H](C(=O)NNC(=O)Nc1ccccc1SC(C)C)c1ccccc1	757682644	OINUPEVRIFSFSI-INIZCTEOSA-N	371.506	4.534	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	764106534	AKRQDYMEDXHAND-BOPFTXTBSA-N	370.437	4.826	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2c(F)cccc2s1	767226272	GBJZFOKJRRSLMX-UHFFFAOYSA-N	371.824	4.999	50	20	FJGD	
O=C(NN=Cc1cc(Br)ccc1Cl)c1cccc(Cl)c1	767760042	DLSGBUCMPCRNIE-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(SCc3ccccc3)cc2)c1	771882927	CAOVQVFAQYYFHR-UHFFFAOYSA-N	371.465	4.614	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)c1cccc(F)c1	772172558	UISDAAFHPQHJQX-IUXPMGMMSA-N	365.795	4.514	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1Cl	772174349	AGXOKSZCJBIPSO-JYRVWZFOSA-N	363.795	4.713	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc(-c3ccccc3)s2)cc1	780808555	ICMAQQDCHLNAIL-UHFFFAOYSA-N	351.475	4.865	50	20	FJGD	
O=C(CCc1cnc2ccccc2c1)NNc1cc(Cl)ccc1Cl	792267368	JQKGZTCYRHJJER-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1cccc(C(F)(F)F)c1	806391746	HXXHQHQJSMYCCK-ZDUSSCGKSA-N	373.378	4.576	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1C	810198054	FXNJGWFMUROLED-LCYFTJDESA-N	361.228	4.856	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cscc1C(F)(F)F)c1ccccc1	811627109	TVFPGSIIGLHPIE-ZTFCMROMSA-N	350.365	4.551	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cn1	812245384	RCWPFXYGUJTZCO-LDADJPATSA-N	357.369	4.633	50	20	FJGD	
CC[C@H](NC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1	845008290	OGYVWPLSMFHCMZ-AWEZNQCLSA-N	372.778	4.531	50	20	FJGD	
C[C@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@]1=O	894037166	YIZYVNYOQMZFSU-WIUDPPPLSA-N	363.417	4.687	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2cccs2)c1C	912664017	JNQLOUPDFXVMGH-LDADJPATSA-N	355.507	4.532	50	20	FJGD	
CC[C@H](C)C(=O)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl	915973626	CEFNJSCGCBRXDQ-VIFPVBQESA-N	371.293	4.690	50	20	FJGD	
C[C@@H]1CCCC(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)C1	916358065	ZZYUEPFADTYCNR-LLVKDONJSA-N	361.898	4.947	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C(C)C)nn1CC	1318985137	CUUDDBXILGUYLS-UHFFFAOYSA-N	370.522	4.977	50	20	FJGD	
Cc1nn(CCCl)c(C)c1-c1nnc(Cc2cccc3ccccc23)o1	1331854344	UIVNQUQJCFQWFO-UHFFFAOYSA-N	366.852	4.533	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@H]2CC[C@@](F)(C(=O)O)C2)c1	1776269099	JWUWXUGOZWONIX-KXBFYZLASA-N	367.537	4.506	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2csc(C(=O)O)c2)cc1	1776697448	CQRYNVGAYGKHTF-AAWHYMEISA-N	354.431	4.505	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	6951552	AVGYUUFRSNSHDP-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1	15224320	PNEMQWVSHGONJA-KAMYIIQDSA-N	356.341	4.795	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(-c2csnn2)cc1	57241388	NZWGXCPITOGSQX-AWEZNQCLSA-N	365.549	4.858	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2sccc2C)c(SC)cc1OC	78052793	ZMPWASGDUISJMX-QPEQYQDCSA-N	359.472	4.586	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c1	102598801	OIQFVYDHNZLFCB-PDGQHHTCSA-N	372.453	4.952	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C\c1nnc(C(C)C)o1	182684463	FNVMGAISNWJKBE-FPLPWBNLSA-N	370.478	4.543	50	20	FJGD	
CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)CC(C)C	726120074	JESDTGCELOBAFL-ZROIWOOFSA-N	350.256	4.760	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1	726183571	MPFZGZBIHZFBMP-YVLHZVERSA-N	351.406	4.525	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1F	727653989	DQYUJUBPDITBGQ-NTUHNPAUSA-N	367.811	4.816	50	20	FJGD	
COc1ccc(NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1	729273837	HLMASCXTNHDTEO-CQSZACIVSA-N	358.507	4.665	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@@H]2CCCN2c2ccccc21	732123157	QVBQPPWICAVGMD-HOTGVXAUSA-N	362.564	4.716	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cccc1OCC	732714790	FFDQZPWRMKCULC-OBGWFSINSA-N	370.493	4.572	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1Cl	734752696	JSFGYPAFFNLPMJ-PTNGSMBKSA-N	364.792	4.713	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)ccc1OC	747612911	MKWBTKHZYUHYBM-CXUHLZMHSA-N	355.821	4.675	50	20	FJGD	
O=C1/C(=C\c2cnn(CCCl)c2)CCc2c(Cl)sc(Cl)c21	760264119	IXOVNUSQHLBNPY-UITAMQMPSA-N	361.681	4.703	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3ccc(C(C)(C)C)cc3)c2c1	780802392	LSNXLBBCTJBBHW-UHFFFAOYSA-N	352.434	4.804	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	782370330	TWGKYDPJWQXHSM-LWLPBDFMSA-N	370.330	4.786	50	20	FJGD	
C[C@H]1COc2ccccc2CN1C(=O)CCCC[C@H]1CCSS1	782737659	ZDZMJNLBFQPNOG-HOCLYGCPSA-N	351.537	4.510	50	20	FJGD	
CCCN(N=C(C)c1ccc(-n2ccnc2C)cc1)C(=O)OC(C)(C)C	794998493	OTICGXLQOHCNPO-UHFFFAOYSA-N	356.470	4.552	50	20	FJGD	
COc1ccccc1-n1nccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398251	FPIULUZQHUKILM-SDNWHVSQSA-N	364.474	4.699	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cccc(Cl)c2Cl)cc1	801813975	ZBYHRZOYSNWLLM-NTEUORMPSA-N	374.223	4.635	50	20	FJGD	
Cc1ccc(Cl)c2sc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)nc12	804922972	MCHGNFJXHSJXOB-XYOKQWHBSA-N	369.833	4.509	50	20	FJGD	
ClCCCOc1ccc(CNCc2csc(Br)c2)cc1	811473816	MYXBGAMUJAPGTG-UHFFFAOYSA-N	374.731	4.808	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c2ccccn12	812246225	GQEMDLUOCASPEN-UKTHLTGXSA-N	356.351	4.936	50	20	FJGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1cc(-c2ccncc2)nc2ccccc12	814695898	AAVAPLNAKUAHJX-KRWDZBQOSA-N	370.456	4.593	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@]2(CCNC2)C1	841190866	UFQIIDKOGXKMAP-AWEZNQCLSA-N	371.375	4.561	50	20	FJGD	
N#C[C@H](C(=O)CCCC[C@@H]1CCSS1)c1nc(C2CC2)cs1	842937670	GCSYRPOGJWWXEM-CHWSQXEVSA-N	352.550	4.911	50	20	FJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1	915863911	QZTHSQVNOSZFAT-GDNBJRDFSA-N	367.474	4.551	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CCCC[C@@H]2C(=O)O)c1	1776269232	LVUSAHPAFHMHLN-ZWKOTPCHSA-N	363.574	4.804	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2F)c1C	7164407	RBXBPSVUJGTMSI-RIYZIHGNSA-N	373.225	4.751	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)c1	20620056	LZABLARLKGAWKB-SDNWHVSQSA-N	362.360	4.640	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(F)F	23723726	UTJUVISXOAQKGD-XNTDXEJSSA-N	372.371	4.541	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3ccco3)c2C)cc1	25708654	ZHWACWKEYZKBHK-DEDYPNTBSA-N	373.456	4.561	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnn(C(C)(C)C)c3)n2)cc1	63278984	QWPHTSOLKUONLF-SXGWCWSVSA-N	364.474	4.834	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1	112925344	XOIOJJRPXFOBMW-UHFFFAOYSA-N	373.456	4.562	50	20	FJGD	
Cc1cc(Cl)c(NC(=O)c2c(C)nn(CCCl)c2C)cc1Cl	157743003	XVCNGSWWXUYPQR-UHFFFAOYSA-N	360.672	4.606	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](Nc2ccccc2)C1	163976541	VUZOBMYRTJSJBZ-MSOLQXFVSA-N	364.580	4.804	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2nccn2CC(F)(F)F)cc1	171539409	LVSGLRWLZZLGML-GXDHUFHOSA-N	361.367	4.533	50	20	FJGD	
Cc1ccc(-c2ccsc2C(=O)NNc2cc(F)c(F)c(F)c2)cc1	175492820	XNVUSZZXRIKRLT-UHFFFAOYSA-N	362.376	4.898	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Br)c1)C(=O)c1c[nH]c2ccccc12	207895865	UCCJQNONVLHDID-GHXNOFRVSA-N	369.193	4.859	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccc(F)cc1	213512757	HZWNUOYWOATTGB-PTNGSMBKSA-N	365.795	4.763	50	20	FJGD	
CC1(C)CCc2cc(/C=C(/C#N)c3nc(-c4ccccc4)no3)ccc2O1	731563876	XJPMQWGYCKLISG-AQTBWJFISA-N	357.413	4.904	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1ccccc1OC1CCCC1)c1ccccc1	731931300	DTYWHUOUVVMYGI-HXUWFJFHSA-N	350.462	4.652	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccccc1Oc1ccccc1	734250487	ZAMXACLPUOIDJG-UHFFFAOYSA-N	361.426	4.846	50	20	FJGD	
COc1ncc(COC(=O)CCCC[C@@H]2CCSS2)cc1Cl	751635251	KBHHOEQQYFATNE-GFCCVEGCSA-N	361.916	4.501	50	20	FJGD	
C[C@H](CCN(C)C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978147	KEHZYQWLPABRGR-SNVBAGLBSA-N	361.380	4.806	50	20	FJGD	
N#C/C(=C\c1ccc(Sc2ccccc2)cc1)C(=O)NCc1ccco1	753888202	XKLWQOBCLFKUML-GHRIWEEISA-N	360.438	4.654	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3ccncc23)c1C	755601759	GAPSZNDFXGRTCT-UNOMPAQXSA-N	358.445	4.609	50	20	FJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)N(CC(F)(F)F)C1CC1	761476442	IQZYGYGLMQZVQV-CLTKARDFSA-N	369.195	4.515	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H](CO)CC1CC1	762980228	NSQYKECMCIJGCD-LLVKDONJSA-N	360.348	4.627	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2cc(SC)ncn2)c(OCCC)c1	773177284	UXMITPYANPZQKP-YBEGLDIGSA-N	369.490	4.840	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(CCC(F)(F)F)cc1	775666606	GXADPBNNSTUGJQ-UHFFFAOYSA-N	374.366	4.878	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)c1ccc(OC(F)F)cc1	776259832	QWZHHCPGYBATNO-VLVOFSMPSA-N	370.311	4.542	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccc3ccccc3n2)C1	777462608	ZVDWIJKXAUBASG-IEBWSBKVSA-N	369.509	4.834	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cscc2Br)c1C	794685442	GSTFCJASBVANNI-WUXMJOGZSA-N	361.264	4.673	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)c2O1	794883491	BMFFQNNNPZZTJS-UNOMPAQXSA-N	354.409	4.738	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	794946116	NMIAIZYFDLTOAX-AWNIVKPZSA-N	357.768	4.584	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12	806565386	MIHVWWUKFIZWSG-ZSOIEALJSA-N	355.319	4.732	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)cc1C	809145905	JFLCLMYJALVDLM-MOSHPQCFSA-N	355.441	4.896	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	812246179	FNCOSYCYJINYGH-GDNBJRDFSA-N	372.346	4.575	50	20	FJGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNc1cccc(C(F)(F)F)c1	815850506	PLOMMIGVBCPPKT-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
CSc1ccc(C)c(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	871074616	DLQJTIGEOHPVEH-UHFFFAOYSA-N	357.866	4.675	50	20	FJGD	
CCOc1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	915309032	LSDVTCBFOYZNKS-UHFFFAOYSA-N	361.445	4.829	50	20	FJGD	
CN(Cc1ccc(Cl)c(Cl)c1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	916148002	SFVXZYDWUWHMIQ-IDUWFGFVSA-N	362.216	4.898	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(Cl)cc1	916349249	KVLCOEDDBUJKEX-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
O=C(CCCCc1nc2ccccc2s1)NNc1ccc(Cl)cc1	917505590	PEHDOMSNWRFOJU-UHFFFAOYSA-N	359.882	4.806	50	20	FJGD	
Cc1ccc(C)c(OCc2nnc([C@@H](Br)C(C)(C)C)o2)c1	1325789118	HEOVNVYAXZEGNV-CQSZACIVSA-N	353.260	4.748	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(O)c(C(=O)O)c2)CC1	1776779086	PRISKMGUHQQXGX-GZTJUZNOSA-N	355.434	4.563	50	20	FJGD	
O=C(NNC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccccc1Cl	173218493	WHHZUEKKPKEQPI-UHFFFAOYSA-N	373.627	4.505	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NNc1ccc(C(C)(C)C)cc1	181124535	XGDSJKSFJAEISH-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)c1nc(O)c2c3c(sc2n1)CCCC3	255438669	DZOAITJOPHVVGE-XFFZJAGNSA-N	369.396	4.618	50	20	FJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3ccccc3Cl)s2)c1	728781294	JQDBEOWOKYTPLI-UHFFFAOYSA-N	365.845	4.704	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)ccc1Oc1cccnc1	732804389	IWFZHUOBACFHMB-QGOAFFKASA-N	362.429	4.965	50	20	FJGD	
Cc1cc(NNC(=O)c2sc3cc(C(C)C)ccc3c2Cl)ncn1	734255476	IFVROTVLBIPTOC-UHFFFAOYSA-N	360.870	4.533	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@H](SC)C2)c1C	735264390	LBRZURIVGJFEAB-IYTJAOGTSA-N	373.566	4.602	50	20	FJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1cccc2c1CCCC2	748588579	OJMBGFSNBQBCLZ-KRWDZBQOSA-N	362.395	4.745	50	20	FJGD	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)CCCC[C@H]1CCSS1	755477312	ZGXUKVHXYYLUHC-ZWKOTPCHSA-N	367.580	4.591	50	20	FJGD	
Cc1ccc(SCC(=O)NN=Cc2c(Cl)oc3ccccc23)cc1	761248926	IAEVSVLCXXIKLA-UHFFFAOYSA-N	358.850	4.637	50	20	FJGD	
C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762655030	KRTOHDZNQDMHTC-BXKDBHETSA-N	372.359	4.587	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(F)F)cc2)cc1	764502457	DEDOZQPZFNNADO-GZTJUZNOSA-N	357.356	4.673	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2-c2cc3ccccc3o2)cc1	764892016	QMPRGXTYBXMNKM-WOJGMQOQSA-N	367.408	4.932	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccccc1CCC(F)(F)F	770068154	QZWBIATZOKEFSB-UHFFFAOYSA-N	357.763	4.984	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1	771521785	VLCQQBASJGJTJI-MDWZMJQESA-N	367.202	4.689	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1	775730805	INYUMXNVGHHWSJ-YFMIZXKXSA-N	360.791	4.556	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)c1cccc(C(F)(F)F)c1	780373427	FQXACGBYFQSKHI-FTKZIEAHSA-N	372.302	4.960	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1c(Cl)cccc1Cl	782181319	XSHFYJBDWFNIBJ-VURMDHGXSA-N	353.186	4.753	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1)c1ccccc1	787179303	PRMFVLMGXUWRRG-FNGUVFISSA-N	370.456	4.560	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(-c2ccco2)cc1F	787722066	QRNCEJCUEIQMIU-GDNBJRDFSA-N	350.324	4.770	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc2occc2c1	794878940	UGZFMNPRAOOCIG-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)Nc1c(Cl)cccc1Cl	794931266	KAUQJFAGXFCXDL-SOFGYWHQSA-N	369.154	4.523	50	20	FJGD	
CN(N=CC(Cc1ccccc1)Cc1ccccc1)C(=O)OC(C)(C)C	799109595	GROWYPULZWDCMN-UHFFFAOYSA-N	352.478	4.941	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1C#N	799497637	XLMKEZQPRHTPFG-MKMNVTDBSA-N	374.293	4.515	50	20	FJGD	
N#C/C(=C/c1cnccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1	809153535	WTJVXTYIMXIGGE-YHYXMXQVSA-N	359.241	4.971	50	20	FJGD	
Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cn3)cc2)cc1	812244904	KBETXDZGTIUMTC-XDHOZWIPSA-N	371.396	4.941	50	20	FJGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)CC(Cl)Cl	816628327	QVDZTHAWWVZLRN-UHFFFAOYSA-N	363.697	4.648	50	20	FJGD	
CCC(CC)n1nccc1C(=O)NNc1ccccc1Cc1ccccc1	846465080	YHTGSBVLCPPKCB-UHFFFAOYSA-N	362.477	4.592	50	20	FJGD	
C[C@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@@]1=O	894037167	YIZYVNYOQMZFSU-MQJDWESPSA-N	363.417	4.687	50	20	FJGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cccc2ccccc12	916345671	ABFFKBZWPKQELF-UHFFFAOYSA-N	352.434	4.611	50	20	FJGD	
COc1cccc2cc(CNC(=O)CCCC[C@@H]3CCSS3)oc12	1318249403	CLNVKEPTRSZGCJ-OAHLLOKOSA-N	365.520	4.772	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Br)cc1	33733051	ZIZXGLCCSWXJAU-PTNGSMBKSA-N	355.235	4.557	50	20	FJGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)CCCC[C@H]1CCSS1	152810115	RVVZAUPUMFWHJA-PBHICJAKSA-N	353.553	4.544	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	175626069	ZUAIYURHNFPLFR-SJPCQFCGSA-N	370.518	4.718	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc(-c2ccccn2)ccc1Cl	178868794	AGJWOMWNBOFJLT-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
C[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	187839077	UIECCYAWIUIWIO-UWVGGRQHSA-N	372.359	4.682	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1cccc(Cl)c1Cl	207696869	DFVIFDPOIBBOJE-POHAHGRESA-N	353.155	4.817	50	20	FJGD	
Cc1nc(C)c([C@H](C)N(C)C(=O)CCCC[C@H]2CCSS2)s1	730248038	XVWWJLBPMRQLDM-JSGCOSHPSA-N	358.598	4.993	50	20	FJGD	
CC[C@H](C)Oc1cc(C=NNC(=O)[C@@H](CC)c2ccccc2)ccc1OC	731933194	VNUNINFDRLRCPF-LPHOPBHVSA-N	368.477	4.516	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2)c1Cl	741470889	WZKGBYMKLVCCII-MPMPPSQCSA-N	355.869	4.806	50	20	FJGD	
O=C(NNC(=O)c1cccc2ccccc12)c1sccc1-c1ccccc1	741575710	DLJAKKBDYWBZGV-UHFFFAOYSA-N	372.449	4.643	50	20	FJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1ccccc1	742005141	KRXNFMZJIZPOFE-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnc(-c2ccccc2)s1	748010105	XAFGNPNRQYFNDH-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(Br)cs1	752810776	FWQOJQBCKGPIFP-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
O=C(NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1	761723582	DNNWKBKKEMLVIR-UHFFFAOYSA-N	361.367	4.544	50	20	FJGD	
Clc1cc(-c2nc3cnccc3s2)ccc1OCCBr	763100779	IYLXPGOMEUDHIQ-UHFFFAOYSA-N	369.671	4.785	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2ccc3ccc(Br)cc3n2)n1	771522116	XNTOLRIHSNSGSH-SDQBBNPISA-N	356.248	4.826	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F	773150842	PMGWFLRNBQWZCB-IJXAQXDUSA-N	356.740	4.733	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)/C(=C/c1ccc(F)cc1)c1cccs1	778448656	HVAOMCPMNBWHLI-XNTDXEJSSA-N	373.840	4.620	50	20	FJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CC=C(C#N)CC3)c2c1	780685593	QCDNZDJKOJUPRE-UHFFFAOYSA-N	353.425	4.506	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)C1CCCC1	781555505	JZVKIKSBMYCSIK-WQRHYEAKSA-N	367.880	4.868	50	20	FJGD	
CCc1cc(O)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	791156464	DJVRPGNPQCWLSD-GRSHGNNSSA-N	365.477	4.575	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2ccsc2)c(C(F)(F)F)c1	794875991	ZLCSWBSTTRDBAC-QPEQYQDCSA-N	350.365	4.623	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)c2O1	794883503	BMFFQNNNPZZTJS-XDHOZWIPSA-N	354.409	4.738	50	20	FJGD	
COc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)ccc1OC(F)F	812246497	MUNPIIVKXGNQFQ-WDZFZDKYSA-N	370.277	4.775	50	20	FJGD	
CC(C)c1ccc(NNC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1	837059032	YILVIZUPIFGPNX-AWEZNQCLSA-N	368.506	4.624	50	20	FJGD	
C[C@]1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCNC1	841179162	KKYUSDCJQBCPHG-AWEZNQCLSA-N	373.391	4.855	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cnc3ccccc32)cc1)C(=O)c1ccsc1	915989761	MYTRKQTWDVICHK-BOPFTXTBSA-N	355.422	4.877	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/C=C\c3ccccc3[N+](=O)[O-])c[nH]c2c1	920399264	RFRKMOINPMZGPO-LRPNAGJPSA-N	357.369	4.731	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C1CC1	1327412669	NEPCLXMRHCKRPA-UHFFFAOYSA-N	371.790	4.869	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(F)cc1F	176397510	XOGVJUXDLKFYQH-UHFFFAOYSA-N	360.429	4.844	50	20	FJGD	
O=c1[nH]c(CSCCCCl)nc2sc(-c3ccccc3)cc12	180967858	CRLOWXFWXGHFBI-UHFFFAOYSA-N	350.896	4.514	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccccc1OC(F)(F)F	190193206	YEANWBCIDWKZDR-UHFFFAOYSA-N	364.323	4.651	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccs2)n1)C(=O)c1cc(F)cc(F)c1	194539621	LZDJRDSASOCSOW-IZZDOVSWSA-N	358.394	4.940	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	210005916	JGTXPVKVHCHHKG-POHAHGRESA-N	353.155	4.817	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2c(Br)sc(C)c2C)c1	282092133	YOBDNEDYCQDFES-UHFFFAOYSA-N	353.285	4.501	50	20	FJGD	
CCN(CC)c1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	727779285	VSBCWHXOGSLQDP-UHFFFAOYSA-N	364.276	4.604	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(Cl)nc1	743819571	WEHPHQZNFCRTAS-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1ccc(Cl)cc1Cl	748994240	KTMOQBDRJLEYRX-YHYXMXQVSA-N	352.608	4.587	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc2ccccc2c2cccnc12	751171393	ZVONDVXHFHWXLZ-UHFFFAOYSA-N	374.352	4.524	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc2ccc(Cl)cc2n1	752265477	OTJRIUYRBBKTRT-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2csc(Cl)c2Cl)cc1	761384364	HLLMHFDUDMYCGW-SDQBBNPISA-N	351.258	4.587	50	20	FJGD	
COc1ccccc1[C@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	767983209	LHJSWBGCYZFPFY-GDBMZVCRSA-N	368.315	4.558	50	20	FJGD	
COc1cc(/C(C#N)=C\c2coc(-c3ccc(C)cc3)n2)ccc1[N+](=O)[O-]	774562175	RXWIZKIENIEXJA-SXGWCWSVSA-N	361.357	4.631	50	20	FJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1cc(Cl)ccn1	778446707	CZRQSJAEMSOCQA-SOFGYWHQSA-N	373.840	4.759	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)c1ccc(Br)s1	782324746	GGQHBEMYLISVEP-UITAMQMPSA-N	365.277	4.634	50	20	FJGD	
COc1cccc(Cl)c1CNC(=O)CCCC[C@@H]1CCSS1	791009212	BKQJPWANVIBLNN-GFCCVEGCSA-N	359.944	4.679	50	20	FJGD	
C=C(CBr)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1	791474117	XHYRARRHMBLXFI-UHFFFAOYSA-N	369.690	4.612	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1SCCc2sccc21	791733284	QOGKBBIPBBDOHO-CYBMUJFWSA-N	359.303	4.529	50	20	FJGD	
CCOc1nc(C)ccc1C(=O)Nc1c(CC)cc(SC#N)cc1CC	792526069	XGVAVSWIFRMXGC-UHFFFAOYSA-N	369.490	4.739	50	20	FJGD	
CSc1nc(C2CC2)nc(C)c1C(=O)NNc1c(C)cccc1C(C)C	794930279	RSKUAHDBYMULCQ-UHFFFAOYSA-N	370.522	4.573	50	20	FJGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(\C#N)C(=O)Nc1nccs1	799888940	KATPDBBWVNBBHR-ZXXZFBTCSA-N	363.364	4.654	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2SC)cc1	800578393	PCJULIFXSDNXGO-WIZMWCRPSA-N	366.486	4.592	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC	809145575	AIHZXYRJIOTTQO-LZYBPNLTSA-N	355.821	4.764	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2cccs2)C2CC2)c1C	810177847	JVXKGZTZWBRGQW-VOMPUTFMSA-N	367.518	4.751	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCCC2=O	810464493	CZCFORPIYROGRI-UHFFFAOYSA-N	363.244	4.659	50	20	FJGD	
Cc1ccc([C@H](C)NCc2ccc(OCCCCl)cc2)cc1[N+](=O)[O-]	811482746	QOUOCHRELITHAU-HNNXBMFYSA-N	362.857	4.762	50	20	FJGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)cc1Br	856233408	NHBQTLMPHFJJEC-SSDOTTSWSA-N	373.600	4.524	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3csc(-c4ccccn4)n3)n2)cc1	915986123	WEVLIXLKRKPSBD-GDNBJRDFSA-N	371.425	4.628	50	20	FJGD	
COc1cc(C)ccc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	917799013	HXGSIZBKBGWXJR-ODLFYWEKSA-N	365.477	4.624	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)c1nc(-c2ccccc2)no1	920063649	CJFGANULWVGKPW-ZSOIEALJSA-N	362.439	4.986	50	20	FJGD	
C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CCC)cc2)CCC1	1786447204	XRCYSKHXVBDRED-HLRGXRCLSA-N	374.912	4.660	50	20	FJGD	
COc1cc(OC)cc(Oc2ccc(/C=C(/C#N)c3ccccn3)cc2)c1	65222270	CQVZSKUDMOMBPR-BOPFTXTBSA-N	358.397	4.955	50	20	FJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	124546051	WYNIOJXBADPTPX-UHFFFAOYSA-N	366.383	4.682	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(OC(F)(F)F)cc1	161116086	CXCAWSWSFSAXAE-UHFFFAOYSA-N	364.323	4.651	50	20	FJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)c1nnc2n1CCCCC2	172127744	BLTCFVCFUNPQTQ-ACCUITESSA-N	366.371	4.607	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C2CC2)nc2ccccc12	181298109	IIBWTMMHGRIJMD-UHFFFAOYSA-N	368.440	4.726	50	20	FJGD	
O=S(=O)(OCC(F)(F)F)c1ccc(S(F)(F)(F)(F)F)cc1	181605207	QIJLCIGXLBSUKD-UHFFFAOYSA-N	366.251	4.612	50	20	FJGD	
CC[C@@H]1COCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181774475	OPRDADHBUAMWGK-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Cl)c1O	211477995	MNMKMGJIQNWTKE-NVNXTCNLSA-N	370.836	4.607	50	20	FJGD	
C[C@@H]1CCCC1=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	729140224	BOCAQCXFOJQAIG-CQSZACIVSA-N	356.853	4.825	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(Br)c1	748008727	VGTNHTDRFBTTQM-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1[nH]c2ccc(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc2c1C	754144129	UOUHERKNDCLUAE-UHFFFAOYSA-N	365.330	4.700	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	755405429	ZPDIJRBZUKGZCV-KMKOMSMNSA-N	353.155	4.817	50	20	FJGD	
CC[C@H]1CCCC1=NNc1cccc(C(=O)NN=C2CCC[C@H]2CC)c1	758363881	YGIXCFMWORYVMD-JKSUJKDBSA-N	354.498	4.961	50	20	FJGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)s1	758414281	BIHXYBZUSBDYKK-IZZDOVSWSA-N	365.380	4.831	50	20	FJGD	
CCN1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1C	762977989	IIVXSXTUNPWSNI-NSHDSACASA-N	373.391	4.902	50	20	FJGD	
CCCCCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973833	ISKDWCJHZWRVEO-UHFFFAOYSA-N	353.378	4.813	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(F)c1)c1ccccc1	787145336	PUWLHDUFVNRDAB-OBHPCNEJSA-N	374.362	4.602	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccsc1)c1ccc(Cl)cc1Cl	787148579	VURRGCGIUKDQLH-HAAVITCDSA-N	351.258	4.839	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1	793074062	VDVUFTCMTWEEOB-LHBRDVBXSA-N	367.404	4.761	50	20	FJGD	
N#C/C(=C\c1cscc1Br)C(=O)c1cccc(Cl)c1	794685161	DLFNBMVDEUXPFS-ONNFQVAWSA-N	352.640	4.954	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	794873674	ABTKGRBMCADEJF-GDNBJRDFSA-N	365.795	4.763	50	20	FJGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1ccc(C(F)(F)F)cc1	799099919	IIALFPRMOOHTDK-SNVBAGLBSA-N	365.380	4.562	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C#N)c(Cl)c2)sc2cc(F)ccc12	807240371	MDBZEGMVSJSUST-UHFFFAOYSA-N	359.813	4.631	50	20	FJGD	
O=C(NC[C@@H](O)C1CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	836511469	GCMCWRDDWWKDKD-GFCCVEGCSA-N	360.348	4.627	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)cc1	854882460	IJOAZFVOOCEDRE-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
O=C(CCCSc1ccc(Cl)cc1)NNc1ccc(F)cc1F	876989559	YAZNJKLKVMCGDB-UHFFFAOYSA-N	356.825	4.634	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1OCC(C)C	915990665	TYRDSFIIGLNCLU-CXUHLZMHSA-N	355.459	4.890	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c1C	917619479	LDULSTJQHWHCDW-NBVRZTHBSA-N	365.477	4.888	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccnc1N1CCCCC1	918686643	WABWZZXZLLXZAG-HNNXBMFYSA-N	365.568	4.725	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(OC[C@@H]3CCCO3)cc2)c1	918713321	IHRDUFDYMQOBDZ-WLJFKGHSSA-N	361.441	4.651	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	6210162	YGTOKUXMHXIVSN-CUPWRZTQSA-N	357.369	4.731	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1N1CCCC1	22741540	BIHSCLXMXFSGJG-HNNXBMFYSA-N	350.553	4.939	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(-c2nc3ccccc3s2)s1	35553657	GVNNIHKCKLUTPN-UHFFFAOYSA-N	351.456	4.782	50	20	FJGD	
Cn1ccnc1-c1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	115717913	LUJUIDNOYGTZKN-MRXNPFEDSA-N	361.536	4.740	50	20	FJGD	
COc1ccc(OC)c(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)c1	125217440	AYJLRTKXHFEZLC-WZUFQYTHSA-N	368.742	4.835	50	20	FJGD	
CCCn1nc(C)c(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	160713232	NKCGXIGHBAGYJO-ZDLGFXPLSA-N	373.485	4.969	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)c1c[nH]c2ccccc12	173015606	UYVOWSJYEKFDDU-NTEUORMPSA-N	352.340	4.602	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(CC#N)c2ccccc2)c(C)n1CCC(C)C	215740510	IYSGQECZRZEREX-QNGOZBTKSA-N	374.488	4.615	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2OC)c1C	588596145	APMGLWKFNBRMPX-UYRXBGFRSA-N	365.477	4.768	50	20	FJGD	
O=C(CCCCCc1cccs1)NNc1ccc(Cl)cc1[N+](=O)[O-]	731454305	PZBBEBAEWXBHAX-UHFFFAOYSA-N	367.858	4.556	50	20	FJGD	
CCCCCC[C@H](CC)C(=O)NNc1nc(-c2ccccn2)nc(C)c1C	740927927	WRJNXWHTLOZMGO-KRWDZBQOSA-N	369.513	4.595	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1	748359240	DLFAXXALIHFFPL-UHFFFAOYSA-N	367.836	4.901	50	20	FJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1	748701668	TUXZDKKYFTTZAA-CYBMUJFWSA-N	366.383	4.898	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1csc(Cl)c1Cl)c1ccccc1	761390054	BETPKHWPUWQBPX-QVIVLVACSA-N	351.258	4.839	50	20	FJGD	
N#CCCCn1cc(C(=O)NNc2cccc3c2CCCC3)c2ccccc21	768091397	VYILERMXHAKFHU-UHFFFAOYSA-N	372.472	4.581	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1OC(F)(F)F)c1ccc(Cl)cc1	779207212	NACCDEFKRMMELX-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccn1	780806112	XDPBMPLPZLVTCV-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)C1CCCC1	781554220	IRQVTOIBWGFJOW-RGEXLXHISA-N	368.440	4.601	50	20	FJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)C1CCCC1	781555659	NBKYQHFUFXRGOU-MHWRWJLKSA-N	371.843	4.699	50	20	FJGD	
O=C(COCC(F)(F)F)Nc1ccc(S(F)(F)(F)(F)F)cc1	782117647	MWNRNIOFPHLASJ-UHFFFAOYSA-N	359.238	4.861	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2c(-c3cccc(Cl)c3)noc2C)c1	795174998	ZCABQOAOPQLBRN-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2cccc(Cl)n2)c1	817011207	JZZXQZDLFUPKGW-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
C=C(CC)CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	832634534	ODIZKVIDQRRZLR-UHFFFAOYSA-N	351.362	4.589	50	20	FJGD	
COc1ccc(Br)cc1/C=C(\C#N)c1nc(C2CC2)cs1	843266324	UNIUCKLBTCVTBB-WUXMJOGZSA-N	361.264	4.856	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(SC)n1	843525479	XSKOPHFGYGVUCH-UHFFFAOYSA-N	357.504	4.754	50	20	FJGD	
CC(C)c1cnc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)[nH]1	863365410	FFGZRRQPLCHAHD-NVGQTZGUSA-N	370.503	4.536	50	20	FJGD	
O=C(Nc1cccc2cccnc12)NN(Cc1ccccc1)c1ccccc1	915316998	ZOPOQVCNLCNVSE-UHFFFAOYSA-N	368.440	4.978	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)n1	915863713	JXIVJVPJHOYFBG-YFHOEESVSA-N	363.845	4.779	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	916663201	DDWWNAQDCLBBBX-OQLLNIDSSA-N	370.836	4.520	50	20	FJGD	
NCC[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	926087280	HOSRHPFCASAKHC-JTQLQIEISA-N	359.364	4.547	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	6411015	PLGDQVPGHWHESO-SDNWHVSQSA-N	360.335	4.650	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c1C	7164297	PXIPAWRJPJYTJX-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
COCCOc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1	107099277	PSAORIYPKHPCHI-AQTBWJFISA-N	362.454	4.899	50	20	FJGD	
CSc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)o1	112227461	CFOZDKAFXKZEMX-UHFFFAOYSA-N	351.642	4.719	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1sccc1-c1ccccc1	132618355	XSBPPUMLNKTFIE-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1nccc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)n1	181780567	NUIBIOGZCPWJDN-UHFFFAOYSA-N	368.331	4.764	50	20	FJGD	
CCO[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	195654172	ZCYMLPYJTOGHGK-OAHLLOKOSA-N	373.667	4.868	50	20	FJGD	
COc1sc(/C=C(/C#N)c2cnc3ccccc3n2)cc1Br	588580034	AABFMDDRSJSYGI-POHAHGRESA-N	372.247	4.527	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1OCC(C)C	729820425	QRHWYCDFADZZMG-CXUHLZMHSA-N	355.459	4.890	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)cc1Cl	733780823	VWNQCDFOUZDCMJ-RNJQCAHHSA-N	356.809	4.611	50	20	FJGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1nccc2sccc12	734248688	SNHUIDPLZPTCNE-UHFFFAOYSA-N	373.437	4.882	50	20	FJGD	
O=C(NNc1c(F)cccc1F)N[C@@H](c1ccccc1)c1ccc(F)cc1	735757927	GFRNRUXWBWEDET-SFHVURJKSA-N	371.362	4.520	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc3cc(Br)ccc3o2)c(C)c1	743763873	VRNQSXMYYGSKJG-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
CCOc1ccc2cc(C(=O)NNc3cc(Cl)ccc3Cl)[nH]c2c1	752810709	SXZNXOVJSRFAAZ-UHFFFAOYSA-N	364.232	4.630	50	20	FJGD	
C[C@@](O)(CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	752977775	WSHIORNQBGFSDG-CYBMUJFWSA-N	360.348	4.627	50	20	FJGD	
CC(C)C[C@@H](O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752984043	GVFHOUYMRGFDFR-LLVKDONJSA-N	362.364	4.873	50	20	FJGD	
CC(C)(C)OCc1ccc(NC(=O)NNc2nc3ccccc3s2)cc1	770061210	GYIIPMCIUMNMOW-UHFFFAOYSA-N	370.478	4.760	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(Cl)c(Br)c3)nc12	776189601	IHZIXSCXTZUFJA-WDZFZDKYSA-N	373.641	4.746	50	20	FJGD	
C[C@@H](CNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CC1	777909717	DDJCBOFCDDAVFT-VIFPVBQESA-N	365.389	4.668	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1ccc(C(C)(C)C)cc1	780805161	SXGRRPUVYYVPRM-UHFFFAOYSA-N	361.283	4.812	50	20	FJGD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	782974410	SVJAOAOZGYHEES-SNVBAGLBSA-N	365.389	4.765	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1	797328274	MVMFWEUNVMMDAJ-RVDMUPIBSA-N	357.454	4.553	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H](F)c1ccc(C(F)(F)F)cc1	801930410	PBMMRVAKSUFNCO-CYBMUJFWSA-N	364.701	4.652	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)c1ccc([N+](=O)[O-])cn1	812244743	MTZKKIBYPPJPCE-FLIBITNWSA-N	353.284	4.592	50	20	FJGD	
COc1ccc(/C=C(\C)C(=O)NNc2c(C)cccc2C(C)C)cc1F	812766924	ODDFCFLMTCMPSZ-RVDMUPIBSA-N	356.441	4.813	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c(Br)c1)c1ccccn1	840713644	TZOKSCWXQRAJFJ-FOWTUZBSSA-N	368.278	4.899	50	20	FJGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccccc2Oc2ccccc2)CCO1	846462219	SYZJTYFRZLQGIB-DLBZAZTESA-N	354.450	4.517	50	20	FJGD	
CC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	860829248	ZAVFHUNLCRCJBP-CYBMUJFWSA-N	374.375	4.833	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)C2CC2)c(C)n1C1CCCCC1	875158677	YUOWFCQRQHWZFK-SMEDBKPVSA-N	353.510	4.774	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(F)(F)F)c(C)n1C1CCCCC1	912506866	GSSDRTHUWSJWSC-DHDCSXOGSA-N	354.372	4.623	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(OC)cc2)c1C	920171466	XDCFKIPEVXSAQD-UOBPLZBXSA-N	366.461	4.735	50	20	FJGD	
C[C@@]1(CO)CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	1320228356	RPELYTICEYBJOB-CQSZACIVSA-N	374.375	4.970	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl	98008584	QKEAZICHOAODTD-YHYXMXQVSA-N	353.155	4.817	50	20	FJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2cc(C)ccc2C)cc1	127548013	USUMFFMOOWSTHA-UHFFFAOYSA-N	365.502	4.730	50	20	FJGD	
Cc1nc(C)c(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)o1	175621440	ZCBJUVIYHYVYPO-ZDUSSCGKSA-N	364.776	4.763	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccsc1	255084363	SZXIKTRGHATOND-ZROIWOOFSA-N	350.355	4.706	50	20	FJGD	
C[C@@H]1COCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	372847094	MKHRXHHDPNQEAC-JTQLQIEISA-N	360.348	4.844	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1Br	727654779	KSYOLRVAPPJVET-OQLLNIDSSA-N	370.246	4.864	50	20	FJGD	
COCCOc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730464701	GKCPCKIULQYBTG-UVTDQMKNSA-N	354.406	4.525	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)N(C)c3ccccc3)cs2)cc1	732716149	IAJVJNWKXCFVJP-ATVHPVEESA-N	359.454	4.689	50	20	FJGD	
CS[C@H]1CCC[C@H](NC(=O)NN(Cc2ccccc2)c2ccccc2)C1	735383493	MJKWXQOCXOKZGM-ICSRJNTNSA-N	369.534	4.582	50	20	FJGD	
Cc1cccc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)n1	736756691	FKRCKYYYJAUFFS-UDWIEESQSA-N	365.477	4.505	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1	746680413	AATLZMGQQBGNSI-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNc1c(F)cccc1F	748175955	WGFLLUXJQHJPCF-UHFFFAOYSA-N	368.383	4.544	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(-c2ccccc2F)o1	748586150	YHCHSHVBUNUENL-UHFFFAOYSA-N	350.393	4.721	50	20	FJGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(Cl)c(F)c1	749540780	WFOSUSLVIIHYPH-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)Nc1nc(-c2ccncc2)cs1	750818026	MSEZZWZFTKNRTD-GZTJUZNOSA-N	372.453	4.628	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2SCc2ccco2)c1	755244215	FNLDCRNZTRWMMK-UHFFFAOYSA-N	352.459	4.946	50	20	FJGD	
CC(CC1CCC1)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	758357933	CWWVFHFXVMLKCT-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(C)nc2C2CCCCC2)c1C	783682562	BMPZFIAJUQLWCL-LDADJPATSA-N	362.477	4.630	50	20	FJGD	
COCCOc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cc1	788330800	INPYKSPWGUCVNP-SFQUDFHCSA-N	363.438	4.716	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H](Br)C(C)(C)C	794093114	QEUAFXCUKPILGA-INIZCTEOSA-N	361.283	4.805	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	799613095	HOSJIZLHNBQLDV-QFIPXVFZSA-N	374.488	4.677	50	20	FJGD	
O=C(NNc1ncccc1F)c1cc(Cl)ccc1SC1CCCC1	804216676	XPDDHPPUZBAQJZ-UHFFFAOYSA-N	365.861	4.666	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	808759919	YEIIPQNTGHRNIE-DLBZAZTESA-N	367.631	4.509	50	20	FJGD	
CC[C@@H](CS(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)OC	817356814	VEWWPPLMQVPHKV-JTQLQIEISA-N	369.377	4.511	50	20	FJGD	
CC(C)c1ccccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	830810074	GFYKFKMVMBPYDC-UHFFFAOYSA-N	352.356	4.508	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc(CCc2ccccc2)o1	840201186	LQOGXECYGLLOLT-UHFFFAOYSA-N	364.587	4.969	50	20	FJGD	
C[C@H](O)CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	847166326	JNXAIKJQPQCGMC-VIFPVBQESA-N	360.348	4.721	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc3ncccc3c2)n1	916128485	GPODFLFTKITXAG-XNTDXEJSSA-N	362.458	4.534	50	20	FJGD	
C[C@H](NC(=O)NNc1ccccc1Cl)c1cccc(C(F)(F)F)c1	918183925	XWGFXVLMDASHEC-JTQLQIEISA-N	357.763	4.746	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F	918714528	YYTMNWDWCCPZIN-WDZFZDKYSA-N	372.209	4.963	50	20	FJGD	
Cc1ccc(NNC(=O)c2sc3ccc(C#N)cc3c2C)cc1Cl	1347781678	HVCCMCLBKUFGMS-UHFFFAOYSA-N	355.850	4.800	50	20	FJGD	
CC(C)OCCS(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	185664577	GKEHISVIRLEJJO-UHFFFAOYSA-N	369.377	4.511	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc4c3OCO4)n2)cc1	194577848	NXTJNYHBSXIGKZ-OQLLNIDSSA-N	362.410	4.612	50	20	FJGD	
COc1cc(C(=O)O)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C	217581574	ZREAUMPQOSIHOV-UHFFFAOYSA-N	369.490	4.856	50	20	FJGD	
Cc1cccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C	731156456	FRGBOYXLCVNTBV-NVNXTCNLSA-N	366.269	4.949	50	20	FJGD	
Cc1nc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)sc1C	741854418	LDVFAHIRKWPLFR-SPSOFYIISA-N	373.528	4.763	50	20	FJGD	
Cc1ccc(SCCC(=O)NNc2ccc(OC(F)F)cc2)cc1C	748661738	ZDBIYZBAVRKYIR-UHFFFAOYSA-N	366.433	4.530	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3cc(Cl)ccc3Cl)c2c1	752809435	BRGAYJZMIMBKGD-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(C)cc(C)c2)cnn1-c1cccc(C)c1	768093706	OLBORYWBDZZHHD-UHFFFAOYSA-N	362.477	4.507	50	20	FJGD	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)C2CCOCC2)cc1	794957073	CBXORGRDUCOYQG-CAPFRKAQSA-N	355.478	4.938	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ncccc1Oc1ccccc1	799705250	GHXCEFUGHBTREC-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	859672906	MYHKXQCVEUBGFM-ZDUSSCGKSA-N	373.391	4.806	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2c(F)cccc2F)c1C	914485392	TXIGIDKCXNZFSO-FMNVXAMXSA-N	371.431	4.578	50	20	FJGD	
CN(Cc1ccc(C(F)(F)F)cc1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	916147376	RHNHPDUYKFRXGJ-MFOYZWKCSA-N	361.323	4.610	50	20	FJGD	
COc1cc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)ccc1OC(C)C	916349430	YGXRENXKRYYKKF-CVEARBPZSA-N	358.482	4.559	50	20	FJGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(F)cc1	917515981	FTWJJZPPKHSLLF-FOWTUZBSSA-N	350.393	4.693	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)c1	918734938	CHYUKPFTHAMAHH-AQTBWJFISA-N	371.396	4.792	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	1079094	MFYRQCYPOSWYDB-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F	23216122	KZJKDYYPMJVALY-SDNWHVSQSA-N	360.335	4.650	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(-c3cccnc3)c2)cc1	127717256	QDCWJQTUALQFNS-XSFVSMFZSA-N	369.424	4.693	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	155011637	IOUSEDXCUNIXLF-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ccccc3Cl)c12	158333613	HHTYDZBXOVRVGZ-UHFFFAOYSA-N	370.840	4.634	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C\c1scnc1C	588517161	HEYLOAXGMYLWHL-SREVYHEPSA-N	357.504	4.801	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1	726118174	JSMIGKPKPKTMDO-PTNGSMBKSA-N	361.367	4.803	50	20	FJGD	
Cc1ccc(OCCNC(=O)CCCC[C@@H]2CCSS2)c(C)c1	726610148	HYZCIKOKVHJLQO-MRXNPFEDSA-N	353.553	4.513	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2cc3ccccc3o2)s1	729820728	XGRKUQGSJVWDMN-DHDCSXOGSA-N	373.437	4.993	50	20	FJGD	
N#C/C(=C\c1cccc2c1OCCCO2)c1nc2cc(F)ccc2s1	730149333	VPWFJNVMKACVGF-UKTHLTGXSA-N	352.390	4.661	50	20	FJGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1	732574979	JSCPYBZLYDUEKA-DHIUTWEWSA-N	372.468	4.821	50	20	FJGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)o1	749450717	BPGXZLKXEQRWQS-NTEUORMPSA-N	350.399	4.562	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc(Oc3ccccc3)c2)cc1Cl	753306261	KSSRSUVEYSFTAB-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C#N)C(C)(C)C)c(C)n1C1CCCCC1	755374199	CKRIQTQXSFPHDP-VOMPUTFMSA-N	366.509	4.572	50	20	FJGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	775639455	RCNSFEXBFDDMQF-PTNGSMBKSA-N	357.356	4.865	50	20	FJGD	
CCCN(CC)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782980906	ZVPKEYGCFFWILT-UHFFFAOYSA-N	353.378	4.765	50	20	FJGD	
O=C(NN=Cc1c(F)cccc1Br)c1ccc2ccccc2c1	794495221	CLTMAOWDGZYOOK-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cn1	797785917	YSGQHEHCXLOFHE-LGMDPLHJSA-N	372.403	4.534	50	20	FJGD	
C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	799271999	UUIYDWUTLUQAAK-SNVBAGLBSA-N	372.359	4.753	50	20	FJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)C(=O)Nc1ccccc1	811685811	CVWAYYGNXAGOEE-MHMBTURYSA-N	354.356	4.780	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	814187703	QYAGDFRBZNDZKI-SRZZDPSZSA-N	360.457	4.564	50	20	FJGD	
COc1cc(Cl)cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1	815904203	XWFOQBVJAPGEFO-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(C3CCC3)cc2)c(C(F)(F)F)c1	816702577	SVTYKKWTGDLNBR-UHFFFAOYSA-N	364.367	4.738	50	20	FJGD	
NC[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCCC1	841191279	XNBYBOGJCMHQFT-ZDUSSCGKSA-N	373.391	4.983	50	20	FJGD	
O=C(NN=Cc1ccc(-c2cccc(Cl)c2)s1)c1ccccc1F	914693562	ZITNBIRTLSBBSA-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3c(Cl)cccc3Cl)cc2C1	916353429	MMCNMBFBFQUZCI-JTQLQIEISA-N	367.301	4.944	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O[C@H](C)CC)cc2)cc1	919869648	ARLTYAHRHOVSSH-VVZNPABPSA-N	364.445	4.808	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3c(Cl)cccc3Cl)ccc2c1	1116290141	OCVRMSFVTRUJBO-UHFFFAOYSA-N	361.228	4.912	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2F)c1OC(F)F	8202134	HDDYIQWXTFTHDV-JLHYYAGUSA-N	361.319	4.616	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cccc(NC(=O)C2CCCCC2)c1	30873455	XTERHTWNHHHSAK-UHFFFAOYSA-N	371.868	4.616	50	20	FJGD	
O=C(NNc1ccnc2ccccc12)c1ccccc1COc1ccccc1	106924775	SKWVAQKNZBKHQX-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	155694591	YWBHRBZVTMIBFA-UHFFFAOYSA-N	364.408	4.530	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc([N+](=O)[O-])s3)n2)cc1	180711881	BYWSFCRCANENTD-XYOKQWHBSA-N	369.427	4.853	50	20	FJGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)c1nc2cc(F)ccc2s1	730148083	BFDQKLALKUMAOC-QPJJXVBHSA-N	353.209	4.540	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)c2ccccc2F)cccc1OCC	732576997	IXKVHOWGGPHSDE-SSZFMOIBSA-N	353.393	4.803	50	20	FJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1cccc(Cl)c1	737787420	KMFHOAKNIWHFKP-LLVKDONJSA-N	356.775	4.681	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(F)c(Cl)c1	773154282	LLTGRZIPDUENSK-VGOFMYFVSA-N	369.758	4.594	50	20	FJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	777872248	OTEAVCOOSLZQLS-CHHVJCJISA-N	364.342	4.905	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3ccc(F)cc3)on2)cc1	780806432	QCUIXXMPDSBNJJ-UHFFFAOYSA-N	353.397	4.535	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1Cl	788565888	OFRBQBCPIPSVGG-UHFFFAOYSA-N	372.812	4.516	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCC2(CCCCC2)O1	791183239	ZIFXOPRAUHJGKO-JKSUJKDBSA-N	357.585	4.699	50	20	FJGD	
CC(C)(CC(=O)NNc1c(F)cccc1Cl)CC(=O)c1ccccc1	799425049	QKMHFMBXLVLWJR-UHFFFAOYSA-N	362.832	4.612	50	20	FJGD	
CCOc1ccc(NNC(=O)CCC[C@@H](C)c2cccc(OC)c2)cc1	817904889	VOEHEFWWMHEOHF-MRXNPFEDSA-N	356.466	4.511	50	20	FJGD	
N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1nccs1	817915879	ALDHXHAEHYHJIA-FNORWQNLSA-N	358.637	4.649	50	20	FJGD	
C[C@@H](CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)N(C)C	822459978	CBMOIVBAVVXUTC-JTQLQIEISA-N	361.380	4.806	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2F)c1C	915847580	CSZHUVVLWBQZKF-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1OC	915862293	KCPBSCIBDUKGSZ-PDGQHHTCSA-N	373.412	4.683	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3ccc(OC)cc3)o2)c1C	1117210487	ANGFNFGNENQQNV-LDADJPATSA-N	362.433	4.638	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC[C@H](CC2CC2)C(=O)O)c1	1776269078	GIUWHBBQGRQPDT-KRWDZBQOSA-N	363.574	4.661	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	59116844	NFLSMAPIDVOCIR-PTNGSMBKSA-N	370.836	4.683	50	20	FJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1csc2ccccc12	124881628	NDHYAPPUDVMTAX-UHFFFAOYSA-N	366.364	4.599	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc2cc(Br)ccc2o1	158374883	HZKUVRDYJNUJFW-UHFFFAOYSA-N	365.614	4.606	50	20	FJGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)NCc1ccco1	186154084	ODLHKKVEFWIRMS-UHFFFAOYSA-N	356.316	4.665	50	20	FJGD	
C/C(=C\C(=O)NNc1c(Cl)cc(Br)cc1Cl)C1CC1	742005209	OMIZAQQVIXKBLA-QPJJXVBHSA-N	364.070	4.555	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(Br)c(C)c2)c1	746393915	MKHLXGFTTZYMJZ-OQLLNIDSSA-N	356.219	4.556	50	20	FJGD	
Cc1cc(Br)ccc1C(=O)NNc1ccc(Cl)cc1Cl	748009388	IBMCRSAEROQUFM-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(Cl)oc3ccccc23)c1	761182921	VMBNDYKWBWFCIA-FMIVXFBMSA-N	352.777	4.640	50	20	FJGD	
CC(=O)c1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1C	770079388	ISEUBFPDPDGCHT-UHFFFAOYSA-N	352.221	4.653	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143806	FIWTVMXQLWSWNX-BJMVGYQFSA-N	350.296	4.568	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1ccc(F)c(Cl)c1	773144764	LFZHAULNKSISQQ-QPEQYQDCSA-N	365.738	4.913	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](F)Cc1ccccc1	777928546	NYAQDBFGSXMLFY-GOSISDBHSA-N	356.466	4.904	50	20	FJGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1cc2ccccc2cc1O	783784278	BANSGZPDAWCZBX-UHFFFAOYSA-N	364.832	4.862	50	20	FJGD	
CSSCCNC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1	790895359	NPFYKQAGQGJLHC-SECBINFHSA-N	353.340	4.707	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)s1	797266757	LIPWXPLOZKSVBU-UHFFFAOYSA-N	355.168	4.831	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1nc2ccccc2cc1Cl	810685344	LXFBRRVQOXLGFJ-UHFFFAOYSA-N	351.837	4.524	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)Nc1cccc(Cl)c1Cl	811686724	ZXHGGVYMDJUZFJ-XFFZJAGNSA-N	360.175	4.550	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	817937682	ZXNYLLCUDUHSCX-QINSGFPZSA-N	369.446	4.537	50	20	FJGD	
CC(CCCCC#N)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	841611315	RWYOHRFVHZSVIV-UHFFFAOYSA-N	374.897	4.840	50	20	FJGD	
C[C@H]1[C@@H](CO)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841684860	IIRCGJOZGLCBGE-WDEREUQCSA-N	374.375	4.969	50	20	FJGD	
CCc1cccc2c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c[nH]c12	916152755	DZDMXPSOWHJGRE-YVLHZVERSA-N	370.861	4.722	50	20	FJGD	
C[C@@H]1CCCCC1=NNC(=O)c1ccccc1OCc1ccc(F)cc1	916294990	KXASIUADCXSCTG-OAHLLOKOSA-N	354.425	4.701	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)c1	916978256	LOSPXNPFRLCYCJ-KRWDZBQOSA-N	361.445	4.595	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(N3CCOCC3)cc2)cc1	7211489	AXBNYPUTGZNQPJ-CAPFRKAQSA-N	374.484	4.611	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)c1nc(-c2ccncc2)cs1	194580432	FRNXJCPUIBKYFN-UKTHLTGXSA-N	363.833	4.570	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1C	209646468	XZINJIKIXNNTJA-DHDCSXOGSA-N	370.836	4.520	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)c1ccsc1	255435075	MTJYDQKVEXYAQX-KCPLEYNQSA-N	373.861	4.749	50	20	FJGD	
C[C@H]1C[C@@H](O)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	296718184	GAOXSASYPVIZMH-ONGXEEELSA-N	360.348	4.721	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)ccc1OC	588424957	SNJCMIVCULPNBZ-JYRVWZFOSA-N	361.850	4.736	50	20	FJGD	
O=C(CCCCCc1ccc(O)cc1)NNc1cccc(C(F)(F)F)c1	729532627	FCWOTGRSWGIRPH-UHFFFAOYSA-N	366.383	4.657	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)c1nc2cc(F)ccc2s1	730148664	JGTKJCPOWCVLMH-YFHOEESVSA-N	354.797	4.801	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)c(Cl)c2)c1	731488384	FLLFENAWRDFOIV-MDWZMJQESA-N	362.763	4.796	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1)C1CCCCC1	732716444	QEDBEHWAHHEGBY-SSZFMOIBSA-N	352.409	4.784	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(C)n(Cc4ccco4)c3C)[nH]c12	735669454	PHAVSDLAJAGMBC-WQRHYEAKSA-N	356.429	4.995	50	20	FJGD	
COc1cc(CN(C)/C(=C/C#N)c2ccc(F)cc2)c(SC)cc1OC	750801301	YKDHANIIICINOQ-RQZCQDPDSA-N	372.465	4.561	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773147016	ZAUGBLPJWVAVRJ-AWNIVKPZSA-N	362.257	4.645	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1ccc2ccccc2n1	777463578	XZCZDIXKOBGOBQ-UHFFFAOYSA-N	367.861	4.789	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@H](C)[C@@H]3C)s2)cc1	781124071	UNDJFGGINJSZPR-STQMWFEESA-N	371.506	4.548	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)C1CCCC1	781554680	STMYEJRSWNMSAM-GANRHZMWSA-N	359.853	4.564	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794691012	LVMSYXXEZOBVRT-ZROIWOOFSA-N	361.367	4.803	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	808870013	RDGYYAXRPRDXBP-NSHDSACASA-N	371.334	4.612	50	20	FJGD	
C[C@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@H](c2ccsc2)O1	811465764	MVMJGNAIUAKKBR-HNAYVOBHSA-N	365.926	4.718	50	20	FJGD	
CC(C)(F)CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	849457438	TYWUPKYJZHIIAO-UHFFFAOYSA-N	371.368	4.761	50	20	FJGD	
COc1cc(F)cc(NNC(=O)CC(C)(C)Cc2ccc(Cl)cc2)c1	857474157	UJUCLHIDRBJUSK-UHFFFAOYSA-N	364.848	4.590	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(Br)c1)c1nc(-c2ccccc2)no1	916131902	QTOVCAPOIUANRI-JYRVWZFOSA-N	370.181	4.702	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccnc2Cl)c(C)n1CCC(C)C	1115825440	NCIRRUUZAGBXPA-BOPFTXTBSA-N	370.884	4.745	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OC	50234352	ZRPFUGJCHNHKME-BOPFTXTBSA-N	374.440	4.811	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Br)s1	151963567	ZJUIBAPCNHBYMJ-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3C(F)(F)F)cc2C1	254842760	WSKPNRLGALDCNL-NSHDSACASA-N	366.408	4.656	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1c(Cl)nc2ccccn12	255002246	SVWCCDZYSQMAJZ-RAXLEYEMSA-N	360.804	4.567	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccccc1	727264445	SWVLBVZUOLIVPO-RIYZIHGNSA-N	364.754	4.582	50	20	FJGD	
N#CC(C#N)=CNCc1ccc(OCCSc2ccc(Cl)cc2)cc1	728260652	QYUFOFRSEKFVFX-UHFFFAOYSA-N	369.877	4.532	50	20	FJGD	
Cc1c(C(=O)NN=c2cc[nH]c3ccccc23)oc2c1ccc1ccccc12	730288241	ABYXPWBEVOCGFB-UHFFFAOYSA-N	367.408	4.621	50	20	FJGD	
O=C(NNc1ccccc1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1	747988148	SSWZYCMQANFZHE-LJQANCHMSA-N	352.821	4.603	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc([N+](=O)[O-])c(O)c3)n2)cc1	748147457	OMRNUVGNBLKELR-NVNXTCNLSA-N	363.398	4.797	50	20	FJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc2sccc2c1	748704203	BOSQFHQHIYYURW-UHFFFAOYSA-N	366.364	4.599	50	20	FJGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1Cl	753302540	IUTUTBLSNYMNAI-RBUKOAKNSA-N	361.832	4.612	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	756784182	REFIVZDXGFJASX-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Br)c(Br)c1	757525948	JLUZLSSFNURVEV-IZZDOVSWSA-N	371.072	4.734	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccc(Br)s1)c1cccc(Cl)c1	763355602	WSDDKEIXUUFMLZ-SECBINFHSA-N	371.687	4.683	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2Br)ccc1C#N	766489416	DWBJTCMJTWXCGZ-VGOFMYFVSA-N	368.190	4.602	50	20	FJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	770060886	BZVGNBJHZVIGAN-CQSZACIVSA-N	371.506	4.739	50	20	FJGD	
Cc1nc(-c2cc3c(s2)CCN(C[C@H](C)CBr)C3)cs1	770666120	IQNVQUQGKHDUTF-SNVBAGLBSA-N	371.369	4.569	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)c1ccc(F)c(Cl)c1	773159581	IGZWGKIHPZZVBO-ZSOIEALJSA-N	352.752	4.924	50	20	FJGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c1	775638749	HDUVFJUFMFVVAH-XNTDXEJSSA-N	357.356	4.865	50	20	FJGD	
C=C(CBr)CN(Cc1cccc(-c2cccnc2)c1)C1CC1	791481398	FSKAWZQEBJACHF-UHFFFAOYSA-N	357.295	4.664	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	794875677	XKHNDBPCADVNKM-JYRVWZFOSA-N	355.419	4.631	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1)O[C@@H](C)C2	797398828	LJSLVUJPWVRGTB-QNKXHIPISA-N	354.475	4.837	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(Cl)c(C)cc2Br)c1	804470531	WVKVCQUDLXRSGF-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1	817921226	NEKQBNAHHVMXKC-SEYXRHQNSA-N	364.367	4.651	50	20	FJGD	
NCC1(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCCC1	841179210	LONVTGUKOSCDII-UHFFFAOYSA-N	359.364	4.737	50	20	FJGD	
COc1ccc(Cl)cc1CNC(=O)CCCC[C@H]1CCSS1	915710913	ZLGIENOHEFGFQH-AWEZNQCLSA-N	359.944	4.679	50	20	FJGD	
O=C(CCc1nc2ccccc2o1)NN(c1ccccc1)c1ccccc1	916739603	BFKWMJVWMJXMEA-UHFFFAOYSA-N	357.413	4.630	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(-c3ccccc3)o2)n1	920387658	NPMTWAXDFPADOX-UVTDQMKNSA-N	350.399	4.644	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1	920398466	IXQXJAHWGRIXET-QGOAFFKASA-N	372.449	4.895	50	20	FJGD	
Cc1cnc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)s1	928628459	UUPLHBHFXQESQE-YVLHZVERSA-N	368.506	4.921	50	20	FJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C)c(Cl)c1	1321106438	MQLQVTWBWCDWHX-UHFFFAOYSA-N	355.825	4.623	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)NC1CCCCC1	7157736	AWRJDSORBAWYAE-GXDHUFHOSA-N	371.893	4.819	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1)c1ccccc1	171157554	JDHFGXJCKFQOMS-GYZOOYGHSA-N	359.454	4.594	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cncc(OC(C)C)c1	178419016	JFNUCPPKHPRGKP-UHFFFAOYSA-N	369.490	4.819	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CCC#N)c2ccccc2)c1C	178703200	OASNXVZSGMMMMT-ONQWYEKWSA-N	374.488	4.583	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(-c2cccs2)n1	179610345	GMWITVBYPOCSJU-YRNVUSSQSA-N	371.824	4.731	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2C)c1C	211867617	UVDJKOKEYLYTGW-PDGQHHTCSA-N	353.441	4.898	50	20	FJGD	
Cc1ccccc1-c1cccc(C=NNC(=O)c2cccc3ncccc23)c1	730147498	VPOFNGWNMZXVPS-UHFFFAOYSA-N	365.436	4.974	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1nc2ccc(Cl)cc2[nH]1	732159199	HDSUFYFGEKAMIZ-LBPRGKRZSA-N	369.943	4.547	50	20	FJGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	750816993	HNUNHMMRQRDUBA-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1	777465658	VHYUEDVSNQQOCH-OUKQBFOZSA-N	371.362	4.800	50	20	FJGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1ccc(C(C)(C)C)cc1	780803619	KHUGTWBPLWACQA-UHFFFAOYSA-N	355.463	4.766	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(OC(C)C)cc2C)ccc1Cl	788578452	UYRDUAUXUTZSEX-UHFFFAOYSA-N	363.845	4.593	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1sccc1Br	791713811	NAFOBLVWCJBXHC-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c1	793706462	MCHXWLVFWMXAKG-UHFFFAOYSA-N	357.413	4.869	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccnn3C(C)C)n2)cc1	794875391	RMGRBJAOSKGCBC-XNTDXEJSSA-N	350.447	4.660	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H](CCO)c1ccc(Cl)cc1	807845037	UQKSTQHOBWIUNX-JKSUJKDBSA-N	373.971	4.594	50	20	FJGD	
CO[C@@H]1CCOc2c(NC(=O)NNc3c(C)cccc3C(C)C)cccc21	812976275	YYOZTIMXFZACAQ-GOSISDBHSA-N	369.465	4.737	50	20	FJGD	
O=C(NN=C1CCCC[C@H]1CCCO)c1ccc(-c2ccc(F)cc2)s1	814769798	IKKOQIJGWPCVNA-AWEZNQCLSA-N	374.481	4.603	50	20	FJGD	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nnc2n1CCCCC2	6209542	WWYWKMZIAYZUKW-HMMYKYKNSA-N	370.456	4.648	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccco1	8200527	NHKMSHGWONFZCN-NTCAYCPXSA-N	371.421	4.984	50	20	FJGD	
Cc1nc(CSc2ccccc2C(=O)NNc2ccccc2)cs1	124379345	NDNQJYXGWVCAGR-UHFFFAOYSA-N	355.488	4.501	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)c1ccc(Br)s1	171670957	DVZCZQZGISMNOJ-WEVVVXLNSA-N	354.175	4.579	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC#N)cc3)n2)cc1	255208304	WOXCZSJZGQQGNT-SFQUDFHCSA-N	373.437	4.785	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1O[C@H]1CCOC1	268373679	KUCOTZFJEBXTSY-GJZGRUSLSA-N	367.536	4.507	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(SC(F)(F)F)cc3)nc12	741470363	QHLRICCPGSDNCN-XYOKQWHBSA-N	360.364	4.942	50	20	FJGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1cc(Cl)ccc1Cl	752809478	DSXFTBJZELOGSP-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc2occc2s1	753174641	DVXYXYFXHPZSLW-UHFFFAOYSA-N	365.252	4.576	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2c(Cl)oc3ccccc23)c2ccccc2n1	761253008	MNSBZQRUINXVRI-UHFFFAOYSA-N	363.804	4.707	50	20	FJGD	
C[C@](CO)(NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	762976941	YXYMZEPOLIIYPE-CYBMUJFWSA-N	360.348	4.627	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1Br	767878372	MTUCLRMPILKSQV-SXGWCWSVSA-N	369.262	4.920	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(-c2cccs2)n1	769552807	YFEOEYMUKDJHLH-YRNVUSSQSA-N	366.446	4.962	50	20	FJGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(COC2CCCC2)cc1	775636844	XDDCUHOGEFMPSZ-UHFFFAOYSA-N	361.392	4.573	50	20	FJGD	
C=CCN(C1CC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778053317	PTIPOZSNPZUXPJ-UHFFFAOYSA-N	363.373	4.683	50	20	FJGD	
COc1ccc(C2(C(=O)NNc3ccc(C(C)(C)C)cc3)CCC2)cc1	780805794	BCZIJYLKZLNHHP-UHFFFAOYSA-N	352.478	4.558	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(C#N)c1)c1ccc(Cl)cc1Cl	787145046	OIYOUDUUVJVCLG-IYVNWDGISA-N	370.239	4.649	50	20	FJGD	
CC(C)(O)[C@H]1CCCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788021545	QKMVSDGKCVNZGC-LJQANCHMSA-N	363.618	4.944	50	20	FJGD	
COc1cc(NNC(=O)c2sc3ccccc3c2Cl)ccc1Cl	790186124	FOJINKPYVFPNBQ-UHFFFAOYSA-N	367.257	4.974	50	20	FJGD	
Cc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)cnn1C1CCCCC1	791734052	QBDADTWGTKJLJJ-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C\c2ccc(F)c(F)c2)c(C)c1	794690813	KPKMCNLSINGQBE-JCFRVBNTSA-N	352.384	4.992	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](c1ccccc1)c1ccccn1	813030370	KIMYQHBFWCXZMT-QFIPXVFZSA-N	374.488	4.929	50	20	FJGD	
CN(C)[C@@H]1CCc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc21	836880795	PNZUPLMICVDEEO-FUHWJXTLSA-N	364.580	4.888	50	20	FJGD	
CC(C)C[C@@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841180070	WRHFNTNHVVAMAI-NSHDSACASA-N	361.380	4.839	50	20	FJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC(F)F	915983970	KBKSRXSINGMXKN-FAJIVVBTSA-N	368.811	4.543	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@@H]2CCc3n[nH]cc3C2)c1	921759068	PTSSDXHRPIHMRZ-GFCCVEGCSA-N	353.360	4.714	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cc(F)c(C(=O)O)cc2F)cc1	1776271624	LMGRMLMJZHIECV-ZSOIEALJSA-N	369.367	4.750	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(Cl)ccc1Br	120332914	AJERMQLXNPXKJG-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1ccc(OC(F)F)cc1	122300543	OZQCLUUJNWGUSH-UHFFFAOYSA-N	372.824	4.810	50	20	FJGD	
C/C(=C1\C(=O)OC(=O)C1=C1C2CC3CC(C2)CC1C3)c1cc(C)oc1C	135706003	OOVNPWVABCFZRY-HJJJESHSSA-N	352.430	4.506	50	20	FJGD	in-vitro
O=C(NNc1ccc2ccccc2n1)c1cc(-c2ccccn2)ccc1Cl	181116198	GHVKPQWORTUYKJ-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
CC(=O)c1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1	214210137	HATCBYHMXCCICC-JMIUGGIZSA-N	363.461	4.509	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2OCc2ccccn2)cc1	588467648	HLVGUBJBRABERB-ZHZULCJRSA-N	354.409	4.759	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](c2cccc(F)c2)C1	729444500	DTXULDQPNZZMKL-RDJZCZTQSA-N	353.528	4.856	50	20	FJGD	
CC1(C)CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1	735970848	JPGIMPNFIHOMBO-UHFFFAOYSA-N	372.472	4.983	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2csc(Cc3ccc(F)cc3)n2)c(C)c1	743765077	WYTZDETZRASSGY-UHFFFAOYSA-N	369.465	4.555	50	20	FJGD	
CC[C@H](CC(=O)NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1	748704263	FWXUDMAQDQEWMS-CQSZACIVSA-N	366.383	4.655	50	20	FJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc2sccc2c1	760835497	BWPGGXVOXDHAAK-UHFFFAOYSA-N	369.515	4.656	50	20	FJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)c1ccccc1OC(F)F	761384959	JQUASTJFDUYICO-YFHOEESVSA-N	374.343	4.827	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F)O[C@H](C)C2	773149741	KFBQMJCSFWVYEU-MQOXYSQQSA-N	371.795	4.601	50	20	FJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2cccc3cnccc23)s1	775885006	RZAKRZQQSBHAOJ-UHFFFAOYSA-N	374.469	4.732	50	20	FJGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	777464202	QGMJTJYXDZXDBU-VBKFSLOCSA-N	359.360	4.559	50	20	FJGD	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	787087729	DJNSXUSXVCZVSG-VMOJBDSFSA-N	366.848	4.705	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794964760	IDSZQJHSKDLKPS-CPNJWEJPSA-N	365.392	4.581	50	20	FJGD	
CC1(C)CC[C@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807452477	UVVOUHYVMVABHB-LLVKDONJSA-N	372.359	4.587	50	20	FJGD	
Cc1ccc(-c2nc(CNCc3ccc(OCCCCl)cc3)co2)cc1	811482789	SHWVOVSLRJAYPH-UHFFFAOYSA-N	370.880	4.948	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@@H]1N	841178688	GMLJGFRLGJPDLT-SKDRFNHKSA-N	359.364	4.545	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccnc(Cl)c2)c1	855465440	NZBYKIJVPQOBQF-UHFFFAOYSA-N	361.898	4.835	50	20	FJGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNc2ccc(OC(F)F)cc2)c1	857474201	VZZPLDFWZWATQX-CQSZACIVSA-N	362.420	4.733	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(Br)cc2)c1C	915857501	SXJQPKLZOGQCAI-WJDWOHSUSA-N	369.262	4.843	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)ccc1OC	916131590	KJRXIPKFYXQMQO-SFQUDFHCSA-N	361.401	4.598	50	20	FJGD	
Cc1ccc(NNC(=O)CCCCc2ccc(Br)cc2)cc1	916162179	FUYRHMNKDLWCDV-UHFFFAOYSA-N	361.283	4.614	50	20	FJGD	
COc1cc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)ccc1OC(C)C	916349433	YGXRENXKRYYKKF-JKSUJKDBSA-N	358.482	4.559	50	20	FJGD	
C/C(C=NNC(=O)c1sc(-c2ccccc2)nc1C)=C\c1ccccc1	916349574	QPDMJJVXKJWOBN-DJAPPVTHSA-N	361.470	4.938	50	20	FJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1	916983311	RFQIRTBIQCDEED-UHFFFAOYSA-N	363.441	4.523	50	20	FJGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)C(=O)c1cccc(C(F)(F)F)c1	1116826359	HANZXXCAZBBTOR-XNTDXEJSSA-N	367.330	4.885	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(-c3cccc(C#N)c3)o2)c1C	1117231854	OUTMFIBOKULZQP-YBFXNURJSA-N	357.417	4.501	50	20	FJGD	
COc1cc(NNC(=O)c2[nH]c3ccc(C)cc3c2Cl)ccc1Cl	1320977488	SRIUPJLVBGEHFX-UHFFFAOYSA-N	364.232	4.549	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc3oc(C(=O)O)cc3c2)s1	1776277063	LTELSJOXMVUHNB-QPEQYQDCSA-N	352.415	4.949	50	20	FJGD	
CC(C)C[C@@H](CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776318004	CSDUAUUWEGLNSK-KRWDZBQOSA-N	365.590	4.907	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)cc1	7157411	WNYPHUQIOYGGTH-XDHOZWIPSA-N	359.429	4.600	50	20	FJGD	
CCOCc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)ccc1OC	50234467	HOLGZDMJKXQKFK-YVLHZVERSA-N	374.440	4.811	50	20	FJGD	
CC(=O)Nc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1C	247916888	FYNLTIULCWJVRM-CQSZACIVSA-N	352.525	4.606	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1O	277138374	DKBCXSHHWRETPB-CABZTGNLSA-N	360.348	4.579	50	20	FJGD	
N#C/C(=C/c1ccc(CSC(F)F)o1)c1nc(-c2ccccc2)no1	733782327	QYAVPTAQIFINRF-WQLSENKSSA-N	359.357	4.850	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccc(C2SCCCS2)cc1	735696487	VMYRXLYKTUOJAZ-UHFFFAOYSA-N	366.458	4.590	50	20	FJGD	
COc1ccc2cc(/C=C\C(=O)NNc3ccccc3Cl)ccc2c1	743798070	HUDZRSDXBCTVDT-XFFZJAGNSA-N	352.821	4.658	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cc(-c2cccs2)nc2ccccc12	748099276	YAPXHCRXLGVNBA-UHFFFAOYSA-N	363.417	4.859	50	20	FJGD	
CN(Cc1ccccc1C(F)(F)F)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750034949	CSBMVFLSEQOKKW-YVLHZVERSA-N	361.323	4.610	50	20	FJGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2csc(Cl)c2Cl)c1C	761764951	AOTJVZKVELKRDR-NSHDSACASA-N	371.289	4.589	50	20	FJGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1ccc(COc2ccccc2)o1	764666558	MLGSWVJLFIGUDD-GOSISDBHSA-N	354.450	4.791	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3sccc3Br)n2)cc1	764887460	MSLGKLRNFYPBNN-XYOKQWHBSA-N	372.247	4.933	50	20	FJGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(C(F)(F)F)o1	771719096	PLWPSHMGVIIPIX-UHFFFAOYSA-N	369.730	4.565	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)c1ccc(Cl)cc1F	782886701	GIQVXADOSZIHAL-XGICHPGQSA-N	362.187	4.857	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)c1	789996303	NGJIPYORRWAOHT-UHFFFAOYSA-N	369.371	4.526	50	20	FJGD	
Cn1cc(C(C)(C)NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cn1	792877765	OZGOXUCLAPWPLB-UHFFFAOYSA-N	373.617	4.967	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)ccc1OC(C)C	794883749	CZJFVLNWXBOTJM-ODLFYWEKSA-N	372.424	4.820	50	20	FJGD	
CC(C)(C(=O)NNc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1	794913138	XJBPWTJIKMHMOR-UHFFFAOYSA-N	365.688	4.543	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccc(F)c(Cl)c3)s2)cn1	800791794	VWKKOBAQIACJLW-WUXMJOGZSA-N	371.824	4.731	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2Cl)c1C	809196922	ZLRCQYFNSBNPSI-XNTDXEJSSA-N	359.832	4.853	50	20	FJGD	
COc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)ccc1OC(F)F	812246496	MUNPIIVKXGNQFQ-IZZDOVSWSA-N	370.277	4.775	50	20	FJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccccc23)CC1	822079828	BQSLICDXELBRKN-GZIVZEMBSA-N	372.428	4.820	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H]([C@H]2CCCCO2)C1	855952166	SGTOHIZYCBKJJE-BRWVUGGUSA-N	357.585	4.508	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCc1cccnc1	857574312	ITDGOHLLTNBTDG-UHFFFAOYSA-N	353.491	4.741	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1cc2c(F)cccc2s1	932480162	CVMRXPPMNXZJDB-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
Cc1ccc(NNC(=O)c2cn(CCCC#N)c3ccccc23)cc1Cl	1320948002	UOYUZNNMOMBQAK-UHFFFAOYSA-N	366.852	4.664	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1nc2ccccc2s1	41980523	RKNUFZRBPHRVSP-ZDUSSCGKSA-N	366.577	4.669	50	20	FJGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1	97990496	LUXJIYDBTPARQW-LGMDPLHJSA-N	352.409	4.796	50	20	FJGD	
N#C/C(=C/c1cc2ccccc2o1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	125184679	RMKCQIHWTJYXEN-RAXLEYEMSA-N	373.437	4.674	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CCC#N)c2ccccc2)c1C	156957923	OASNXVZSGMMMMT-PHCAOYFPSA-N	374.488	4.583	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(Br)c1	211473152	WHWTYMKRSKUZBA-DHDCSXOGSA-N	355.235	4.612	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)cc1	211508935	IYRDZEUGJKFREN-JXAWBTAJSA-N	368.440	4.663	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccccc2Cl)c(C)n1-c1ccccc1	254875056	ONCQBGSEQSNQSG-UHFFFAOYSA-N	351.837	4.511	50	20	FJGD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	377224830	VSDCGORPGUTKKH-HOTGVXAUSA-N	367.584	4.671	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c1F	588619290	YBMKJPLGVNWNAJ-FLIBITNWSA-N	350.176	4.931	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc4c(c3)CC(C)(C)O4)n2)cc1	729148547	BUVBUUBJXRWLLH-WQRHYEAKSA-N	357.413	4.823	50	20	FJGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1cccc2ccccc12	734653991	NBXSGINXZRSRFZ-LLVKDONJSA-N	359.351	4.644	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)ccc1OC	741474830	ZVSCEBZWURIMFM-KNGSKEOJSA-N	362.433	4.516	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccnc3C)c2C)c1	744774440	KQSKQLSAJRQJBK-DEDYPNTBSA-N	370.456	4.652	50	20	FJGD	
Cc1cc(F)ccc1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	750897626	ZDCPLZZFUWRYQL-VGOFMYFVSA-N	370.232	4.779	50	20	FJGD	
CCOc1c(OC)cc(/C=C(/C#N)c2ccc3ccccc3n2)cc1OC	750913826	QLKBESZAKNZWKA-BOPFTXTBSA-N	360.413	4.715	50	20	FJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccc(Br)cc1	759659202	MPBLPHMDIVYHIY-PKNBQFBNSA-N	365.658	4.649	50	20	FJGD	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H](Br)C(C)(C)C	766982660	PTAGNRZIHKALKG-MFKMUULPSA-N	369.328	4.625	50	20	FJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-c2ccc(Cl)cc2)s1	768513219	SCNUXQRVAGTYAR-UHFFFAOYSA-N	368.849	4.702	50	20	FJGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNc1cccc(Cl)c1	773212534	KGJGWEXUKVMGQE-OAHLLOKOSA-N	353.853	4.702	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)c1ccccc1F	773908282	MOWOGTOTQLXZFF-QGOAFFKASA-N	358.372	4.686	50	20	FJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(Cl)c1	780332352	BOOCEPKTGIEBLP-UHFFFAOYSA-N	365.842	4.507	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2OC(F)(F)F)cc1	780806190	BAAAUHYDXBBYPH-UHFFFAOYSA-N	352.356	4.640	50	20	FJGD	
CCO/C=C(/C#N)C(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1	792552942	RJDPQPMJFSPMJM-REZBVGGZSA-N	366.383	4.593	50	20	FJGD	
Cc1nc2ccccc2n1C1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	796465520	ZFSILWRTEPCENB-FBHDLOMBSA-N	360.436	4.685	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cn1	797787579	WCIHCJBDHVSSKC-AQTBWJFISA-N	357.388	4.778	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(F)c(Br)c(Cl)c2)c1	802826503	GFZLYOXPYUKAFK-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Cl)c(N)c(Cl)c1	812765400	HGRHVBQKVBWGCW-UHFFFAOYSA-N	352.265	4.764	50	20	FJGD	
Cc1cc(C(=O)NNc2c(C)cccc2C(C)C)c2c(C(C)C)noc2n1	812766530	RGHYEJXKJKGJGC-UHFFFAOYSA-N	366.465	4.843	50	20	FJGD	
O=C(NN=C1CC[C@H](Cc2ccccc2)C1)c1cc2ccccc2cc1O	814694276	CLMQUMMHVTZVGL-QGZVFWFLSA-N	358.441	4.674	50	20	FJGD	
Cc1nnc(SCCO[Si](C)(C)C(C)(C)C)n1Cc1ccccc1	840003787	OYOYTAXMFRJKNI-UHFFFAOYSA-N	363.603	4.749	50	20	FJGD	
CC[C@H](C)N(CC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	850501108	KFEGSKAYAWZYFO-JTQLQIEISA-N	374.375	4.930	50	20	FJGD	
CCc1cc(SC#N)cc(C)c1NC(=O)c1c(C)ccc(C)c1C(=O)O	872833518	SVMHAYFBGICEEC-UHFFFAOYSA-N	368.458	4.698	50	20	FJGD	
COc1cc(C(=O)O)ccc1/C=C(/C#N)c1nc2cc(Cl)ccc2s1	1777269958	PBFHDBXWZHKEOQ-SDQBBNPISA-N	370.817	4.721	50	20	FJGD	
C/C=C/C=C\C(=O)NC1(c2ccc(NC(=O)C(C)(C)CCl)cc2)CCC1	1786012480	DGCJBRJFTXNTSM-LMJRQTCTSA-N	374.912	4.518	50	20	FJGD	
COc1ccc(-c2nnc(CCCC[C@@H]3CCSS3)o2)cc1OC	28823689	QYPCYCZRDGFYCI-CYBMUJFWSA-N	366.508	4.620	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)CCO2)c1nc(-c2ccc(C#N)cc2)cs1	66407959	QZFQWFHKVUIDLM-ZDLGFXPLSA-N	355.422	4.681	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc(-c3ccc4c(c3)OCO4)n2)cc1	154278449	FYSFLUHPKGIBMV-LZYBPNLTSA-N	374.421	4.637	50	20	FJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2cc(C)cc(C)c2)cc1	159153949	BAFLMNYGEGVQTC-UHFFFAOYSA-N	368.477	4.589	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)C(=O)c1ccc(F)cc1	213096208	WTKPDCZRJZBBAI-WJDWOHSUSA-N	363.367	4.557	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)c(C)c1	255523457	CNYIVUMSUOBAHV-AQTBWJFISA-N	363.461	4.741	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	727975951	JTLOLMGNGFCKOR-WTKPLQERSA-N	371.145	4.956	50	20	FJGD	
N#CCCn1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c2ccccc21	733782672	YTFOQRANBHOHIA-LGMDPLHJSA-N	365.396	4.669	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(-c2ccccc2)cc1F	733917047	MEZUXEGMHQESOH-UHFFFAOYSA-N	371.843	4.797	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c(OC(F)F)c1	734094264	AYQBRAAYDUTBAU-DHDCSXOGSA-N	357.356	4.703	50	20	FJGD	
COc1sc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1Br	746519274	BAJIUGNNHCYPDP-UXBLZVDNSA-N	374.263	4.768	50	20	FJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccc(Cl)c(F)c3)sc21	746702618	YGAYYDUSLSGXPD-UHFFFAOYSA-N	373.840	4.942	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc(Nc2ccccc2)c1	748643831	BJOOJHKQODCSFA-UHFFFAOYSA-N	369.371	4.789	50	20	FJGD	
CN(C[C@@H](O)C1CC1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752983318	XUURYHKRXURLBQ-GFCCVEGCSA-N	360.348	4.579	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2sccc2-c2ccc(F)cc2)cc1Cl	753296832	CIMOWSBDXFMDDM-UHFFFAOYSA-N	371.824	4.836	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2scc(C)c2Br)c(C)c1	754247769	LCSGNGCDOOVYEK-UHFFFAOYSA-N	353.285	4.501	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1	756876436	OTKILGNENJFQPH-OAHLLOKOSA-N	366.392	4.517	50	20	FJGD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	775823593	WJSGPKVAACCTGD-IYOUNJFTSA-N	371.543	4.732	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)c1ccc(OC(F)F)cc1	776259335	IDIHLIMSBSLXDY-UKTHLTGXSA-N	365.282	4.679	50	20	FJGD	
C=C(CBr)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1	796287575	BOAMZGNNPDJVRE-CQSZACIVSA-N	364.205	4.577	50	20	FJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1sccc1-c1ccccc1	798141928	IRIALGSMBBZCKQ-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
O=C(NNc1ncccc1F)c1ccc(Sc2ccc(Cl)cc2)cc1	804216781	ZAXDOEFHLNQIES-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NNc1cccc(F)n1	804767795	GJIJIFCIMXTQEY-PKNBQFBNSA-N	373.840	4.759	50	20	FJGD	
Cc1ccccc1-n1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)nn1	806572689	MYTGUHKCSPIKLU-MHWRWJLKSA-N	370.437	4.580	50	20	FJGD	
NC1CCC(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	841191296	XVLFYQOZBNABAC-UHFFFAOYSA-N	359.364	4.735	50	20	FJGD	
C[C@H]1[C@H](CO)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841688774	APYRWVMBNUWXOR-QWRGUYRKSA-N	374.375	4.969	50	20	FJGD	
COc1cc(C(=O)NN=C[C@H](C)c2ccccc2)ccc1OCCC(C)C	916349475	ZMZUKVCWWPHNPC-KRWDZBQOSA-N	368.477	4.639	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2oc3ccccc3c2C)cc1	918620644	FZUXGGRQKSUGHB-APVMCDBPSA-N	374.440	4.924	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(Br)c2)oc2c(C)cccc12	97106319	DRDKFGYPVMJMIZ-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1sccc1-c1ccccc1	131849071	QACKSZDSLIHBJR-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1O	277138366	DKBCXSHHWRETPB-BXKDBHETSA-N	360.348	4.579	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H](O)CC1	297010981	ZRIFVOUKXSOCAT-NSHDSACASA-N	360.348	4.723	50	20	FJGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1c(Cl)cccc1Cl	588579492	SDMLTGURYSMPDA-QBFSEMIESA-N	368.223	4.969	50	20	FJGD	
CCc1cccc2c1OCC[C@H]2NC(=O)CCCC[C@H]1CCSS1	725758393	IBQNGQWUVUCJAO-DOTOQJQBSA-N	365.564	4.903	50	20	FJGD	
O=C(CCSc1ccccc1Cl)NNc1ccc(OC(F)F)cc1	748661507	SVUULJDDXALBLM-UHFFFAOYSA-N	372.824	4.567	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)c1cccc(Cl)c1	748701508	HZVHUEOEVCAJEP-NSHDSACASA-N	372.774	4.528	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1COc2c(Cl)cccc21	758179610	RZGOZNDBSUKSES-RISCZKNCSA-N	357.928	4.604	50	20	FJGD	
O=C(NN=Cc1cnc(C2CC2)s1)c1ccc(-c2ccc(F)cc2)s1	761804407	PAKLXEUXWVCQCE-UHFFFAOYSA-N	371.462	4.652	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1	775559657	VCHMGOZGDDHCEK-JXAWBTAJSA-N	357.413	4.626	50	20	FJGD	
O=C(NNc1ccccn1)Nc1ccccc1SCc1ccccc1	779009401	BDMSGWUIWHNPEZ-UHFFFAOYSA-N	350.447	4.523	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)c(C)c1	780952088	NPBGSQYVVVTNRP-UHFFFAOYSA-N	360.417	4.505	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(-c4cnn(C)c4)s3)n2)cc1	800791593	RBRHFHUHTLCKCO-OQLLNIDSSA-N	373.441	4.571	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	806398837	URVLRCFAIGSYKS-UHFFFAOYSA-N	353.425	4.967	50	20	FJGD	
CC(/C=C(/C#N)c1nc2c(C)ccnc2[nH]1)=C\c1ccccc1OC(F)F	811691041	ITGFSJITTMELHQ-QFPSWVGZSA-N	366.371	4.878	50	20	FJGD	
O=C(NNc1cncc(Br)c1)c1ccc(C2CCCCC2)cc1	1319761940	QIRKVTOWTIFXRV-UHFFFAOYSA-N	374.282	4.649	50	20	FJGD	
CC1(C)OB(c2ccc(C3(O[Si](C)(C)C(C)(C)C)CC3)cc2)OC1(C)C	1772718207	XTUVHPDHPJSFRN-UHFFFAOYSA-N	374.406	4.997	50	20	FJGD	
N#C/C(=C\c1ccc(C2CCCCC2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129896	ACCKVAQEUGCDJY-XSFVSMFZSA-N	374.440	4.978	50	20	FJGD	
CNC(=O)/C(C#N)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1	7209780	XGZASUIPRZGHFV-KNTRCKAVSA-N	353.425	4.809	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(F)ccc2C)c1C	7970709	XJXUWRRVJNKFKO-WOJGMQOQSA-N	353.441	4.898	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	59269779	LKFMYLOVZXQFSN-WUXMJOGZSA-N	374.195	4.610	50	20	FJGD	
N#C/C(=C\C1=Cc2cc(Br)ccc2OC1)C(=O)c1ccsc1	63278633	BGYSNYABRKUAPS-MKMNVTDBSA-N	372.243	4.619	50	20	FJGD	
CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCCC[C@H]1CCSS1	101524576	BYRPSNLCXOZWHR-NSHDSACASA-N	374.478	4.576	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2OCc2cccnc2)s1	105570559	FRJJMJKCVKZNSF-WQRHYEAKSA-N	360.438	4.820	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)c1	158641984	WWPLDBXFJJFLJE-UHFFFAOYSA-N	369.465	4.716	50	20	FJGD	
O=S(=O)(N[C@H]1C=CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	181719316	VFCQWAZLXBAXJG-JTQLQIEISA-N	363.373	4.731	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1	731489394	FVXLILXANNQTBW-UKTHLTGXSA-N	356.800	4.545	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1Cl	732716176	JNPDOXVBZVRGNS-FOWTUZBSSA-N	358.869	4.603	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1	734296751	UXBGLIQLBSEWHO-UHFFFAOYSA-N	361.376	4.639	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cnc(C(C)(C)C)s3)n2)cc1	736432597	AYCNBHKWLVJMEU-ZROIWOOFSA-N	350.447	4.863	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C#N)c2)cc1	741853355	XKLKZVWCSLFXPE-VUFYJBQKSA-N	359.429	4.626	50	20	FJGD	
CCC[C@@H](NC(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1ccccc1	743525769	JZGSNHSFIRCNPA-MRXNPFEDSA-N	374.872	4.526	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(Cl)cc(Br)c1	749273207	FXSRZYDBJZPCNX-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2sc(C)nc2C)c1C	751299090	GCZLCFWJQRZLBB-YVLHZVERSA-N	356.495	4.524	50	20	FJGD	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	752047650	KTEMNNCUOCIPJI-IPMKNSEASA-N	374.575	4.999	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F	752143127	AJNOXPQNAMKYDW-SNVBAGLBSA-N	374.309	4.500	50	20	FJGD	
O=C(NN=Cc1csc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2	761750256	XQCJVQJESGCOEI-UHFFFAOYSA-N	357.306	4.721	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)CCC#N	765995679	XNEHBRLIZHCCIQ-HNNXBMFYSA-N	369.852	4.574	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(Cl)nc2ccccc12	777478705	IPDLKYGCCIISBN-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1	796982343	LGHRDSGYTLAURK-NTEUORMPSA-N	351.362	4.922	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1nc2ccccc2s1	799588486	BOELPEQRMORLTO-CYBMUJFWSA-N	354.479	4.554	50	20	FJGD	
O=C(O)C/C(=C/c1ccc(OCCCCl)cc1)c1nc2ccccc2o1	811687624	ICEMZZCCGDGJOH-QINSGFPZSA-N	371.820	4.851	50	20	FJGD	
CC(=O)Nc1cc(NC(=O)NNc2c(C)cccc2C(C)C)ccc1C	812924071	YHFGMMPIYQROOM-UHFFFAOYSA-N	354.454	4.534	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1C	915860164	MKHPQOOBKHPTMY-DHDCSXOGSA-N	371.824	4.866	50	20	FJGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1ccc(Br)s1	916354891	QCQJSCDFYIHSKG-MNOVXSKESA-N	355.301	4.587	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccccc2)c(C)n1CC(C)C	917370339	RBZJNTVMKQSKNA-MNOULKQQSA-N	363.505	4.888	50	20	FJGD	
Cc1nc2ccccc2n1C1CCN(C(=O)c2cccc(CCl)c2)CC1	1337211899	UTYQGGVMZTZMCF-UHFFFAOYSA-N	367.880	4.561	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1	26175442	CQFFJRALZZIZAG-GYZOOYGHSA-N	360.413	4.616	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Br)cc1Cl	48687732	CVNIZINMOUFHRI-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1cccc(NNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1	66313374	GKNHUTKLPXZDTB-UHFFFAOYSA-N	363.895	4.519	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2nc3ccccc3s2)o1	66326206	LOYQVBAFSPUHJD-UHFFFAOYSA-N	371.368	4.591	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1ccco1)C[C@@H]1CCCO1	130228441	BGIOJTYKGRELHM-IRXDYDNUSA-N	369.552	4.501	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(CCC(F)(F)F)cc1	152932304	GNBMGWLEYKPOCO-UHFFFAOYSA-N	362.395	4.817	50	20	FJGD	
CCO[C@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	194131679	UPOQFHBRUPANAM-IAGOWNOFSA-N	353.553	4.595	50	20	FJGD	
CC1(C)CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@@H]1O	276007317	ILSVNNNNPSEJJP-LBPRGKRZSA-N	374.375	4.969	50	20	FJGD	
COc1cc(C(=O)NNc2cccc(Cl)c2)ccc1OCCC(C)C	301243555	WFORZPAGNNEXJB-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)Nc1ccc(F)cc1	303423391	VGKHHGUWZQAFDN-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1cccc(OC(F)F)c1	728434945	SAZTXOVNNDDTEY-UHFFFAOYSA-N	372.396	4.780	50	20	FJGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)c1c(Cl)cccc1Cl	741764219	CARMFZNPBUNWOA-UHFFFAOYSA-N	351.164	4.643	50	20	FJGD	
Cc1cc(OC(=O)[C@@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-]	741887567	IXCFWDBZGUIVKF-NSHDSACASA-N	353.296	4.631	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccsc2)c1C	744413406	XRFNUPCAKWSPIJ-YBFXNURJSA-N	355.507	4.532	50	20	FJGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)s2)cc1	747052638	IUYWOFCVPPDJCJ-UHFFFAOYSA-N	365.845	4.704	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(Oc2ccccc2)ccn1	747589937	VLGOMOQFACCEOG-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1csc(-c2ccccc2)n1	748008991	ARXFFKKTFFKHHK-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1ccc(Cl)cc1F	753932159	NAEMFUCZHXMUNH-UHFFFAOYSA-N	351.208	4.796	50	20	FJGD	
CC(CC1CCC1)=NNC(=O)c1ccc(NN=C(C)CC2CCC2)cc1	758360913	IPKKSOKOGNCJGH-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
COC1(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)CCOCC1	763008608	VTDMYWZFLGATBP-CYBMUJFWSA-N	369.836	4.513	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccccc1OC1CCC1	763615680	RPSKHRMGXKHMEU-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cc2Cl)c1C	769730952	OSAIYPKHOITBSS-LICLKQGHSA-N	366.852	4.586	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)c1nc(-c2ccncc2)cs1	782889760	LYBXYVJNINWIBS-VIZOYTHASA-N	365.845	4.858	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccsc2Cl)c(C)n1-c1ccccc1	790142839	JPTZFHQFISXWSU-UHFFFAOYSA-N	357.866	4.573	50	20	FJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	794933954	OAMIWCHJOJEEFQ-DHDCSXOGSA-N	353.777	4.616	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	798344574	ITHXYPUTVFWCKD-IUXPMGMMSA-N	359.458	4.832	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F	806567959	OIJBGRKFZOLCHW-YHYXMXQVSA-N	373.256	4.598	50	20	FJGD	
CC(C)n1cc(CNc2ccccc2S[C@H](Cl)C(F)(F)F)nn1	808398042	XRWOGRMIJURXCQ-ZDUSSCGKSA-N	364.824	4.690	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	814187740	RGVDCTCXOQTQSK-ZQWOEWKVSA-N	360.457	4.942	50	20	FJGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNc1ccccc1C(F)(F)F	814268689	FCDPNJLTZRJBED-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
CC/C=C/CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	832067935	WKSQYCBBZQLXHE-ONEGZZNKSA-N	351.362	4.589	50	20	FJGD	
Cn1nc(C(F)(F)F)cc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	853005230	ZGWNDQPRJLGGCR-LCYFTJDESA-N	361.367	4.526	50	20	FJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3c(C)n[nH]c3C)c2C)cc1	915985418	VCTJBOHSOBFYHR-UNOMPAQXSA-N	372.472	4.786	50	20	FJGD	
CCOc1ccc(-c2nnc([C@@H](Br)C(C)(C)C)o2)cc1OC	1329096365	OVMQEJMPUARDBA-CYBMUJFWSA-N	369.259	4.626	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1OC	23612192	RQYPQRMWEMDDCV-GXDHUFHOSA-N	369.371	4.903	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	67144400	LHZBWMARGBNPKH-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2c(F)cccc2s1	84374486	FIRFAHWQWZPLBJ-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1nccs1	84419525	FEJMNFXPRHGMHK-XFXZXTDPSA-N	355.419	4.556	50	20	FJGD	
O=C(CC1CCOCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	117127645	XKOXUAWNHITXCY-AWEZNQCLSA-N	367.820	4.661	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cccc(NC(=O)C2CCCCC2)c1	120155700	MTOCUEQYNNGMHV-UHFFFAOYSA-N	371.868	4.616	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(F)c(Cl)cc1Cl	153687440	MWKIFOHCJHNOEP-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3cccc(F)c3)c2c1	154930898	MMSFBXGKJFDKLN-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1n[nH]c(C)c1CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183984531	QUCWWPNHZIRFJE-UHFFFAOYSA-N	355.332	4.865	50	20	FJGD	
Cn1cccc1/C=C(/C#N)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12	205795530	FTZWPVDNXSEQPA-SDXDJHTJSA-N	365.436	4.974	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccccc2)c1Cl	726119283	WSOOKHIJZXVNQE-BOPFTXTBSA-N	355.869	4.806	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(OC(F)F)c1	735619120	ICLCVAUMNGPVLQ-JYRVWZFOSA-N	355.344	4.546	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1Cl	741466924	CLLHMWFYRWGBSP-SDQBBNPISA-N	354.768	4.759	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(C2CC2)nc2ccccc12	747590927	MWGAAKGSHUKCKH-UHFFFAOYSA-N	371.362	4.888	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(\C#N)C(=O)Nc1c(C)cc(C)cc1C	764107352	LYKZUPSTYIRNNN-XDHOZWIPSA-N	371.440	4.714	50	20	FJGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)ccc1Cl	768497452	YEBNCSVSURUMCT-UHFFFAOYSA-N	362.820	4.640	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)c1ccccc1OC(F)F	775639402	OJYRDBQWWAUJOG-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
C[C@H](Cn1cccn1)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788016571	JFKCIMFHUXMINZ-QGZVFWFLSA-N	359.590	4.583	50	20	FJGD	
N#CCC[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccc1	790433172	JYPNMVPGEXRVPS-MRXNPFEDSA-N	363.248	4.665	50	20	FJGD	
Cc1cccnc1NNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1	791216547	WZQBAVQZGCHCQF-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
C[C@H](O)[C@@H]1CCCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)C1	792871553	MLJOUGFPJSDUNU-FXAWDEMLSA-N	363.618	4.801	50	20	FJGD	
Cc1nc(-c2ccccc2NC(=O)[C@H](Br)C(C)(C)C)cs1	794130062	PVJBHLQTEACRNV-AWEZNQCLSA-N	367.312	4.867	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC(Cl)Cl	808247156	RWUKSDUEPLYHNF-UHFFFAOYSA-N	358.290	4.690	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	808248692	QHQZXRKMAIMBDU-UHFFFAOYSA-N	368.104	4.600	50	20	FJGD	
CC[C@@H](C=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1	814762102	NNPBSMDQHTUNEF-KRWDZBQOSA-N	362.429	4.768	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@@H](F)C1	846703182	JODNITAYFAMNOM-BXKDBHETSA-N	370.799	4.872	50	20	FJGD	
CCc1ccc(C(=O)NNC(=O)c2sc3cccc(C)c3c2Cl)cc1	871400852	ZXDAQDGBPKWORJ-UHFFFAOYSA-N	372.877	4.500	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1noc(-c2ccsc2)n1	897305551	XGHNWHJAQKVBTA-GFCCVEGCSA-N	370.521	4.555	50	20	FJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1cc(F)c(F)cc1F	84403671	GLYDVNOMZLFHGA-UHFFFAOYSA-N	360.788	4.626	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc(-c2ncco2)c1	93093106	DVKCSAPDOAFOOT-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Oc2ccccc2)o1	152105652	WSVQCWOOPVKZLZ-UHFFFAOYSA-N	373.206	4.591	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCc2cccnc21	193773675	RFGOYMPJOHCLHG-LLVKDONJSA-N	370.667	4.605	50	20	FJGD	
N#CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	194336285	TZDXBDFIPGLTQS-WOJGMQOQSA-N	368.421	4.648	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC(F)F	211488957	YSTASUHKRLNSIS-GDNBJRDFSA-N	372.371	4.541	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)c1nc(-c2ccc(C#N)cc2)cs1	588421295	ZQEBOVQXVVEWNT-QPEQYQDCSA-N	364.411	4.716	50	20	FJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)CC(C)C	726120360	POGQOROVZLRNMJ-OQLLNIDSSA-N	359.832	4.555	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2ccccn12)C(=O)c1ccc(F)cc1	730589595	VDCUHVNXURVNHC-JXAWBTAJSA-N	367.383	4.930	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(-c3ccccn3)c2)c1C	747691840	WNKDUAIOCLQUFM-ZHZULCJRSA-N	353.425	4.911	50	20	FJGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)Nc1ccc(Oc2ccccc2)cc1	748439412	QEBGNWVQLPIKSI-LFIBNONCSA-N	371.421	4.958	50	20	FJGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3cccc4c3CCCC4)s2)o1	748577547	IIGUKPYJLBKKSY-UHFFFAOYSA-N	367.474	4.656	50	20	FJGD	
Cc1oc2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	759074947	YUKKCJBWXFGULI-XNTDXEJSSA-N	357.818	4.733	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)C3CCCCC3)cs2)cc1	767714575	RIUWQZDUEXPYKV-LFIBNONCSA-N	352.459	4.875	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)c1	767898581	RUPXAXVSYZRALK-DHDCSXOGSA-N	364.401	4.748	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1	772171734	LPZRSMVBQSDBBW-GZTJUZNOSA-N	351.377	4.571	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccccc1NCc1ccco1	777533441	QLACMVVWBSVPCP-UHFFFAOYSA-N	372.428	4.505	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(Cl)s1)O[C@H](C)C2	783688078	RQDQZVMFNDAVJR-YRVKEHPISA-N	359.834	4.523	50	20	FJGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@H](C)C1	783788790	XUXXPCSFARKTAS-JKSUJKDBSA-N	372.472	4.839	50	20	FJGD	
COc1cc(F)c([C@@H](C)NCCO[Si](C)(C)C(C)(C)C)cc1OC	788022268	AWRKRDZHRICFGI-CYBMUJFWSA-N	357.542	4.515	50	20	FJGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)cn2c1	789148112	OHXCKESATAXIID-AWNIVKPZSA-N	373.309	4.591	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccsc2Cl)n1	790100190	NUDLNELIWOPMEM-UXBLZVDNSA-N	351.884	4.701	50	20	FJGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)cc1OC	794952666	HPDAQYGCKSJBKF-UZNZLNSGSA-N	371.477	4.557	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21	813870225	SXJZFNXKJUVHGR-LIRRHRJNSA-N	373.522	4.509	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H]2NCC[C@@H]2C1	841191127	VRPWWNYVFSGUNI-MFKMUULPSA-N	371.375	4.560	50	20	FJGD	
CCOc1ccc(NNC(=O)CC2CCC(c3ccccc3)CC2)cc1	857513513	YUIRBIMUWRYMKU-UHFFFAOYSA-N	352.478	4.893	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCCc1c[nH]c2ccccc12	899893283	YHUZPGOMFJNBMR-UHFFFAOYSA-N	352.390	4.621	50	20	FJGD	
CC(=O)c1ccc(CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	915800737	LKOXDPQHNUQIBV-UHFFFAOYSA-N	371.651	4.535	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2c(F)cccc2F)c(C)n1CC(F)(F)F	915863436	XRNSONWVSGKUOJ-GHXNOFRVSA-N	368.305	4.735	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1O	921138682	YQLAJWNSCXSSJP-ACAGNQJTSA-N	362.212	4.888	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)c1C	1115863416	ZCMSQLCSRFKPPR-HMMYKYKNSA-N	359.473	4.681	50	20	FJGD	
CC(CC[C@@H]1[C@@H](C)CCCC1(C)C)=NNC(=O)c1ccc(C(=O)O)cc1	1776101281	AFIAKXKAXSFHJT-KBXCAEBGSA-N	358.482	4.733	50	20	FJGD	
CCOc1ccc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	16168385	TUFRIYRQARNLSJ-XDJHFCHBSA-N	368.483	4.699	50	20	FJGD	
O=C(CCCc1ccccn1)NNc1c(Cl)cc(Cl)cc1Cl	112774553	YCZGQTKMYGLIRD-UHFFFAOYSA-N	358.656	4.508	50	20	FJGD	
COCCCCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	120964318	VEEGFFJULPXFJI-CYBMUJFWSA-N	355.809	4.661	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccn1	209907669	WPKFKHUBVDGBDJ-RGEXLXHISA-N	369.424	4.515	50	20	FJGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1nc(C)cs1	729623161	GSSKMTQZFXJUSZ-LLVKDONJSA-N	359.282	4.536	50	20	FJGD	
CC(CCc1ccccc1F)=NNC(=O)c1c(Cl)cccc1Cl	734096144	ILTGSLZAXSQOKK-UHFFFAOYSA-N	353.224	4.871	50	20	FJGD	
CO[C@H](CNC(=O)CCCC[C@@H]1CCSS1)c1cccc(Cl)c1	742865383	NTNQQNLNLIWDCB-HZPDHXFCSA-N	373.971	4.858	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1cc(Cl)ccc1OC1CCCC1	743429361	LQAAXOOREJYLEY-UHFFFAOYSA-N	356.853	4.734	50	20	FJGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccc(Cl)cc1Cl	748019166	YKYGREGWQJXFAM-UHFFFAOYSA-N	358.294	4.813	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1sc2cc(F)ccc2c1Cl	748763974	PKSBOZIHWQUNQV-UHFFFAOYSA-N	371.824	4.999	50	20	FJGD	
Cc1nn(C)c2ncc(/C=C(/C#N)c3nc4cc(Cl)ccc4s3)cc12	750904315	HUWTXVSNYPDZPB-XGICHPGQSA-N	365.849	4.604	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc2ccc(Cl)cc2n1	752791051	GLNCGFFKRPDQQR-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753925692	MMXDYHRVYZAEQC-SNVBAGLBSA-N	370.347	4.751	50	20	FJGD	
CC(C)c1ccc2cc(C(=O)NNc3nc(C(F)(F)F)cs3)[nH]c2c1	755860498	XDCIJISYZNQBEO-UHFFFAOYSA-N	368.384	4.524	50	20	FJGD	
O=C(NN=Cc1c(Cl)oc2ccccc12)c1cc(-c2ccccc2)on1	761252634	GQCMNQPYWZAGKI-UHFFFAOYSA-N	365.776	4.505	50	20	FJGD	
C[C@H](CBr)COC(=O)c1cc(-c2ccccn2)ccc1Cl	770400857	UECAUSSQCRFYJM-LLVKDONJSA-N	368.658	4.590	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)c(OC)cc2C)c1C	774907029	HLYHMQSNPBHUIJ-YVLHZVERSA-N	369.440	4.517	50	20	FJGD	
N#C/C(=C/c1nc2c(s1)CCCC2)C(=O)c1c[nH]c2cc(Cl)ccc12	776267084	WAWGGEWBLIIVFN-XFFZJAGNSA-N	367.861	4.946	50	20	FJGD	
Cc1ccc(SCc2cccc(C(=O)N3CC=C(C#N)CC3)c2)c(C)c1	780686417	KFRYYFGCPWAHNJ-UHFFFAOYSA-N	362.498	4.892	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1c[nH]c2cc(F)ccc12	783688268	IMWAEJPZLBZFOT-WZUFQYTHSA-N	369.739	4.658	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)cc1	787150808	GEUONNJQIIPAPD-BAACNHRGSA-N	372.424	4.740	50	20	FJGD	
CCCN(N=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C	794997009	MVECYJPGGNPYAW-AWEZNQCLSA-N	363.458	4.796	50	20	FJGD	
C=C(CBr)CN(C)[C@@H](C)Cc1ccccc1C(F)(F)F	805773248	TXHMDACPFLDCHM-LBPRGKRZSA-N	350.222	4.519	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)c1OC	806554055	IRQPWOLJHAGGSL-QGOAFFKASA-N	372.424	4.711	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12	811627752	GJLSMJSYIBRNSD-JYOAFUTRSA-N	374.293	4.821	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCCCCl)cc2)c1C	811686633	YLLWSVGOIIOFLV-QGOAFFKASA-N	368.864	4.857	50	20	FJGD	
CC(=O)Nc1c(C)ccc(NC(=O)NNc2ccc(C(C)C)cc2)c1C	836315000	ARUCDCAQWGRDOE-UHFFFAOYSA-N	354.454	4.534	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)c1	915984310	VZTQCORLBLWSEN-JYRVWZFOSA-N	362.763	4.796	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	1115851356	OKVLCYALWZDWAN-LFIBNONCSA-N	359.404	4.697	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)c1	60452855	WMNBBPHDCGMNBW-CPNJWEJPSA-N	353.425	4.962	50	20	FJGD	
N#CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1	63454596	TZDXBDFIPGLTQS-WQRHYEAKSA-N	368.421	4.648	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(Cl)nc4ccccn34)c[nH]c2c1	98125495	PCGMEDONCQJGOV-LCYFTJDESA-N	360.804	4.567	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1	171516984	LHSBSNPJTKOBKZ-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1	172680745	KMAJAZWRZCLZCN-NTUHNPAUSA-N	368.805	4.831	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccccc1S[C@H](C)CC#N	184323420	XBSWWQAZOLVDJP-CYBMUJFWSA-N	358.442	4.677	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)c(OC(F)F)c1	255030659	QGWYTCMPZDZFJC-WUXMJOGZSA-N	350.390	4.941	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1c[nH]c2cc(F)ccc12	588509295	JSTQLGOOKURXTB-WZUFQYTHSA-N	369.739	4.658	50	20	FJGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)s1	728004946	KQPZWVBAPXRUMX-VXLYETTFSA-N	369.534	4.696	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(OC(F)F)c1	734096020	VHUZEDLATCCJNK-QPEQYQDCSA-N	363.747	4.740	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)s2)cc1	734303732	YDUKMCSFLPXIII-BKAYVGFPSA-N	373.481	4.903	50	20	FJGD	
CCC(=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C1CC1	741161214	LGMWPSNPRZTIGB-UHFFFAOYSA-N	356.853	4.825	50	20	FJGD	
C=C(C)COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OC	741462322	BSVQVBDIDPBIBO-UHFFFAOYSA-N	374.440	4.567	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)c3cc4ccccc4o3)cs2)cc1	749822573	DZDYHVBFWSETDM-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(C)c1Cl	753176163	IHIPNIPWNLNBPX-UHFFFAOYSA-N	367.674	4.730	50	20	FJGD	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H](Br)C(C)(C)C	766982661	PTAGNRZIHKALKG-ZWNOBZJWSA-N	369.328	4.625	50	20	FJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2ccc(F)c(F)c2F)C1	767084643	SPDTUFOJLIEKGS-KGLIPLIRSA-N	372.431	4.703	50	20	FJGD	
Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H](Br)C(C)(C)C	767934831	QUCCWIQOFIHEIC-MRXNPFEDSA-N	361.283	4.805	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(O)ccc2Br)c1C	769774151	QVAFNVIRAFZZHJ-RIYZIHGNSA-N	356.219	4.561	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C#N	773143217	BFIVTKNTOVONKM-AUWJEWJLSA-N	374.293	4.515	50	20	FJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)NCc1ccc(F)cc1F	786049065	FEFHEUKVDZHKFQ-KPKJPENVSA-N	372.758	4.588	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1	794964562	DTOXTKHUYZERKR-UNOMPAQXSA-N	364.408	4.723	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(O)c(Br)c2)s1	797398558	IOTKGTNYRDVMJA-IZZDOVSWSA-N	363.280	4.973	50	20	FJGD	
Cc1c(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccnc1Cl	810288853	CNEQESQHQYUHBH-UHFFFAOYSA-N	366.852	4.787	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2ccccc2c1O	812019588	KTPMNZPXUVMDFE-UHFFFAOYSA-N	363.804	4.504	50	20	FJGD	
CCOc1ccc(NNC(=O)Nc2cccc(CCC(F)(F)F)c2)cc1	836449311	BFLONXVQERLBHG-UHFFFAOYSA-N	367.371	4.729	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)s1)C(=O)Nc1ccccc1	1776118546	VFFWSXXZMZANGC-FOWTUZBSSA-N	374.421	4.659	50	20	FJGD	
C[C@H](CCC(=O)O)CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776409253	GDVKOROKWWRJME-OAHLLOKOSA-N	351.563	4.661	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	7160062	GDFARWWWASDSRJ-GXDHUFHOSA-N	360.335	4.650	50	20	FJGD	
COCCOc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1F	108866794	DWDIPGRDXFYNTP-CQSZACIVSA-N	373.515	4.504	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCOC2(CCCCC2)C1	160569893	CGVBIVQWHITPDS-HZPDHXFCSA-N	357.585	4.699	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1	182004372	FYRPNMAHGUWUIN-UHFFFAOYSA-N	371.462	4.695	50	20	FJGD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NNc2ccccc2)cc1	255480479	LPLQWWUSYRFANF-UHFFFAOYSA-N	359.433	4.925	50	20	FJGD	
Cc1cc(C)cc(OCCNC(=O)CCCC[C@H]2CCSS2)c1	302999933	MSNCWBMHRPEOCW-KRWDZBQOSA-N	353.553	4.513	50	20	FJGD	
CC(=NNC(=O)c1ccccc1C)c1csc(-c2csc(C)n2)c1	729142709	CXFDQVOIPMDCFA-UHFFFAOYSA-N	355.488	4.642	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc(OC)c1OC	730149857	ZRNYCQHDZZHXEH-WUXMJOGZSA-N	370.405	4.525	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1ccc(OCC2CCCCC2)cc1	733362248	UGSPDNVHNMSZQA-UHFFFAOYSA-N	360.404	4.681	50	20	FJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2cc(F)c(F)cc2F)cc1	738541602	BWZBHRSHZDDHKG-GFCCVEGCSA-N	350.384	4.864	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccnc(Oc2ccccc2)c1	747589762	NNBYSGYHNDOHRP-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1ccc(NNC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1	749200535	KBTGAQKNTKKRMB-UHFFFAOYSA-N	367.474	4.663	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)c1ccncn1	758916618	RQXUMWHSAUKTSQ-AQTBWJFISA-N	363.424	4.702	50	20	FJGD	
Cc1oc2ccccc2c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	759074940	YUKKCJBWXFGULI-GDNBJRDFSA-N	357.818	4.733	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)c(Cl)c1	767409825	PYGPWQGQJLGUSU-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
N#C/C(=C/c1ccc2ccc(Br)cc2n1)C(=O)c1ccsc1	771520753	MNTZORIRVVVMOC-QPEQYQDCSA-N	369.243	4.849	50	20	FJGD	
COc1c(Br)cccc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	774135160	PMAXGLKCEUWNRH-ZROIWOOFSA-N	373.206	4.739	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC	774558056	IOWCGVVMJXNURG-VCHYOVAHSA-N	364.401	4.931	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1	779207426	WGDZMAVFEXDXLN-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2ncc(C(C)(C)C)o2)cc1	782451203	MQPZKFPVEYKCAE-VQCBNXJZSA-N	368.433	4.582	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnc(C2CCC2)s1)c1ccccc1	787141772	PTEMULDUADVMCL-QIPHDZALSA-N	351.475	4.585	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794703542	VOTGWCICQIRVSZ-GULXKOIASA-N	361.367	4.803	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCC(F)(F)C1	799854507	OBUKACXIQRPJIM-ZETCQYMHSA-N	357.615	4.915	50	20	FJGD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	803109955	WJXVWPMWTFBHPI-ZANVPECISA-N	374.375	4.833	50	20	FJGD	
CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(OCCCCl)cc1	811501798	XTWYBXTWKMLQIB-IBGZPJMESA-N	361.917	4.638	50	20	FJGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNc1ccc(C(F)(F)F)cc1	815853649	UNRAMSNREXZTBJ-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
CCc1c(C(=O)NNc2cccc(Cl)c2Cl)cnn1C1CCCC1	838347749	BEMOYOWXPIFFGZ-UHFFFAOYSA-N	367.280	4.624	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1nc(-c2ccccc2)no1	916132137	VVAJSBIQYWORSV-CYVLTUHYSA-N	356.429	4.791	50	20	FJGD	
Cc1cccc(OC[C@H](C)NC(=O)CCCC[C@H]2CCSS2)c1	919696962	ZNOTZGBUMHONLD-RDJZCZTQSA-N	353.553	4.593	50	20	FJGD	
COc1cccc2c1CC[C@H]2NC(=O)CCCC[C@H]1CCSS1	153804165	NRIPCFKBLCIVPV-XJKSGUPXSA-N	351.537	4.513	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2sccc2C)c(SC)cc1OC	172698949	ZMPWASGDUISJMX-NTUHNPAUSA-N	359.472	4.586	50	20	FJGD	
CC(C)(C)[C@@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184407843	PACAOOFRJUEOTO-LLVKDONJSA-N	362.364	4.873	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OC(F)F	211456535	HRDGOPBLCCNTHU-PTNGSMBKSA-N	372.371	4.541	50	20	FJGD	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1c(C)nn(CCCl)c1C	303542565	KCKWOKKLLZADMB-GOSISDBHSA-N	361.917	4.564	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)c3c(c2)OCCCO3)s1	729819793	FNLOEWMAEDGXMH-QPEQYQDCSA-N	359.834	4.661	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CCC(C)(C)C)c1C	736052909	MJIJZMAVGNNQNA-KXNCSSMVSA-N	373.541	4.550	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1Br)C(=O)Nc1ccccc1	742429374	NVQIHNAIXPFILI-XYOKQWHBSA-N	361.626	4.648	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1	743056460	HFWANYPWMWYQFJ-FVLHSZHDSA-N	361.869	4.810	50	20	FJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1nccc2sccc12	743417091	WXPOEGZYCRYDKC-CQSZACIVSA-N	368.506	4.818	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H]1c1ccc(O)cc1	744335379	YKQJLBOGLIXNNL-IRXDYDNUSA-N	351.537	4.770	50	20	FJGD	
CSc1ccc(F)cc1CNC(=O)CCCC[C@@H]1CCSS1	744685961	KTTJHSFKNAQKGG-CQSZACIVSA-N	359.557	4.878	50	20	FJGD	
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNc1cccc(F)c1	748088215	BFKKHXKBBQGKMG-UHFFFAOYSA-N	362.404	4.599	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1	752812619	IBDFKXOBOOIBMY-IUCAKERBSA-N	355.187	4.805	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)c1	760147587	LORAFDOKHCWALB-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	767405343	ORMZBTBJOCJIRN-UHFFFAOYSA-N	363.603	4.551	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773159191	FMPFIQIXSOKMHI-WZUFQYTHSA-N	355.237	4.913	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(SC(F)F)cc2)cc1	781546004	AHRGVRKYUSCGKD-MHWRWJLKSA-N	365.426	4.648	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(C)c4ncccc4c3)n2)cc1	783702179	SCXOSNDOADEPRI-XDHOZWIPSA-N	352.397	4.966	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccs1)c1ccc(Cl)cc1Cl	787146102	VKPJJHPWLKXVJW-VUBLIPMDSA-N	351.258	4.839	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1)c1ccccc1	787177926	JKNNKYOMJCQRNL-ITICKHJUSA-N	357.413	4.516	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2c(-c3cccc(Cl)c3)noc2C)c1	795190869	BEDSMFLPKRSIHW-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Cl)c2ncccc12	801175979	MTINRWCZMVBFJH-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](CC(F)(F)F)C1	817630916	WTFLLTNTKXXIRB-STQMWFEESA-N	355.491	4.892	50	20	FJGD	
CC[C@@H](C(=O)NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1	920403202	ZLKKVHRXPHFQCO-CYBMUJFWSA-N	372.877	4.510	50	20	FJGD	
Cc1cnc(CCNCc2cccc(S(F)(F)(F)(F)F)c2)cn1	922172881	XPNAIJZPAABULA-UHFFFAOYSA-N	353.360	4.775	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C(=O)O)c2)cc1	1776807589	BXCAIVVTKLRMHD-LDADJPATSA-N	362.429	4.582	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)c2cccc(OC)c2)cccc1OCC	16390989	YLFSZSTYJHJXFO-QGOAFFKASA-N	365.429	4.673	50	20	FJGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	40140002	FAWJGYFSBMXPBO-ZSOIEALJSA-N	363.804	4.570	50	20	FJGD	
CCCn1c(C)cc(/C=C(C#N)\C(O)=N\c2cc(C)nc(C(C)C)n2)c1C	60188757	PZCHFKPPFJDZMB-WQRHYEAKSA-N	365.481	4.932	50	20	FJGD	
CC(C)CCO[C@H](CBr)c1ccccc1Br	71125344	CQWNRYIYFFDSSV-CYBMUJFWSA-N	350.094	4.948	50	20	FJGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)NCC(F)(F)F	185557855	MKZIBLOTXDZVNT-ZETCQYMHSA-N	372.281	4.823	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccn2Cc2ccccc2C#N)s1	187765793	ROYUYNGNHRHQEW-WOJGMQOQSA-N	357.438	4.568	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)s1)C(=O)NCc1ccco1	210331792	WYTQJVQMIFAZNJ-RAXLEYEMSA-N	368.845	4.885	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)C(=O)c1ccccc1	211761091	XUXYHODSCTXPPH-JYRVWZFOSA-N	365.282	4.679	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](O)CC1	297010977	ZRIFVOUKXSOCAT-LLVKDONJSA-N	360.348	4.723	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@](O)(C2CC2)C1	365864279	SNQHXVDNTNFZMM-CQSZACIVSA-N	372.359	4.723	50	20	FJGD	
Cc1cc(OC(=O)c2csc(-c3ccccc3Cl)n2)ccc1[N+](=O)[O-]	727296538	DFDDLDCBWNZTTN-UHFFFAOYSA-N	374.805	4.899	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	730436640	UFTKBCUBNAUVET-XYOKQWHBSA-N	362.248	4.699	50	20	FJGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1ccc(O)c(Cl)c1	734094405	NNXKQZGOXUYGMR-UHFFFAOYSA-N	356.834	4.538	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC)c2ccc(F)cc2F)cc1	737936066	NAFTYTHONRBXOY-RNTFSAEZSA-N	370.399	4.538	50	20	FJGD	
CC(=O)c1cccc(O[C@H](C)C(=O)NN(c2ccccc2)c2ccccc2)c1	745037239	HYZGCMXXRXAPAX-GOSISDBHSA-N	374.440	4.526	50	20	FJGD	
CCOc1cc(CN(C)/C(=C\C#N)c2ccccc2)ccc1OC(F)F	750606483	GHHBMHPTGFKJIE-BOPFTXTBSA-N	358.388	4.683	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccc(OC(F)(F)F)cc3)cc2C1	761590103	DAFVOBCESINOEH-SNVBAGLBSA-N	370.396	4.528	50	20	FJGD	
COC(=O)N1CCC(Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762788676	PVHOCVIWIBJHEZ-UHFFFAOYSA-N	360.348	4.987	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCc2c[nH]nc2C1	762977586	CUSIFTVSVYHHOG-UHFFFAOYSA-N	368.331	4.657	50	20	FJGD	
O=C(CC(F)(F)F)NN=Cc1c(Cl)cccc1Oc1ccccc1	769570487	PPGHIDUSLBSAKA-UHFFFAOYSA-N	356.731	4.535	50	20	FJGD	
CCOCc1cccc(NC(=O)NNc2ccc(Cl)cc2Cl)c1	769992653	JSEVPZCKHMMCAG-UHFFFAOYSA-N	354.237	4.679	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(Cl)c(Br)c3)nc12	776189593	IHZIXSCXTZUFJA-IZZDOVSWSA-N	373.641	4.746	50	20	FJGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1	777463829	UJIRGUQFGCAYPK-UHFFFAOYSA-N	373.378	4.675	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)C1CCCC1	781554218	IOTZLMCMJIFCOF-GZTJUZNOSA-N	353.853	4.560	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)c1ccc(Cl)s1	783687714	LJTOIKGPEFWOQM-VZUCSPMQSA-N	350.226	4.780	50	20	FJGD	
N#C/C(=C/c1cscc1Br)C(=O)c1cc(F)cc(F)c1	794689955	FFVNXAZPDJIIFJ-OQYWKCLKSA-N	354.175	4.579	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(-c2ccnn2C)c1	801647665	HKJJSWICHZTQKD-GXDHUFHOSA-N	367.861	4.900	50	20	FJGD	
CCc1ccc2occ(C(=O)NNc3ccc(C#N)c(C(F)(F)F)c3)c2c1	802830346	SYCCXASMHFYWAL-UHFFFAOYSA-N	373.334	4.643	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1	809147415	NXCBPSJDLLILMO-WMZJFQQLSA-N	371.072	4.734	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	812246529	NPIGZQMUEPRXRA-ZSOIEALJSA-N	354.335	4.863	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccsc1Br	832322686	RHALPNQZZULJPL-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CCc2ccco2)c1C	843314601	JUNKVNSSIBXIMY-RZKQZQCBSA-N	367.493	4.543	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1Cl	915847692	NUENXSJLNJSDJL-WJDWOHSUSA-N	370.884	4.808	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(-c2cccs2)c1)C(=O)NCc1ccccc1	917561778	NLFSSYOYGFIEFP-BOPFTXTBSA-N	362.429	4.778	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(-c4cnn(C)c4)cc3)c[nH]c2c1	1322454479	CALGJPDNANNDLI-ZDLGFXPLSA-N	366.424	4.667	50	20	FJGD	
Cc1nc2ccccn2c1-c1nnc(CCCC[C@H]2CCSS2)o1	1348897295	SOWBQUPDDPZSPR-ZDUSSCGKSA-N	360.508	4.559	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1OC(C)C	7157934	GAHPDHSZPCJAQN-LDADJPATSA-N	364.445	4.645	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(SC)cc2)cc1	27165663	NAFWMUXWTHAECM-COYFKBPASA-N	366.486	4.592	50	20	FJGD	
CC(=O)Nc1cc(NC(=O)CCCC[C@H]2CCSS2)ccc1C	48903992	KJWHXIWJAUFLJT-HNNXBMFYSA-N	352.525	4.606	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1c[nH]c2cc(F)ccc12	50766896	NOYIDIDSIZHSKO-HNNXBMFYSA-N	366.527	4.680	50	20	FJGD	
CC(C)OCCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	75899053	NOHASHSSUYDICR-ZDUSSCGKSA-N	355.809	4.660	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccc(C)cc2)n1	263697458	SSIORUJVIAZTEM-DWKHYPNZSA-N	367.474	4.658	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1	746882725	GXVATEWOYZQQHR-UHFFFAOYSA-N	368.820	4.898	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1	748366874	VLJNGWJRPQKASP-UHFFFAOYSA-N	351.837	4.776	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3nc(-c4ccccc4)no3)co2)cc1	749887739	YTFFDZWCGSJZPC-GZTJUZNOSA-N	354.369	4.764	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)c1cc2c(s1)CCC2	753688661	FTEPINUYCGTFDF-UHFFFAOYSA-N	372.799	4.673	50	20	FJGD	
CC[C@@H](CC(F)(F)F)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	760765253	QBQNFDIUNSOFQH-KZRVJCNKSA-N	369.431	4.515	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2cncs2)c(C)n1C1CCCCC1	761140841	KBLABBZSPROKEP-RQZCQDPDSA-N	369.490	4.717	50	20	FJGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccc(Cl)cc1	774341798	YENMVADSQILYGS-HNNXBMFYSA-N	353.853	4.702	50	20	FJGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)Cc1ccccc1F	786038420	AYDXBZXPBXHDCN-UHFFFAOYSA-N	364.873	4.672	50	20	FJGD	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	786888871	KLBUCBLZFVZFOY-BVTUPMQUSA-N	374.362	4.538	50	20	FJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)N[C@H](C)c3ccc(OC)cc3)c[nH]c12	787153849	GGGDANJWKSPSNR-PWDRBQJJSA-N	373.456	4.523	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)sc2c1	788688814	LNIOXSYVOSXYMQ-DHZHZOJOSA-N	369.833	4.504	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	789928699	OTTUQOSGKKXYHF-AYCSXLNKSA-N	371.868	4.511	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccccc1Oc1cccnc1	791717679	LBTPLTRGMFSGPT-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CN(CCc1cnccn1)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792873559	TURUECNNEWNVPM-UHFFFAOYSA-N	371.601	4.673	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc(C2CCC2)c1	798994837	WXQHYAQHJSVAOM-UHFFFAOYSA-N	350.340	4.610	50	20	FJGD	
CCC(C)(C)C1CCC(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1	803433157	RJVXLZNGIFAIEQ-UHFFFAOYSA-N	369.509	4.604	50	20	FJGD	
OCC1([C@H](NCc2ccc(OCCCCl)cc2)c2ccccc2)CCC1	816631362	OTQXLHCTEINWNR-OAQYLSRUSA-N	373.924	4.688	50	20	FJGD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(C)C)cc1	837053077	OCLVHNVZXOKJRB-UHFFFAOYSA-N	373.478	4.976	50	20	FJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccccc3Cl)sc21	912643160	DMPMLYOUGAJAAC-UHFFFAOYSA-N	355.850	4.803	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C(CCc1ccccc1)C(C)C	917543513	QKPKHHKQXCKFFA-UHFFFAOYSA-N	358.869	4.723	50	20	FJGD	
CN(NC(=S)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC(C)(C)C	920075582	FJNGDRNXJWEIDU-UHFFFAOYSA-N	373.478	4.547	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1OC	23702114	ZLDPJINTFPXCTE-UKTHLTGXSA-N	355.344	4.513	50	20	FJGD	
Cc1cn2c(/C=C(/C#N)c3nc(-c4ccncc4)cs3)c(C)nc2s1	58208975	KRRCMGOLOHZWGQ-AUWJEWJLSA-N	363.471	4.595	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccccc2)n1)c1nc2ccccc2[nH]1	60421447	LXKVYFZGYHGFTK-GXDHUFHOSA-N	358.426	4.663	50	20	FJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3ccccc3)oc2c1	111555538	JVVGBTALFFMZIS-UHFFFAOYSA-N	358.397	4.865	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Oc2cccnc2)cc1	151931506	RHRRICLHGSZJHI-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(Cl)c(F)c3)o2)cc1	175424577	FLHIVAVQUCKSRK-UHFFFAOYSA-N	373.815	4.518	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(F)c1	178808350	CBPSZMXLEWBUOO-ZSOIEALJSA-N	360.335	4.590	50	20	FJGD	
CC1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	183467164	CQYSPBLVUUCGFF-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
Cc1cccc2cc(C=NNC(=O)c3cccc4ncccc34)c(Cl)nc12	730146167	JBYDDIPIILWNMQ-UHFFFAOYSA-N	374.831	4.509	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F)C1CCCCC1	732715325	QTXOOYZWCVNYCB-UKTHLTGXSA-N	368.811	4.639	50	20	FJGD	
CCCCC(CC)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	732924455	UKDFDSQNQNBTPX-UHFFFAOYSA-N	360.461	4.983	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(Cl)c1OC	735616854	KRJJNCSHGQEVCZ-UKTHLTGXSA-N	353.809	4.606	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cnn(-c4ccc(Cl)cc4)c3)[nH]c12	735619786	QZKKGGHMPAVBSU-OQLLNIDSSA-N	359.820	4.775	50	20	FJGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1cccc(Cl)c1	737788241	PATSDIMOBDXYQC-LLVKDONJSA-N	356.775	4.681	50	20	FJGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1cc2ccccc2o1	749841138	UEXAONFTUSPVLP-FQEVSTJZSA-N	356.425	4.651	50	20	FJGD	
Cc1nc2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2s1	762844517	YCVXLVDXDQCLBE-UHFFFAOYSA-N	368.849	4.563	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1	794884284	OMCRMRIFDCSRHQ-ODAUKNCYSA-N	374.484	4.616	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)c1ccc2ncccc2c1	794884881	NKWWNDUWYVNUPS-SXGWCWSVSA-N	363.214	4.787	50	20	FJGD	
CCN(CCO[Si](C)(C)C(C)(C)C)CC(=O)Nc1c(C)cccc1C	808738469	ZEMRTGXWRWAIAV-UHFFFAOYSA-N	364.606	4.586	50	20	FJGD	
O=C(NCC[C@H](O)C1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	930762542	HFLCBFHMJCNKKY-LBPRGKRZSA-N	360.348	4.627	50	20	FJGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(C)c(Cl)c3)c2)c1	1116305558	QZASHMVNWFRQPX-UHFFFAOYSA-N	351.837	4.776	50	20	FJGD	
O=C(CC(F)(F)F)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	1337565161	RQSYVPJWUNLUBV-UHFFFAOYSA-N	365.138	4.656	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC[C@@H]2CCC[C@@H]2C(=O)O)c1	1776269134	SLZXRUMSEAAAFY-WMZOPIPTSA-N	363.574	4.661	50	20	FJGD	
CC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1	1791257062	RABREECBMZJQJI-KRWDZBQOSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C\c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	6430844	JHNOGZSPEFLRHO-NTUHNPAUSA-N	372.660	4.985	50	20	FJGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cc2sc3ccccc3c2s1	15423263	NDCQGKMOPDBYRI-UHFFFAOYSA-N	369.427	4.781	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(Br)ccc1Cl	120791070	NLKZWVVPAAVGBA-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CN(C)C(=O)c1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)[nH]1	186494923	DEZSVJJHGIGDCK-UHFFFAOYSA-N	369.359	4.986	50	20	FJGD	
C[C@@H]1COCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	364100512	KFUGNNPDUMJBKC-JTQLQIEISA-N	360.348	4.844	50	20	FJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1C	730260240	MTJOLPFMWSPPEF-OQLLNIDSSA-N	355.438	4.564	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)o1	734298669	BXBFATBDMTYPCB-UHFFFAOYSA-N	372.783	4.517	50	20	FJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)C(C)(C)C	740764268	QAIRFKCXBSEDIY-MHWRWJLKSA-N	355.869	4.724	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1	743055927	NFQURCSSJSAPER-ONRVGMAUSA-N	361.869	4.810	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1csc(-c2cccs2)n1	748577133	AFIPQYOCQSDWNH-UHFFFAOYSA-N	355.488	4.507	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1cc2ccccc2s1	752086027	ZAWUPMJHDRITCX-ATTDUZETSA-N	350.418	4.825	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C/c1nc(-c2cc(Cl)ccc2Cl)cs1	753897341	RYSVCALQNFCNFK-UXBLZVDNSA-N	365.241	4.753	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2c(C(F)(F)F)nn(C)c2Cl)n1	758932524	VDIDIEGHPVWIPF-YWEYNIOJSA-N	360.792	4.736	50	20	FJGD	
O=C(/C=C\SCc1ccco1)NNc1c(Cl)cc(F)cc1Cl	767406902	KPCTUSKSLGPTSA-HYXAFXHYSA-N	361.225	4.616	50	20	FJGD	
C=CCCCCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	770276839	PBWKYBUFYGMSRN-UHFFFAOYSA-N	365.389	4.979	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c(Cl)c1	775639807	VFXJLTGRGGISMJ-XYOKQWHBSA-N	363.747	4.740	50	20	FJGD	
CC(C)(C)Sc1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccn1	778932755	BLHGOVUGZYIDIT-UHFFFAOYSA-N	353.850	4.522	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1F	780003961	BEOQIXKUVPHRHV-UKTHLTGXSA-N	361.319	4.616	50	20	FJGD	
CC(C)C(=O)Nc1cccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)c1	780477453	YWHOTELQUMPXOC-UHFFFAOYSA-N	368.481	4.727	50	20	FJGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)c1ccc(Cl)cc1Cl	782223403	QFVHEOPSBIWTBS-UHFFFAOYSA-N	364.207	4.686	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc3ccccc3s2)cc1	787153648	FYUSDZJIPXLXJF-MTOJCTJASA-N	362.454	4.694	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)c1ccc2ncccc2c1	794883905	DUUZYNRGBPLZHT-SXGWCWSVSA-N	350.324	4.626	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1c(-c2cccc(Cl)c2)noc1C	795193945	SLVUWSCEVAZJQU-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
COc1coc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1=O	798992489	BJYWORRYXPVFQX-UHFFFAOYSA-N	371.283	4.558	50	20	FJGD	
Cc1c(C(=O)NNc2ncc(Cl)cc2Cl)sc2cc(F)ccc12	807268108	IIBQBXOXPDABLM-UHFFFAOYSA-N	370.236	4.808	50	20	FJGD	
O=C(NN=Cc1cscc1C(F)(F)F)c1c(Cl)cccc1Cl	811641234	SNYCACULKKAHGC-UHFFFAOYSA-N	367.179	4.838	50	20	FJGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	814770332	ZXKSMIAQZRQEPK-HNNXBMFYSA-N	369.465	4.990	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-c2nc3ccccc3s2)s1	816629223	CKZAZCCACDWRLO-UHFFFAOYSA-N	371.314	4.901	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)C1(c2ccc(Cl)c(Cl)c2)CCC1	817004488	FBXGJJPJMYXVLR-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2cccc(Cl)n2)cc1F	817010570	HRRXEELVEAAXOT-UHFFFAOYSA-N	373.790	4.746	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(C3SCCCS3)cc2)cc1F	856232561	VCQCZZAXWWIQES-UHFFFAOYSA-N	362.495	4.760	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2cc(C)sc2C)cc1	914762804	XPHCSFYOBHAKIP-RQNDZEIBSA-N	354.475	4.548	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)c1cccc2cccnc12	1318072864	XESAOCYOVTUFMM-UHFFFAOYSA-N	357.438	4.727	50	20	FJGD	
Cc1ccc2[nH]c(C(=O)NNc3ncc(Cl)cc3Cl)c(Cl)c2c1	1320398024	PCEGLWMTAPQMOL-UHFFFAOYSA-N	369.639	4.588	50	20	FJGD	
COc1cc(C(=O)NNc2ccccc2)cc(Cl)c1OCCC(C)C	70716547	RVNJZACAKRHQHX-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
COCc1ccc([C@@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)o1	161562305	FVYPCDFUQRIWTQ-HOTGVXAUSA-N	369.552	4.804	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(-c2ncco2)cc1	187665092	AXFSUDNCNUFIBI-UHFFFAOYSA-N	362.311	4.509	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1Cl	192695948	IXZSJMLROOTZSG-CXUHLZMHSA-N	354.837	4.820	50	20	FJGD	
CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193093278	DZINFDQEBXMYDB-ZJUUUORDSA-N	374.375	4.833	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2C1	725899656	FVVBPAXDRUHXCF-LLVKDONJSA-N	371.893	4.831	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1F	731489613	IHSAXEQYAJHXPF-CHHVJCJISA-N	364.342	4.905	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1)c1ccccc1	732714733	XFZODWTXLXPDND-PTNGSMBKSA-N	363.417	4.519	50	20	FJGD	
COc1ccc2cc(/C=C/C(=O)NNc3ccccc3Cl)ccc2c1	743798071	HUDZRSDXBCTVDT-YRNVUSSQSA-N	352.821	4.658	50	20	FJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccccc3Cl)cs2)cc1	748293120	WQNGRHYJLTZBNK-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
Cc1c(NNC(=O)c2sccc2-c2ccc(F)cc2)cccc1[N+](=O)[O-]	748683909	YGFVEIKZJZUQFR-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1C	748685448	QDGMEKXDWJQZNM-RHLNUJDMSA-N	361.445	4.598	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1SC(F)(F)F	748891454	WEHWSVNTRKMXBD-UHFFFAOYSA-N	364.751	4.848	50	20	FJGD	
CCc1nc2cc(NC(=O)NNc3ccccc3C(F)(F)F)ccc2o1	770034898	DNHCOIJIXAZZDE-UHFFFAOYSA-N	364.327	4.558	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)Nc1c(Cl)cccc1Cl	770567846	XQACQHWHUWMCBT-KPKJPENVSA-N	360.175	4.550	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1	775730807	INYUMXNVGHHWSJ-ZVMFBBOGSA-N	360.791	4.556	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1ccc(OC(F)F)cc1	776259588	LBPJWKOOFITODA-NTCAYCPXSA-N	372.371	4.661	50	20	FJGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1cc(-c2ccccc2)on1	783822886	YBKPIUJLMSTTIE-UHFFFAOYSA-N	365.820	4.658	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1F	786929701	UTAPQNYEWRAQOM-LDADJPATSA-N	358.372	4.744	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2OC(F)(F)F)c(C)cc1Cl	793876356	NTMREQFEUDSJFG-UHFFFAOYSA-N	358.747	4.612	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cn1	797789441	QQRCQPCEERMUJB-QGOAFFKASA-N	363.424	4.857	50	20	FJGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)c1ccc(Cl)cc1Cl	799872711	WJIYTANJJVWHTL-LBPRGKRZSA-N	362.260	4.832	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811626405	HOSJCIRLHVKRHB-XFFZJAGNSA-N	366.364	4.711	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC[C@H](CO)CC2)cc1	815278262	OIKWUNXPCWZNAJ-IBGZPJMESA-N	363.618	4.803	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)CC(C)(C)C)o2)cc1	918714318	SHRDONLBALKMPM-WJDWOHSUSA-N	351.402	4.645	50	20	FJGD	
CCN(Cc1ccccc1)c1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1	920381539	VCWBFRNATQUFSA-UHFFFAOYSA-N	367.493	4.914	50	20	FJGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1	921259622	WGKLZPSMKJCIHA-RIYZIHGNSA-N	358.800	4.812	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	6209450	VJFZGWBJWKEQBC-DHZHZOJOSA-N	350.415	4.917	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)c1	53625204	UQFIAYJFZCCKSX-GDNBJRDFSA-N	363.417	4.803	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccccc1	58822870	GQKUXNSWUOYQRH-CPNJWEJPSA-N	372.399	4.950	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1cc(Cl)cc(Cl)c1	78561066	YDASTYHODIGRIM-WMZJFQQLSA-N	353.155	4.817	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C\c2cnc3ccc(Br)cn23)n1	255216933	UKBOJHZOGZEBKH-WZUFQYTHSA-N	373.279	4.741	50	20	FJGD	
CN1CCCN(C(=O)CCCC[C@H]2CCSS2)c2ccc(F)cc21	746336976	MGCMHEAFOHHOGU-HNNXBMFYSA-N	368.543	4.713	50	20	FJGD	
C[C@@H](CCN(C)C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978146	KEHZYQWLPABRGR-JTQLQIEISA-N	361.380	4.806	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Br)s2)cc1	780803979	VKZQQEGULCNJID-UHFFFAOYSA-N	353.285	4.565	50	20	FJGD	
Cc1ccc2nc(/C=C(\C#N)c3nc(-c4ccc(C#N)cc4)cs3)cn2c1	789129846	YFDYLTMLNQPZRB-CAOOACKPSA-N	367.437	4.702	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)C(=O)c1ccccc1OC(F)F	794710820	JFMXOPMRKLBPIN-XKZGMXHESA-N	361.294	4.912	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc(-c2cccs2)nc1C	799760885	RXHGKCZDNLOCNL-UHFFFAOYSA-N	357.504	4.808	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)ccc1Br	812769751	UZGQHFBGNISCRP-UHFFFAOYSA-N	365.246	4.777	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1	815850972	KVCSTWPFJXYAIH-UHFFFAOYSA-N	371.318	4.594	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CSc2ccccc21	833093256	IEPJTIQSTWMWNU-KBPBESRZSA-N	353.578	4.706	50	20	FJGD	
CC(C)(CO)[C@H](NCc1ccc(OCCCCl)cc1)c1cccs1	835054889	MWRSIJOTKLREJD-GOSISDBHSA-N	367.942	4.605	50	20	FJGD	
CC1(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCNCC1	841191313	YIGLVCXLLZSWDE-UHFFFAOYSA-N	359.364	4.608	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2F)c1C	912688864	KWHJWOUYKKDUFD-YBEGLDIGSA-N	357.404	4.729	50	20	FJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F	915983973	KBKSRXSINGMXKN-YFVDUCKESA-N	368.811	4.543	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C2\COc3ccc(F)cc32)cc1	918154711	QIYPXXBQIZYGES-HVCBDAARSA-N	350.393	4.647	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cn(C)nc1-c1cc2ccccc2o1	920068510	MHHFWNUNYJSIPF-DHDCSXOGSA-N	373.437	4.993	50	20	FJGD	
NCC[C@@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	926093041	LRIPPQHRGYLVNV-SNVBAGLBSA-N	359.364	4.547	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3ccccc3C(F)(F)F)c(C)c2c1	68772931	FXXSVTIJFYIXAF-UHFFFAOYSA-N	364.323	4.526	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	96476199	VARBFIBGYBHZEC-UXBLZVDNSA-N	367.619	4.898	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc3cc(Br)cc(C)c3o2)c1	133772371	UHILJORPLYJGSL-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(Oc2ccncc2)c1	172000915	XYSFTLNWRJUHCV-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3cccc(Cl)c3)s2)c1	728781250	IVWFGUSGWKHCRO-UHFFFAOYSA-N	365.845	4.704	50	20	FJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccc(Br)s1	730437084	XFUPDIJDFZSCGV-POHAHGRESA-N	352.640	4.954	50	20	FJGD	
CS[C@H]1CCC[C@@H](NC(=O)NN(Cc2ccccc2)c2ccccc2)C1	735383497	MJKWXQOCXOKZGM-QUCCMNQESA-N	369.534	4.582	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccc(C)cc1	749192242	CUELTVSSWNRLMK-UHFFFAOYSA-N	362.429	4.943	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2cscn2)c(C)n1C1CCCCC1	749214906	KFPJOQYMOCMRIN-MFOYZWKCSA-N	369.490	4.717	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Cl)cc1Br	749284144	PECIKYQCMOXTFL-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1cc(Cl)ccc1Cl	752813104	QVMGFOVTWMJNPR-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(Cl)cc2Cl)c1C(C)C	753660857	XKZYESLCMRZTLS-UHFFFAOYSA-N	368.264	4.713	50	20	FJGD	
COc1ccc(C[C@@H](C)CNC(=O)CCCC[C@@H]2CCSS2)cc1	759870458	UKTMXDABJIEIIM-CRAIPNDOSA-N	367.580	4.704	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(F)(F)F)s2)c1C	761391195	HCRHIIRWARRYFK-WQLSENKSSA-N	350.365	4.929	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1	767405833	VGSGUQIUSSKXGI-JGVFFNPUSA-N	373.177	4.944	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c2ccccc21	769724446	HRWMEILSSMUADU-JLHYYAGUSA-N	353.784	4.639	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)C(=O)c1cccc(F)c1	772171014	APOCQFJCFQNCAN-WUXMJOGZSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C\c1cccc(Br)c1OC(F)F)c1ccccn1	776725172	FOCUXXSDEOOAKW-DHZHZOJOSA-N	351.150	4.510	50	20	FJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1ccc2ccccc2n1	777463271	NDFKBLYZPZNEKX-INIZCTEOSA-N	362.477	4.757	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cl)nc2Cl)c(C)c1	779360092	ZRPWOSQJVZNTQC-RIYZIHGNSA-N	360.244	4.859	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1	780605109	RSCINJSVHJCTQY-UHFFFAOYSA-N	373.407	4.878	50	20	FJGD	
C[C@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	782754338	ZINYQLRHCBAUKU-INIZCTEOSA-N	356.429	4.613	50	20	FJGD	
Cc1ccc(CCC(=O)NNc2ccccc2C(F)(F)F)cc1Cl	789952196	VHQHVXJNOLQVTK-UHFFFAOYSA-N	356.775	4.743	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCC2(CCCCC2)O1	791183226	ZIFXOPRAUHJGKO-HOTGVXAUSA-N	357.585	4.699	50	20	FJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3ncccc3C)c2c1	791225076	MDZTXTRURVWSAJ-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794869787	NBBSFBVLNRSTJR-QINSGFPZSA-N	370.387	4.591	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccnn3-c3ccccc3C)c[nH]c2c1	794874289	FSKZKXIGYOKVBD-SFQUDFHCSA-N	366.424	4.760	50	20	FJGD	
CC1(C)CC[C@@H]1NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	807452478	UVVOUHYVMVABHB-NSHDSACASA-N	372.359	4.587	50	20	FJGD	
CCc1nnc(-c2cccc(NCc3ccc(OCCCCl)cc3)c2)o1	811471328	ODHPCQWXBZATDI-UHFFFAOYSA-N	371.868	4.919	50	20	FJGD	
O=S(=O)(Nc1ccccc1C(F)F)c1ccc(CCCCl)cc1	818053891	NBPIOJLCAWOQBX-UHFFFAOYSA-N	359.825	4.596	50	20	FJGD	
C[C@@H](N)[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841190256	NXUTWPZFSYJZJS-GHMZBOCLSA-N	373.391	4.935	50	20	FJGD	
CN(CC1=CCCOC1)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	852519056	UJYINNIVMJNUKA-UHFFFAOYSA-N	361.602	4.987	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2cc(F)ccc2F)cc1	920159622	YXFILGPQCSIRQO-QQFZQELXSA-N	357.356	4.575	50	20	FJGD	
CCc1nc([C@H](C)NCc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	921946306	LRSBKZASTZBHLM-VIFPVBQESA-N	356.364	4.875	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1csc(-c2ccco2)n1	1319141997	HHWYQGCOIVLQTD-UHFFFAOYSA-N	366.354	4.684	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776751260	DGYLRBUJBUGFKA-IXGURIBZSA-N	361.441	4.893	50	20	FJGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)Nc1cccc(C(F)(F)F)c1	63275652	OFMZGSJJVRYSTK-WDZFZDKYSA-N	363.364	4.585	50	20	FJGD	
Cc1ncsc1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	128571688	NMVHFFSMROTCCX-LBPRGKRZSA-N	366.817	4.923	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(-c3nc(C)co3)c2)cc1	154637613	TVHBYEZUWUUEQM-WQRHYEAKSA-N	373.412	4.594	50	20	FJGD	
CC[C@H](C)N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186878975	CTTCXKDFKMCOGY-VIFPVBQESA-N	353.378	4.763	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1)c1ccccc1	588559422	RHKOTRHHAZIBBI-JBXOJTMHSA-N	353.491	4.615	50	20	FJGD	
C/C=C\C[C@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	588589294	WLJHZNSSXANDQZ-OTDNITJGSA-N	360.348	4.793	50	20	FJGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)c1nc2ccccc2n1C(F)F	588599351	RHTGEJUHIIEENM-GXDHUFHOSA-N	361.355	4.886	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C(F)(F)F)ccc2F)n1	733207184	WCDGCKNMEPLNRH-BJMVGYQFSA-N	370.327	4.542	50	20	FJGD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NNc1ccc(F)cc1	737068128	UZPKOESLSRDERF-GOSISDBHSA-N	369.465	4.806	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(Br)cc2)c1	741473019	DTZYAQAKLZSKOY-MLJKTZRHSA-N	372.266	4.547	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Oc2ccccc2)ccn1	744464586	UUZDLWVSLIDREM-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CC1	747607267	ZAKJRTPQDMUEPQ-UHFFFAOYSA-N	354.759	4.534	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2c(s1)CCCC2	754146581	BHGBAGGQYGNXCO-UHFFFAOYSA-N	358.360	4.542	50	20	FJGD	
Cc1cc(C=NNC(=O)c2ccc(Br)cc2Cl)c(C)s1	760253964	YKEWLRMZUGQFSZ-UHFFFAOYSA-N	371.687	4.545	50	20	FJGD	
CN(Cc1ccccc1NC(=O)NNc1ccccc1)C1CCCCC1	762238397	VRXBOZKSUQCGRB-UHFFFAOYSA-N	352.482	4.600	50	20	FJGD	
CCCCOc1ccccc1/C=C(\C#N)c1nc(C(=O)OCC)cs1	767352548	WAEXMWWNAQFXDB-RVDMUPIBSA-N	356.447	4.563	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1Nc1ccccc1	777463494	HMXYDXQGJHKZLL-UHFFFAOYSA-N	354.413	4.735	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)/C(=C\c1ccc(F)cc1)c1cccs1	778448655	HVAOMCPMNBWHLI-GDNBJRDFSA-N	373.840	4.620	50	20	FJGD	
Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1ccccc1	782017451	YXAFISNVXGABAF-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1	782305317	HDOGIJSBLAHTHW-KMKOMSMNSA-N	364.257	4.873	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1ccc(F)cn1	783865441	BYUQNVGAPHTZLV-ZDUSSCGKSA-N	364.751	4.692	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1)c1ccccc1	787176458	BUDXEOQDGDFYAP-OKPNHQCWSA-N	355.441	4.718	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c(F)cc(C(F)(F)F)cc1F	810466646	VULGGTBXMTUPSP-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cscc3C(F)(F)F)cc2C1	811634891	FMUJWLIENNGBMT-SECBINFHSA-N	372.437	4.717	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1C[C@H](c2ccc(F)cc2)C1	814347362	MJMOOEBVWRKPRL-DJIMGWMZSA-N	353.528	4.902	50	20	FJGD	
CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	836512083	MIJJCHOHPRWMHY-GFCCVEGCSA-N	373.391	4.902	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](O)CC1	836512664	SUWBLZBLWDORSD-NSHDSACASA-N	360.348	4.723	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(F)c(Cl)c2)cnn1C1CCCC1	863081649	SQOGKYVZHGODKH-UHFFFAOYSA-N	364.852	4.500	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(O[C@@H](C)CC)c2)cc1	919998349	XIUUJOUJPAZPOW-HZGBGQKMSA-N	364.445	4.808	50	20	FJGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)CCC2	1342045886	CDECYORHZOWSHS-CVEARBPZSA-N	367.584	4.672	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1C	11292417	ATSZWTFVHAYUOC-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc(-c3cccs3)n2)c1	78481810	QMJXZFDMZLUVOK-LCYFTJDESA-N	351.456	4.726	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1ccc(SC(F)F)cc1	97553664	YWAHPFYQYTWUFZ-DHZHZOJOSA-N	366.339	4.825	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2occc2CSc2ccccc2)c1	136125827	NEJNJKLMNJIROF-UHFFFAOYSA-N	352.459	4.946	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1OC	213512983	WGIXZVUADIFTIB-ATVHPVEESA-N	353.393	4.803	50	20	FJGD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)CCCC[C@@H]2CCSS2)C1	732134803	AWRNGYKKJCQEMN-DLBZAZTESA-N	372.644	4.717	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3c(-c4ccccc4)nn(C)c3Cl)[nH]c12	735619158	JOBCUCOISNABLL-RVDMUPIBSA-N	373.847	4.989	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)ccc1-n1cncn1	742432164	UDHQEJIJKRZYKY-UNOMPAQXSA-N	370.456	4.663	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1	750791735	OHROGLWUYKZSRU-SCDVKCJHSA-N	370.374	4.563	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)C1CCC(c2ccccc2)CC1	755859797	LAZLRXACTKSVNP-UHFFFAOYSA-N	369.412	4.579	50	20	FJGD	
CC[C@@H](C(=O)NNc1cc(C)ccc1F)c1cccc(C(F)(F)F)c1	760134159	ROEGKIPKJPBMHE-CQSZACIVSA-N	354.347	4.790	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccc(Cl)c2cccnc12)c1ccccc1	760258243	GPRWAJHOXYOIBP-INIZCTEOSA-N	351.837	4.532	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1	763103428	WLXXUQNNLVXXBA-WTKPLQERSA-N	353.230	4.609	50	20	FJGD	
CC(C)C[C@@H]1NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771858909	IAGMZMVIVYJRFL-NSHDSACASA-N	358.332	4.815	50	20	FJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1ccc(OC(F)F)cc1	776259041	YPNOOCZMMCPNAB-PTNGSMBKSA-N	350.324	4.626	50	20	FJGD	
Cc1cnc([C@H](NCc2ccc(OCCCCl)cc2)C2CC2)s1	798185988	COKWSQDVOQUAJU-QGZVFWFLSA-N	350.915	4.700	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1c(Br)sc(C)c1C	799756987	OZVVWIHWLXZPKD-UHFFFAOYSA-N	367.312	4.755	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(NC(=O)C(F)(F)F)c2)cc1C	809160495	QSNXAIIUEPPEPG-CXUHLZMHSA-N	372.346	4.594	50	20	FJGD	
O=C(CSC(F)F)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	839235907	NVZOTGCRVIMLFZ-SECBINFHSA-N	365.776	4.800	50	20	FJGD	
CC(C)(O)c1nnc(NCc2cccc(S(F)(F)(F)(F)F)c2)o1	905413812	SRQSNUGWNZCPCA-UHFFFAOYSA-N	359.320	4.567	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccsc3)o2)cc1	915989459	HFNNOURDQZPOMH-MHWRWJLKSA-N	363.394	4.585	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccccc2)c(C)n1CC(C)C	917370340	RBZJNTVMKQSKNA-QLTNSANVSA-N	363.505	4.888	50	20	FJGD	
CC(C)SCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558742	HFHUWNIXYJUEOZ-LBPRGKRZSA-N	357.850	4.986	50	20	FJGD	
O=P(CCN1CC[C@H]2CCCC[C@H]2C1)(c1ccccc1)c1ccccc1	1340736617	ZQXFVLXEETYZNG-RTWAWAEBSA-N	367.473	4.513	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)c1	22747836	RUPXAXVSYZRALK-OQLLNIDSSA-N	364.401	4.748	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1	103276945	UFTBGUQAVRCGLB-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1	109427998	DGIYIGZTQFBASR-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
O=C(Cc1cc(Cl)ccc1Cl)NNc1ccccc1C(F)(F)F	216293630	XQOLXFXBZHQLAB-UHFFFAOYSA-N	363.166	4.698	50	20	FJGD	
Cc1ccsc1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	254668998	KFWATNLJMFAKRF-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](c2cccc(F)c2)C1	729444501	DTXULDQPNZZMKL-WBVHZDCISA-N	353.528	4.856	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1ccccc1	733081021	KGABZIFCFBWBIY-OQLLNIDSSA-N	361.382	4.508	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)c1ccc2ccccc2c1	733203712	XBZVEUYKVPWRAK-UHFFFAOYSA-N	360.310	4.762	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2nccc3ccccc23)n1	740763649	FJUHXRLSRUQIPN-GXDHUFHOSA-N	362.458	4.534	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)c1	742345816	BXWJCMZQPRNNNX-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
COc1ccc(C)cc1C=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	744781429	WCDXPSOJWRHWRF-UHFFFAOYSA-N	368.433	4.635	50	20	FJGD	
Cc1ccc([C@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1[N+](=O)[O-]	752056270	UFIGIBUIGUDAKF-DZGCQCFKSA-N	368.524	4.795	50	20	FJGD	
C=CCN(Cc1ccc(Cl)s1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	763763463	JEFUUQURSLDXMT-PXNMLYILSA-N	359.838	4.862	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	785332829	FVHHDQRASHLOPZ-IZILLXMLSA-N	373.431	4.620	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)c1	793705347	CXEXGVHRWYSJLI-UHFFFAOYSA-N	369.465	4.716	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@H]1CCCO1	794873012	ATNZUEQAKSBWPS-XBNGYDHASA-N	361.869	4.810	50	20	FJGD	
CCCCCCCOc1cccc(/C=C(/C#N)C(=O)C2CCOCC2)c1	794958743	OLSYIHDGKDJLFT-HKWRFOASSA-N	355.478	4.938	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	798344750	LNLKZMZTQNCHBT-WUXMJOGZSA-N	363.248	4.625	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)[C@H](F)c1ccc(C(F)(F)F)cc1	801691219	JZBZBLKMJZLFQH-GFCCVEGCSA-N	364.701	4.652	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)cc1	817915412	LWAWFOHUVDNFTM-OUKQBFOZSA-N	364.367	4.651	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cn1	840713120	AIYHQGQGIAYPSP-WCIBSUBMSA-N	366.774	4.905	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc2ccccc12	844153228	YQQJVPGMDOVKST-CYVLTUHYSA-N	364.408	4.571	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1	884004034	BGOAIOIQWCPYBT-YBEGLDIGSA-N	351.406	4.525	50	20	FJGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)NNC(=O)c2ccccc2)C(C)C)cc1	915933069	DTTNBEMPJRNION-OXQOHEQNSA-N	367.493	4.541	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(OC(F)F)cc3)c[nH]c2c1	920068487	PJFHSSHSJKEOMO-NTEUORMPSA-N	352.340	4.868	50	20	FJGD	
CN(C)c1ncccc1/C=C(\C#N)c1nc2cc(C(F)(F)F)ccc2s1	1322818857	GWONDEKZEHPDMF-XYOKQWHBSA-N	374.391	4.840	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cccc2ccccc12	6279659	XYWFPSJHUXBZLC-LDADJPATSA-N	372.424	4.751	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1F	67427928	CYZMETKCAXBLBF-JYRVWZFOSA-N	365.433	4.787	50	20	FJGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)cnc12	172691776	DQTQDIKRMQAKSJ-NTUHNPAUSA-N	360.804	4.567	50	20	FJGD	
O=C(NCCN1CCCCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261433	IBEYIPUYQNPRAF-UHFFFAOYSA-N	373.391	4.951	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccncc2)n1	194574514	KPKXDECVNHHYKF-QGOAFFKASA-N	370.456	4.569	50	20	FJGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1	195332144	IHALMGYMXXHOLA-XYOKQWHBSA-N	370.817	4.907	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1C	207832360	RODOEBHHTRMWEV-UYRXBGFRSA-N	370.456	4.652	50	20	FJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1	209642837	REEGAFWIFVHUPW-LCYFTJDESA-N	356.303	4.997	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(SC)c(OC)c1)c1ccccc1	588558627	ORMARSVGBQIBMY-WQJNHMDYSA-N	366.486	4.592	50	20	FJGD	
CCc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cnn(CC)c3)c2C)cc1	732528942	GPFXJGCMBLWNEQ-NDENLUEZSA-N	372.472	4.663	50	20	FJGD	
O=C(CCc1ccc(Cl)c(Cl)c1)NNc1nccc2sccc12	734246850	LBHGZJSWJFGKBS-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
O=C(NN=Cc1cnc(-c2ccccc2)s1)c1cccc2ccccc12	741462755	OICJQKGQDZENAP-UHFFFAOYSA-N	357.438	4.727	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(Br)cc2)c1	741473020	DTZYAQAKLZSKOY-NCPSJORJSA-N	372.266	4.547	50	20	FJGD	
Cc1ccoc1C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	743422136	SDRBLIVZYIHMRQ-UHFFFAOYSA-N	373.387	4.706	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2[nH]c3c(c2c1)CCCCC3	746699575	ILXAUCXDAYNTOD-UHFFFAOYSA-N	373.378	4.611	50	20	FJGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)c1ccc2ccccc2c1	751525263	ATBPJZGIMJDWPO-UHFFFAOYSA-N	363.467	4.789	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2ccc(Cl)cc2)s1	754472035	ZBFGHLQPVOJWIQ-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CCc1c(C(=O)NNc2c(Cl)cccc2Cl)cnn1CCC(C)C	756863174	UPLOVWCWKAKGBL-UHFFFAOYSA-N	369.296	4.555	50	20	FJGD	
CSCc1cccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)c1	770029873	BHZITVGPPSQZQD-UHFFFAOYSA-N	371.384	4.597	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC	774558060	IOWCGVVMJXNURG-ZDLGFXPLSA-N	364.401	4.931	50	20	FJGD	
COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)C3CCCC3)c2)cc1	781556378	XFRXKTCDTGDLOD-UYRXBGFRSA-N	374.440	4.614	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2Cl)c1C	783685262	VHJHMQGUJINSFI-DHDCSXOGSA-N	369.808	4.642	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cn(C)nc3C3CCCCC3)n2)cc1	783689008	QWLWCLUPBXKZTG-LDADJPATSA-N	373.460	4.890	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc12	787461841	QMCKZKFEUXWSCT-GFCCVEGCSA-N	361.367	4.824	50	20	FJGD	
O=C(c1ccc(NCc2ccc(OCCCCl)cc2)cc1)N1CCCC1	811501286	ISDMMPLMXPIQJM-UHFFFAOYSA-N	372.896	4.542	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1OC(C)C	812246324	JCTTXISMLSFJCI-NTEUORMPSA-N	362.351	4.960	50	20	FJGD	
CCOc1ccc(NNC(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)cc1	817911995	XXESGVQDTFFQEV-UHFFFAOYSA-N	368.477	4.526	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1CN	841178291	CCRHMIMPRORXCQ-MNOVXSKESA-N	373.391	4.793	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1Cl	857473868	IOSARPHUAORISA-UHFFFAOYSA-N	368.811	4.996	50	20	FJGD	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(CCl)c1	1335741991	SFNXNDHWVAKZJI-PMACEKPBSA-N	357.881	4.665	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	96840518	KTHBAALAMBNNBB-QINSGFPZSA-N	373.368	4.709	50	20	FJGD	
CSc1ccc(C)c(C(=O)NNc2ccc(Br)c(C)c2)c1	114888974	PBGSMXKODRAYRY-UHFFFAOYSA-N	365.296	4.545	50	20	FJGD	
Cc1c(C(=O)NNc2oc(C(C)C)nc2C#N)oc2c1ccc1ccccc12	116127869	KJNOVVKKSOEBJL-UHFFFAOYSA-N	374.400	4.634	50	20	FJGD	
N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccccn1	124780034	DVPIYRALNXSMNH-LCYFTJDESA-N	353.834	4.835	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1cc(-c2ccccc2)ccc1Cl	128499853	NOCGQHQKTPGYSY-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl	726119335	XUPVIHYNDLJOFW-GXDHUFHOSA-N	359.832	4.886	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccc(OCCCC#N)c3)n2)cc1	726743702	OBMBKTBPJPOLKF-CPNJWEJPSA-N	370.412	4.792	50	20	FJGD	
O=C(NN=Cc1ccc(Br)cc1)c1c(Cl)cccc1Cl	727781689	VEKYAOJSLDJXTM-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ncc(-c3ccccc3C)o2)cc1	744502034	MDKMZFIWXBGYBW-WQRHYEAKSA-N	358.397	4.609	50	20	FJGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1nccc2sccc12	753793088	ZSYKOBYGUPNCRO-UHFFFAOYSA-N	373.437	4.882	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(Br)c(Cl)c3)nc12	754828167	OXXFLSYKDHFKMW-IZZDOVSWSA-N	373.641	4.746	50	20	FJGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)c1ccc(Br)s1	756877184	UWGBHMCBLZQXOQ-UHFFFAOYSA-N	371.687	4.545	50	20	FJGD	
COc1ccccc1[C@H](C)CC(=O)NNc1c(Cl)cc(F)cc1Cl	767406797	HXQXUERDOMFRAO-SNVBAGLBSA-N	371.239	4.778	50	20	FJGD	
N#CC1=CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)CC1	780687569	DTBKCFUKNMDAKH-UHFFFAOYSA-N	354.862	4.787	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(-c2ccnn2C)c1	801647753	OIBWNYFKOSYFOJ-ATVHPVEESA-N	366.424	4.667	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c(-c2cnn(C)c2)c1	802706837	ZXBZGGWLCILWPK-VCHYOVAHSA-N	358.401	4.676	50	20	FJGD	
Cc1csc([C@H](NCc2ccc(OCCCCl)cc2)C2CC2)n1	811482176	GWXKANSVWREKPB-QGZVFWFLSA-N	350.915	4.700	50	20	FJGD	
Fc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(OCCCCl)cc1	811485825	COGRXTDMIMIZSY-IBGZPJMESA-N	363.860	4.837	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc(F)c3C#N)n2)cc1	811688136	MZPZABBZXSCRJO-OQLLNIDSSA-N	361.401	4.894	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(NC(=O)C2CC2)c1	812919665	WIHLCZZFBKOYDQ-UHFFFAOYSA-N	366.465	4.616	50	20	FJGD	
Cc1cnc([C@H](NC(=O)NNc2c(C)cccc2C(C)C)C2CC2)s1	813084248	LHGHVOXRZDYKPF-QGZVFWFLSA-N	358.511	4.661	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	813139488	GYAYCJDHFRWNCP-AZUAARDMSA-N	367.493	4.665	50	20	FJGD	
Cc1nnc(CCNCc2cccc(S(F)(F)(F)(F)F)c2)s1	922135072	NLZCZNKJAFBXHM-UHFFFAOYSA-N	359.389	4.836	50	20	FJGD	
CC[C@H](C)[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776687963	LOZPNKHDUSRYLF-YOEHRIQHSA-N	351.563	4.660	50	20	FJGD	
CC(C)CCO[C@@H](CBr)c1ccccc1Br	71125342	CQWNRYIYFFDSSV-ZDUSSCGKSA-N	350.094	4.948	50	20	FJGD	
COc1ccc(C(=O)NNc2c(C)cccc2F)cc1-c1ccccc1	184363002	DXBOZNZYVXKUOF-UHFFFAOYSA-N	350.393	4.567	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(O)c3cc(Br)ccc3n2)s1	210011696	BFBSUBBCLUHPHU-POHAHGRESA-N	372.247	4.532	50	20	FJGD	
N#C/C(=C\c1nc(-c2ccccc2)c[nH]1)c1nc(-c2ccncc2)cs1	255058796	QJELBNUSPGRERV-MHWRWJLKSA-N	355.426	4.659	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1c(Cl)cccc1Cl	255730307	KAPHJNVNSXROBP-WTKPLQERSA-N	354.139	4.767	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1O[C@@H]1CCOC1	268373681	KUCOTZFJEBXTSY-HUUCEWRRSA-N	367.536	4.507	50	20	FJGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	588555536	OCJCIAHQNDZRMM-GDNBJRDFSA-N	369.364	4.655	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)c2cnc3ccccc3n2)c1Cl	588580660	NPOLGCAZMPEOGC-PTNGSMBKSA-N	371.831	4.748	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)Nc1cc(Cl)ccc1Cl	726608990	IIKCMAVDIVMRHU-UHFFFAOYSA-N	362.163	4.743	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cc(C)c(C)cc1OC(F)F)c1ccccc1	743441009	BCHRQXXWDCWWAG-QGZVFWFLSA-N	360.404	4.549	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(OCC2CC2)cc1	748008549	XZLDBZUXELDXPP-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	752812620	IBDFKXOBOOIBMY-RKDXNWHRSA-N	355.187	4.805	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cc3c(ccc4ccccc43)[nH]2)cc1Cl	753317797	VYSKWCPCVHEABE-UHFFFAOYSA-N	360.804	4.603	50	20	FJGD	
O=C(C[C@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1)c1ccco1	758698416	ODJCLJAYMBKVPN-HUUCEWRRSA-N	367.536	4.558	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)NC1CC=CC1	760007612	KZRLQGJMNVHAJF-GFCCVEGCSA-N	350.793	4.746	50	20	FJGD	
Cc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)cnc1Cl	760057050	QESOELDQAWBUQO-UHFFFAOYSA-N	366.852	4.787	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Br)c1)C(=O)C1CCCC1	781554687	TVSPGJQQTLYWRR-GHXNOFRVSA-N	370.193	4.717	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ncsc1-c1ccccc1	783679181	CHROPWFSGBPOFI-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(Cl)s1	783687693	OKEVGXCBZQDVFS-BJMVGYQFSA-N	366.225	4.616	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1ccccc1Cl	787167904	GXLKQLCJILYSSG-XHWVFBAXSA-N	367.792	4.740	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	798345321	SGSTVIUNFATWIY-WUXMJOGZSA-N	363.248	4.625	50	20	FJGD	
O=C(NN=C1CCC(C(F)F)CC1)c1cc2c(s1)CCCCCC2	799472478	UHDGDHJMZBKJDD-UHFFFAOYSA-N	354.466	4.948	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cn1	812241757	IWIWFFDYEYDRBD-GHXNOFRVSA-N	368.805	4.831	50	20	FJGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc2ccccc2o1	812434060	NDMHWSXLXWBORG-HNNXBMFYSA-N	358.397	4.504	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)Nc1cccc(COC2CCCCC2)c1	814623821	CKLGBBQTZFFCFV-UHFFFAOYSA-N	374.872	4.733	50	20	FJGD	
CC(C)c1ccc(NNC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1	837055485	GKIZCACZJKSFGW-UHFFFAOYSA-N	372.896	4.655	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(C)c1O	71795558	OSDGJJJROPITJP-ZROIWOOFSA-N	360.335	4.574	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(F)cc3F)c(F)c2)cc1	113430268	YAIWJWBAUNRFOH-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	125526699	FKKPBAFRYBMMRE-UGMNDJHYSA-N	355.419	4.631	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)c(Cl)cc1Cl	175425542	YALSQMBLNPLXFG-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
CN(C[C@H]1CCC[C@H]1O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184418118	FOESSJNMFFWSNX-ZWNOBZJWSA-N	374.375	4.969	50	20	FJGD	
CCN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1	190260358	QYHUGBQXZKUAOE-VCHYOVAHSA-N	371.469	4.597	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1	218798553	AQBTXHWWNAQFMF-UHFFFAOYSA-N	364.832	4.636	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cccc(COc2cccc(F)c2)c1	733950686	XKCUBNWMACCUMF-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
CC[C@@H](C)[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	735035260	NQUWPAMMRWXBCS-PXAZEXFGSA-N	361.829	4.521	50	20	FJGD	
COc1cccc(Nc2ccccc2C(=O)NNc2cccc(Cl)c2)c1	736546891	MPOJCIBGDIXHDL-UHFFFAOYSA-N	367.836	4.849	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	737444252	PRLBJLYNGOBKEK-YBEGLDIGSA-N	366.848	4.908	50	20	FJGD	
Cc1cccc(C(=O)NNc2c(Cl)cc(Br)cc2Cl)c1	742005480	WLXPTZNZACLTAN-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCc1ccc(-c2ccc(C(=O)NNc3cc(F)c(F)cc3F)o2)cc1	743414906	BIPYVGRAINITJH-UHFFFAOYSA-N	360.335	4.683	50	20	FJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccccc2Cl)s1	775882632	XPVQXSSGFKIHKG-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2c(F)cccc2s1	779201621	KPJXOVQHISMDLP-UHFFFAOYSA-N	370.327	4.696	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3cc(C)c4ncccc4c3)nc(O)c2c1C	783701339	UVDMSYXOHQYNKS-CXUHLZMHSA-N	372.453	4.935	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1ccc(-c2ccc(C)cc2)cc1F	788191250	QWZPYCPHBOZIQH-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
C[C@@H](Nc1ccccc1NS(=O)(=O)CCCCCl)c1ccccc1	799928504	BLUGXBBQMDUTIK-OAHLLOKOSA-N	366.914	4.620	50	20	FJGD	
C=C(CBr)CN(C)[C@H](C)Cc1ccccc1C(F)(F)F	805773246	TXHMDACPFLDCHM-GFCCVEGCSA-N	350.222	4.519	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2csc(-c3ccc(Cl)cc3)c2)cc1	815851925	ZMKJDSKRBJNBLP-UHFFFAOYSA-N	353.834	4.697	50	20	FJGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	815904049	QOXRDVXCZGFGKA-UHFFFAOYSA-N	356.228	4.716	50	20	FJGD	
C=CCC[C@@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	836511679	HDBXLJGNAUTTKR-NSHDSACASA-N	360.348	4.793	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@H]2NCC[C@@H]21	868145236	NFYUGXUXHKHCEF-OLZOCXBDSA-N	371.375	4.702	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccc3ccccc3c2)cc1	899286898	FJJCQKPJAQPINB-HMAPJEAMSA-N	370.452	4.804	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c(C)n1C1CC1	915863974	VTNULTBSGNGCLV-DHDCSXOGSA-N	368.506	4.740	50	20	FJGD	
C[C@@H]1CCC(=O)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	930846115	VSCGZRRNUBOAHQ-SECBINFHSA-N	358.332	4.929	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)c1ccccc1OC(F)F	1116483438	FJPCHJVUMSHMLS-SSZFMOIBSA-N	368.383	4.678	50	20	FJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Cl	33410794	IRZCONFTLRDEBE-XFXZXTDPSA-N	350.727	4.904	50	20	FJGD	
CCCn1c(C)cc(/C=C(C#N)\C(O)=N\c2nnc(C(C)C)s2)c1C	40001064	NJXLNBZHDVCLJJ-DHDCSXOGSA-N	357.483	4.685	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)ccc1OC	179607327	KDUFMAUCRYNCAC-RIYZIHGNSA-N	373.811	4.814	50	20	FJGD	
Cc1cc(SC#N)cc(C)c1NC(=O)[C@@](C)(CC(=O)O)C1CCCCC1	726604337	LFSDPBIWMYEHQU-FQEVSTJZSA-N	374.506	4.876	50	20	FJGD	
CC(=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)C1CCCC1	733076887	XEOPFVIDGFLRTQ-UHFFFAOYSA-N	361.898	4.947	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)Nc1ccc(-c2ccccc2)cc1	743807975	XLRWRGJVHYCSJK-UHFFFAOYSA-N	372.350	4.916	50	20	FJGD	
CCOc1cccc([C@H](C)NC(=O)CCCC[C@@H]2CCSS2)c1	745123307	JADPBXMRESDPFK-WMLDXEAASA-N	353.553	4.977	50	20	FJGD	
CC(C)C[C@H](O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752984048	GVFHOUYMRGFDFR-NSHDSACASA-N	362.364	4.873	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1)C1CCCCC1	755404720	BHOOVZBHGDNKGP-LCYFTJDESA-N	354.347	4.543	50	20	FJGD	
Cn1cnc2cc(/C=C(\C#N)c3nc4cc(Cl)ccc4s3)ccc21	761197236	BNLFDSOIRWFZSN-WUXMJOGZSA-N	350.834	4.901	50	20	FJGD	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H](Br)C(C)(C)C	766982658	PTAGNRZIHKALKG-GWCFXTLKSA-N	369.328	4.625	50	20	FJGD	
N#C/C(=C/c1cc(Br)ccc1F)C(=O)c1cc(F)cc(F)c1	772177354	UTIWXSAFVWCSCG-JYOAFUTRSA-N	366.136	4.656	50	20	FJGD	
CC(C)c1ccc(CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C2CC2)cc1	776603788	NZFLQUJHWKHIAO-MOSHPQCFSA-N	360.457	4.614	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(Oc2ccccn2)c1	781097518	PINDDOIXQNWREZ-OAHLLOKOSA-N	363.255	4.622	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(/C#N)C(=O)C1CCCC1	781554883	AKCWXKGJBQSRLQ-WJDWOHSUSA-N	353.853	4.809	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C12CC3CC(CC(C3)C1)C2	812017759	KWXPVXFBSCOKMG-UHFFFAOYSA-N	355.869	4.548	50	20	FJGD	
C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1(CO)CC1	822460117	GROFSNWEWULGTJ-SECBINFHSA-N	360.348	4.627	50	20	FJGD	
O=P(CCN(C1CCCCC1)C1CC1)(c1ccccc1)c1ccccc1	917102538	OKJGWCPIKNWADT-UHFFFAOYSA-N	367.473	4.798	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(F)c(Cl)c1	917618006	FMUNNNMQIHVYPJ-RAXLEYEMSA-N	373.815	4.608	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H]1CCSc2ccccc21	918184761	OBQKGCGHTWNDQX-ZDUSSCGKSA-N	367.396	4.569	50	20	FJGD	
CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccccc3F)cc2)cc1	89866046	UAHMYWSBHZTMNN-UHFFFAOYSA-N	364.376	4.578	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(CCC(F)(F)F)cc1	152963299	ORXLJJLFSLOTRA-UHFFFAOYSA-N	374.309	4.540	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)Oc1cccc(F)c1	175633547	FCXMJSDSWRRVRW-ZDUSSCGKSA-N	372.465	4.930	50	20	FJGD	
Cc1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)on1	192260448	FPPBWBUNKZNXPK-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccc(F)cc1	194211202	IJNYJGNLVAYAGC-UHFFFAOYSA-N	358.438	4.541	50	20	FJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c2ccccc21	588597280	FCYZUHHGDDPINC-NVNXTCNLSA-N	361.351	4.623	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)CCCC(=O)N2	728552069	SHMOOLWNWWKBAY-HNNXBMFYSA-N	364.536	4.614	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccccc1OCc1ccccc1	728696301	QDOIASVYBOHQHM-ZHACJKMWSA-N	366.848	4.597	50	20	FJGD	
CCC[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccccn1	729612834	JTGXTTQEBOHHOW-HNNXBMFYSA-N	353.253	4.556	50	20	FJGD	
O=C(NNc1ccc(F)cc1)[C@@H](Sc1ccc(F)cc1)c1ccccc1	730208447	KGYHIIMXPWEHMI-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C(C)=O)s1	748667819	RZHANYNZXDEZPK-UHFFFAOYSA-N	358.488	4.901	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC	749454069	YGQSHDQEJNEGPD-VQCBNXJZSA-N	368.408	4.557	50	20	FJGD	
CC1(C)CCCC1=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	749853915	DDEKFOLEAHBQCS-UHFFFAOYSA-N	361.898	4.947	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)c1c[nH]c2cc(F)ccc12	754680175	NAUCMXLKWDKHKI-WZUFQYTHSA-N	374.293	4.837	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761390298	CJKILWMBRDEPMN-TWGQIWQCSA-N	353.230	4.609	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)CCCCCO[C@H]1CCC[C@H](C)C1	767083916	GVBSZEZSMYVUJB-YJBOKZPZSA-N	350.478	4.733	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1nc(C2CCCCC2)cs1	768756346	PJWOZZFFQGGWKA-MHWRWJLKSA-N	368.458	4.547	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)c1ccc(OC(F)F)cc1	776256186	BWTZPTCORYDQNG-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3cnn(C)c3)s2)cc1	800791680	TVNBCLJPBRYXSH-GZTJUZNOSA-N	361.470	4.891	50	20	FJGD	
N#Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1Cl	801142155	CJFCMLFHZPQFGE-CQSZACIVSA-N	354.928	4.542	50	20	FJGD	
O=C(NNc1ncccc1F)Nc1cccc(Sc2ccccc2)c1	806262843	UAQAFYLNQRPRFT-UHFFFAOYSA-N	354.410	4.521	50	20	FJGD	
Cc1nn(C)c(Cl)c1/C=C(\C#N)c1ncc(C(F)(F)F)cc1Cl	812496246	GHWVVYZRXCZINW-FPYGCLRLSA-N	361.154	4.513	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)[C@H](Sc1ccccc1)c1ccccc1	817005179	IHJMTMXUPRCPEK-GOSISDBHSA-N	369.877	4.712	50	20	FJGD	
O=C(NNc1cc(Cl)nc(Cl)c1)c1csc(C2CCCCC2)n1	819746425	BFGNJMFXANQBMT-UHFFFAOYSA-N	371.293	4.650	50	20	FJGD	
NC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841189960	KOYXWQZTOZQVJV-GXFFZTMASA-N	373.391	4.983	50	20	FJGD	
CN(N=Cc1cccc(OCc2ccccc2F)c1)C(=O)OC(C)(C)C	920377959	KCGGTPXZXYPFHR-UHFFFAOYSA-N	358.413	4.606	50	20	FJGD	
O=C(CC1c2ccccc2Oc2ccccc21)NNc1ncccc1Cl	1322883590	YBUIIGIXDJIDKG-UHFFFAOYSA-N	365.820	4.506	50	20	FJGD	
CN(Cc1cccc(S(F)(F)(F)(F)F)c1)c1nc(C(=O)O)co1	1777074848	WYEKJQINIBLDRW-UHFFFAOYSA-N	358.288	4.667	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1OCC	6949282	UVRSPDMFVZMTJY-LDADJPATSA-N	364.445	4.647	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)cc1	20987103	OLPHKIOERYYAAK-BAGCLVRUSA-N	357.457	4.695	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)ccc1O	72301298	ZUSZBTPBYINVEQ-WMZJFQQLSA-N	354.715	4.532	50	20	FJGD	
CCN(CC(C)C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193044286	ZSIZSGUAPKPSFY-UHFFFAOYSA-N	374.375	4.787	50	20	FJGD	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)s1	211665201	UTEVSPZOSOCXSZ-GHXNOFRVSA-N	358.271	4.702	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	215785343	CGKSWLCHRJQNRB-UHFFFAOYSA-N	362.273	4.790	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccccc2)c1C	255928032	DGZQBUPEMIIZGM-QYXYIQQCSA-N	366.461	4.524	50	20	FJGD	
O=C(Cc1coc2cc(F)ccc12)NNc1ccc(Cl)cc1Cl	748017580	CZHWUTRQAZXCOI-UHFFFAOYSA-N	353.180	4.565	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)CCc1cc(Cl)cs1	748731369	JTPSDHJYELLLNO-UHFFFAOYSA-N	373.703	4.548	50	20	FJGD	
CC(C)(C)n1ncc(C(=O)NNc2ccccc2Cl)c1-c1ccccc1	754274112	JFKWRJQOWKEHBX-UHFFFAOYSA-N	368.868	4.715	50	20	FJGD	
CCN1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1C	762977988	IIVXSXTUNPWSNI-LLVKDONJSA-N	373.391	4.902	50	20	FJGD	
Cc1oc2ccccc2c1CC(=O)NNc1cc(C(F)(F)F)ccc1F	768322391	SROLNAVRZKPNBF-UHFFFAOYSA-N	366.314	4.585	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-]	770571491	SEGFSFITBMUUNB-WDZFZDKYSA-N	371.805	4.931	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1C[C@H]1c1cccc2ccccc12	775265143	VDPZTTGZBKPOJP-IRXDYDNUSA-N	371.362	4.500	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(Oc2ccccn2)cc1	775621294	YCUWBYFPMMJHGJ-UHFFFAOYSA-N	371.400	4.571	50	20	FJGD	
CCCN(N=Cc1cc(Cl)c(OCC)c(OC)c1)C(=O)OC(C)(C)C	794997450	RVHXQNHIGXSSIW-UHFFFAOYSA-N	370.877	4.728	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)[C@H]1OCCc2sccc21	816782355	SYIZVKCZHZSEAH-AUUYWEPGSA-N	358.507	4.573	50	20	FJGD	
CCC(=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N)C1CCCC1	834937391	MBHVSRAALGFRHY-UHFFFAOYSA-N	371.506	4.692	50	20	FJGD	
N#C[C@@H](C(=O)CCCC[C@H]1CCSS1)c1nc(C2CC2)cs1	842937678	GCSYRPOGJWWXEM-STQMWFEESA-N	352.550	4.911	50	20	FJGD	
COc1cc(-c2ccccc2)sc1C(=O)NNc1cc(C)cc(C)c1	916978084	FBIAUIGKWDUKAP-UHFFFAOYSA-N	352.459	4.797	50	20	FJGD	
C[C@H](Oc1ccccc1F)c1nnc([C@H](Br)C(C)(C)C)o1	1118138496	UYPMQLFQAYOCLL-CABZTGNLSA-N	357.223	4.831	50	20	FJGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1	1786444851	ZPIDRASNOHDODY-QGZVFWFLSA-N	364.917	4.574	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccnc1	44013973	XFRSRKRHHBUAKZ-DEDYPNTBSA-N	369.424	4.515	50	20	FJGD	
CCOC(=O)C(C)(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186070368	GQKQLODYEZBYNG-UHFFFAOYSA-N	361.332	4.872	50	20	FJGD	
C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	194348475	GQTAWWGUYVAHQB-NXEZZACHSA-N	372.359	4.682	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)cc1	211682311	ZCIFKUQBCQDWRE-PWDRBQJJSA-N	364.445	4.763	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(OC(F)F)cc3)n2)cc1	212179411	HUHDUIKLCYGAPL-GDNBJRDFSA-N	353.328	4.711	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1C	213032349	NIPIQJUTGWKSBK-ATVHPVEESA-N	359.404	4.727	50	20	FJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1	728696476	SIQOSVCHGOBCDJ-WMZJFQQLSA-N	352.608	4.587	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)ccc1OC(F)F)c1ccccc1	731931915	UASQBTYLGWPWSR-HNNXBMFYSA-N	366.795	4.585	50	20	FJGD	
CCOc1cccc([C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)c1	745123305	JADPBXMRESDPFK-RHSMWYFYSA-N	353.553	4.977	50	20	FJGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	753859423	UZLPRIVNQYQFPJ-XYOKQWHBSA-N	366.804	4.628	50	20	FJGD	
C[C@H]1C[C@H](C)N(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777973042	MNIXPXRTBFVZON-UWVGGRQHSA-N	365.389	4.763	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1sccc1Cl	779751128	GCUMDYIDPJLHJQ-POHAHGRESA-N	367.257	4.918	50	20	FJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(F)c(Cl)c1	794875362	QQHHCIAKRMKATI-UKTHLTGXSA-N	369.758	4.594	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(-c2ccnn2C)c1	801647451	KEHOKLZGXYKHRH-CPNJWEJPSA-N	370.456	4.558	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1cc(C(F)(F)F)ccn1	812248324	JXDCPCWBVMBWOG-NVNXTCNLSA-N	352.319	4.622	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(F)ccc1Cl	816073424	ULXHGROZMRBJHC-UHFFFAOYSA-N	371.637	4.561	50	20	FJGD	
CCCc1sc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1CC	857546580	WFTIQXAQJOKTPF-UHFFFAOYSA-N	366.918	4.587	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N2C3CCC2CC3)c(C)n1C1CCCCC1	876661344	CIBSQJFYMHUOEI-QGOAFFKASA-N	351.494	4.671	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(Cl)ccc1Cl	913187588	IEWMUDQZYNZCDR-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
C[C@H](CC[S@](C)=O)NCc1cccc(S(F)(F)(F)(F)F)c1	921831185	VDCTVJKNSQFKAF-SBKAZYGRSA-N	351.406	4.591	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1nc(O)c2c3c(sc2n1)CCCC3	1318719072	QVBPTMREYOJGBE-WJDWOHSUSA-N	373.481	4.829	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CC[C@](F)(C(=O)O)C2)c1	1776269097	JWUWXUGOZWONIX-DNVCBOLYSA-N	367.537	4.506	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(F)(F)F)cc2)cc1	23217592	RWUJCOWYLGOUOU-SDNWHVSQSA-N	360.335	4.650	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3ccoc3C)cs2)c1	72543282	DTOASCWGEBEDCT-ZSOIEALJSA-N	350.399	4.510	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2nc3ccccc3s2)o1	120762494	HAGLGUMRBZQNHJ-UHFFFAOYSA-N	369.833	4.967	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1OCCCC#N	170933416	WCXFVRHPQZZVFQ-LFIBNONCSA-N	366.442	4.538	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccncc2)cc1	182505783	RWWADRNAJSXKLF-DTQAZKPQSA-N	359.360	4.559	50	20	FJGD	
O=S(=O)(N[C@@H]1C=CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	187425155	VQRSHMWDIMERGT-SNVBAGLBSA-N	363.373	4.731	50	20	FJGD	
O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1cccc(S(F)(F)(F)(F)F)c1	189891244	CHZMVDAWEJPKSD-MWLCHTKSSA-N	360.348	4.627	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/C=C\c2ccccc2[N+](=O)[O-])c1C	213424125	BQINJGXZNOPBAP-HJYMNFMOSA-N	361.401	4.545	50	20	FJGD	
O=C(CCc1nc2cc(Cl)ccc2s1)NNc1cccc(Cl)c1	730521015	AZYKXWWWNXFENS-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
O=C(CCc1ccccc1)NN=Cc1ccc(-c2cccs2)cc1F	749740663	PKTDLQLUXHUPTO-UHFFFAOYSA-N	352.434	4.637	50	20	FJGD	
O=C(CC1CCCC1)NNC(=O)c1sc2cc(Cl)ccc2c1Cl	749951353	CZFQIPLKIZWLTH-UHFFFAOYSA-N	371.289	4.549	50	20	FJGD	
CC[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1nc(C)cs1	752952224	LIWGDZBGFPHRGB-LLVKDONJSA-N	359.282	4.536	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2Cl)cc1/C=C(\C#N)c1ccncn1	758914050	GDPXZPXONYPORP-GXDHUFHOSA-N	363.852	4.677	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)C(c1ccccc1)c1ccccc1	777459577	GTNZPLRGCIGMKL-UHFFFAOYSA-N	353.425	4.510	50	20	FJGD	
C=CCCCCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	778083715	YBEWKTULDVWFCI-UHFFFAOYSA-N	365.389	4.979	50	20	FJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)C(=O)Nc1ccccc1F	811685480	TVSMXWRBRWGKSF-FVIOEUFFSA-N	372.346	4.919	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1	811973841	HZGLVSOIXBRJGP-UHFFFAOYSA-N	372.428	4.506	50	20	FJGD	
CCOc1ccc(NNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1	817879837	QKRIHYGLJUFEOS-ZDUSSCGKSA-N	366.383	4.741	50	20	FJGD	
CCOc1ccc(NNC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1	817921064	GTQMVMXXJZMDDY-ACCUITESSA-N	364.367	4.651	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	834447219	JTAFDONJJOAQKC-YCRREMRBSA-N	353.237	4.948	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCC(OC(=O)C[C@H]2CCOC2)CC1	838870691	PJZYAXDWZRMBCZ-AQFXKWCLSA-N	356.579	4.537	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(-c2nncs2)cc1	848022873	HHEYKUUHTIMDCL-AWEZNQCLSA-N	365.549	4.858	50	20	FJGD	
CC(C)(CO)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccs1	855110057	LMIIRFWCKRPLJZ-CJNGLKHVSA-N	373.609	4.638	50	20	FJGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1cc(-c2ccccc2)on1	917543175	HQJFZAFFNNXAEQ-UHFFFAOYSA-N	367.408	4.773	50	20	FJGD	
N#C/C(=C\c1cccc(C2CCCC2)c1)C(=O)Nc1ccc(C(=O)O)cc1	1776130557	QOAMHPGWDHMQDU-CPNJWEJPSA-N	360.413	4.588	50	20	FJGD	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cc(-c2ccccc2)n[nH]1	7007934	DSLXULWQBGXEHD-UHFFFAOYSA-N	358.445	4.520	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	112561895	SIAWMPUJAMSYOQ-ZSOIEALJSA-N	369.323	4.833	50	20	FJGD	
N#C/C(=C/c1ccc(Br)c(Br)c1)c1ccccn1	158190118	VECDWXNQEDCPCT-XFFZJAGNSA-N	364.040	4.671	50	20	FJGD	
CC1(CNC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	183567220	XNOYCUITTHVLHD-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(CSC(F)F)o2)cc1	211508835	PZMDEYALASPCQW-LCYFTJDESA-N	362.401	4.843	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OCc1cccnc1	255631944	NZLRXMQBXXMNCG-WQRHYEAKSA-N	360.438	4.820	50	20	FJGD	
CC[C@H](Cl)c1nc(O)c2c(-c3ccc(OC)c(OC)c3)csc2n1	324750211	QBQZOXTWBWCHOS-NSHDSACASA-N	364.854	4.771	50	20	FJGD	
CCCCC/C(C=NNC(=O)Cc1nc(C)cs1)=C/c1ccccc1	725857119	CKWVMSVKWIMCFA-VMXCHRFBSA-N	355.507	4.760	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1(c2cccc(Cl)c2)CC1	729515783	NKGSUYGTURHTGT-UHFFFAOYSA-N	372.255	4.717	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1	731931379	GMWRNDRJXDKWKC-IBGZPJMESA-N	350.393	4.730	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC1(c2ccccc2)CCOCC1	732779546	VQCPNBKLJGTQBK-KRWDZBQOSA-N	365.564	4.523	50	20	FJGD	
CN1/C(=C/C=C(\C#N)c2nc(-c3ccccc3)no2)C(C)(C)c2ccccc21	733783080	RZTPEHFYNJOFPN-DVAGZOOOSA-N	368.440	4.955	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(OC(F)F)c(Cl)c3)nc12	741474333	XJCZNITUXMSHCR-IZZDOVSWSA-N	360.751	4.585	50	20	FJGD	
C/C(=C\C(=O)NNc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1	742516713	HYYDDLXOYFHWDW-DHZHZOJOSA-N	354.759	4.905	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cnc(-c3cccs3)s2)c1	751514246	XRKZGLSISPHPQB-UKTHLTGXSA-N	352.440	4.670	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1	752812618	IBDFKXOBOOIBMY-DTWKUNHWSA-N	355.187	4.805	50	20	FJGD	
CSCc1c(C(=O)NNc2ccc(C#N)c(Cl)c2)oc2ccccc12	753297027	CLPLMYOZIZNKHF-UHFFFAOYSA-N	371.849	4.578	50	20	FJGD	
CCO[C@H](C)c1ncc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)s1	757421105	CNVIHSQCCWNRGU-LLVKDONJSA-N	372.402	4.521	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1cc(Cl)ccc1Cl	767717324	LKBCJSPYZHLLSW-OQFOIZHKSA-N	371.145	4.956	50	20	FJGD	
N#Cc1ccc(C2=CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)cc1	767983803	SAHHHCIWIBJWOX-LJQANCHMSA-N	372.559	4.888	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3ccc(C)o3)s2)ccc1Cl	790196124	OWXSVOOSKMAXOU-UHFFFAOYSA-N	362.838	4.735	50	20	FJGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC(c2ccccc2)CC1	794784618	FAVZVTGHWFCTOW-UHFFFAOYSA-N	356.853	4.792	50	20	FJGD	
COc1cccc(C(=O)/C(=C\c2cccc(CCl)c2)c2ncc[nH]2)c1	799893525	ROAKINMIDZSINT-WOJGMQOQSA-N	352.821	4.581	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Oc3cnccn3)cc2)cc1C	809145720	DLYKNIJDKJLVAI-XDHOZWIPSA-N	355.397	4.676	50	20	FJGD	
CCCC(C)(C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	821572886	SXGWVISVUNRVNP-UHFFFAOYSA-N	374.375	4.977	50	20	FJGD	
COc1ccc(-c2ccccc2C)cc1/C=C(/C#N)C(=O)C1CCOCC1	840719071	HVDNIASIPUBZDK-ZHZULCJRSA-N	361.441	4.573	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1	901368063	QQMLYCGOWCKCTC-CJLVFECKSA-N	372.468	4.617	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	915853762	VSHPFTLKNLUWQZ-MHWRWJLKSA-N	354.793	4.991	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)Cc1ccc2ccccc2c1	915977246	VXAOQFFPMCBPQR-UHFFFAOYSA-N	356.425	4.841	50	20	FJGD	
O=[N+]([O-])c1cccc(-c2nnc(CCCC[C@@H]3CCSS3)o2)c1	1326067857	IINZUGALCCRSCM-CYBMUJFWSA-N	351.453	4.511	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)s2)cc1	7351850	LJQYJICGJTXXIS-DTQAZKPQSA-N	360.438	4.969	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cn4cc(Cl)ccc4n3)c[nH]c2c1	64360534	UHOYETISDJFDBM-QPEQYQDCSA-N	360.804	4.567	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)c3nnc4n3CCCCC4)s2)cc1	172043592	NEAPEANWBQFVHE-LFIBNONCSA-N	361.474	4.501	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC	211424408	XYQGITXJGUPDPB-VBKFSLOCSA-N	368.408	4.559	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	213520956	HAXYMIDOMABFTN-SSZFMOIBSA-N	360.438	4.969	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255372198	CRQOIYMNOZJCMY-ZHZULCJRSA-N	369.424	4.693	50	20	FJGD	
CCn1ccnc1[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	377224834	VSDCGORPGUTKKH-JKSUJKDBSA-N	367.584	4.671	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ncccc3Cl)c(F)c2)cc1C	734247426	JWKDGZCFPLZBNM-UHFFFAOYSA-N	369.827	4.915	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cccc(OC3CCCC3)c2)cc1	734305163	KNRKKJZAKCUFCS-MOSHPQCFSA-N	360.457	4.540	50	20	FJGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccc(SC(F)F)cc1	734979194	LRXUZDHYKNEPQZ-UHFFFAOYSA-N	371.412	4.704	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1Br	735618773	FXCAPKFRMLCMIC-MDWZMJQESA-N	368.234	4.707	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2ccc(C)s2)c1C	737646902	NYHZGOHMGFPSDD-ONDHQXCVSA-N	369.534	4.539	50	20	FJGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)c1cccc2ccccc12	747765207	XEDZIJXMMGKWGR-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1cccc(OCc2cccc(Cl)c2)c1	748088712	NFVCPWGCBUQUON-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@@H]1CCCC[C@@H]1C	748672385	GFRAWZXRBYJMGR-KBXCAEBGSA-N	360.523	4.918	50	20	FJGD	
CC(C)(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	752515503	CTHLWHUUXASBBF-FOWTUZBSSA-N	350.393	4.600	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(CCC(F)(F)F)CC1CC1	752515780	OZZFLWQWLSGIST-CYBMUJFWSA-N	355.491	4.892	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cncc(-c2ccccc2)c1	758249826	STWGHPFZQMUODJ-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ncccc1C(F)(F)F	765499504	FPDCONVNINCBRG-FLIBITNWSA-N	365.742	4.608	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)COc1cc(C)ccc1C(C)C	788699543	YRWSOKZGXACNFN-UHFFFAOYSA-N	372.896	4.863	50	20	FJGD	
CCCN(N=C(C[C@@H]1CCOC1)c1ccc(F)cc1)C(=O)OC(C)(C)C	793052825	DJKTXGVXNLIEHZ-HNNXBMFYSA-N	364.461	4.604	50	20	FJGD	
C=C(CBr)COC(=O)c1cnc(-c2ccccc2Cl)s1	795484201	WQLSZTNMUACYLN-UHFFFAOYSA-N	372.671	4.571	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cn(C(C)C)nc3C)n2)cc1	798344718	LAWSPIQHFPPENY-SXGWCWSVSA-N	364.474	4.969	50	20	FJGD	
Cc1nc(-c2ccc(C(=O)NNc3ccc(Cl)c(F)c3)cc2)cs1	799707065	IDIULUUUABXHCU-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CSSCCNC(=O)Nc1ccc(N2CCCCCC2)cc1C	806632261	XCNYTJVGHNILNH-UHFFFAOYSA-N	353.557	4.508	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cccc(C(F)(F)F)c1	815850519	PWWSGJOALABQNC-UHFFFAOYSA-N	351.372	4.543	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)[C@@H]1OCCc2sccc21	816782358	SYIZVKCZHZSEAH-LIRRHRJNSA-N	358.507	4.573	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccsc2Br)cc1	828101492	MULRRLZHEHQYCX-UHFFFAOYSA-N	353.285	4.565	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c[nH]c(C(F)(F)F)c1	834400197	AWTPFIVDVPANOM-OVCLIPMQSA-N	361.367	4.704	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1c[nH]c3cc(C)ccc13)O[C@H](C)C2	920067749	AIYSESTWXWLESR-XPGOGFAUSA-N	372.424	4.598	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(OC)c1	101799920	JAZYXTOQINPZMW-ZSOIEALJSA-N	355.356	4.549	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1)c1ccccc1	177610251	NZVJDKWCEMZMBR-QQFZQELXSA-N	365.483	4.656	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1scnc1C1CCCC1	184108196	HPRHQZSBUTYDNL-UHFFFAOYSA-N	373.375	4.716	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1	254927901	OBLZUBGGFNVUCY-WCIBSUBMSA-N	361.257	4.915	50	20	FJGD	
COC(=O)Nc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1C	281378619	GENVAUVBAHYKSW-ZDUSSCGKSA-N	368.524	4.826	50	20	FJGD	
Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H](Br)C(C)(C)C	767934828	QUCCWIQOFIHEIC-INIZCTEOSA-N	361.283	4.805	50	20	FJGD	
Cc1coc(-c2ccc(C)c(NC(=O)[C@@H](Br)C(C)(C)C)c2)n1	768256059	YNZRRTYLLANZPF-CQSZACIVSA-N	365.271	4.707	50	20	FJGD	
C[C@H](NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCC1	773437577	IMJOUVINGIWPOI-VIFPVBQESA-N	372.359	4.587	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ncc(Cl)cc3Cl)s2)o1	775273569	LHOJYGBAJRRGLV-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1)C1CCCCC1	781549091	MSDOUDGXTYRWEA-KAMYIIQDSA-N	350.434	4.699	50	20	FJGD	
CCC(CC)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973997	MQJXGIVFVNMESF-UHFFFAOYSA-N	353.378	4.811	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2ccccc2C(F)(F)F)o1	789821189	POMAPDQOJHJRTB-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc2ncccc2c1	794885615	UJSUXOXTEBHCBQ-DHDCSXOGSA-N	363.760	4.586	50	20	FJGD	
CC(C)(CC(=O)NNc1ccc(Cl)c(F)c1)CC(=O)c1ccccc1	799706957	CNPBTMCEAJJNIV-UHFFFAOYSA-N	362.832	4.612	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)c1nc(-c2ccc(C#N)cc2)cs1	811688302	NHIJDJZWFHZFKT-LZYBPNLTSA-N	356.385	4.757	50	20	FJGD	
COC(=O)C12CC(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)(C1)C2	843575482	PGTMXMIIPJTVAS-UHFFFAOYSA-N	371.327	4.626	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(C)cc1	916998077	IMRLAFCSMDCRML-UHFFFAOYSA-N	352.459	4.879	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cc2c(s1)CCCC2	918098729	MDRDKUMCTHMXSG-CQSZACIVSA-N	355.594	4.957	50	20	FJGD	
Cc1ccccc1NNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1332783269	KPYAZJCFCKBSQL-UHFFFAOYSA-N	353.853	4.813	50	20	FJGD	
O=S(=O)(NC/C=C/C1CC1)c1ccc(S(F)(F)(F)(F)F)cc1	1347644209	WQGLZSBVFQRTBE-OWOJBTEDSA-N	363.373	4.589	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cs2)cc1	7159258	IOKMAMMHKQUDBO-KPKJPENVSA-N	361.264	4.619	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc(Cl)c1OC	8202734	QGGDDHHEEMQGNX-RIYZIHGNSA-N	359.784	4.676	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)OCCCO2	23184439	VMHSXVKNTIJFOM-CQSZACIVSA-N	353.509	4.501	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2sccc2C)cc1OC	44028384	UIXUOHGDBGGTQZ-QPEQYQDCSA-N	361.850	4.907	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2cc(C)n(C3CCCCC3)c2C)c1	156085739	XHPQIAUUAFDDOT-UHFFFAOYSA-N	359.445	4.515	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1OC	180571819	IHKCZYIWARKHPV-NTEUORMPSA-N	358.781	4.638	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)C(=O)Nc1ccccc1F	209224779	PQEMOWLEWZIZAE-XFXZXTDPSA-N	366.339	4.983	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)on3)c2C)c(C)c1	211486261	QQOHNCZASSDUSM-ODLFYWEKSA-N	374.444	4.553	50	20	FJGD	
CC1(C)CN(C(=O)CCCC[C@@H]2CCSS2)[C@@H]1c1ccncc1	293963432	PWDSJMRQBKAFTG-NVXWUHKLSA-N	350.553	4.705	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1sccc1-c1ccccc1	734247130	VMPOYWNGELGAOV-UHFFFAOYSA-N	351.456	4.782	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2[N+](=O)[O-])c1C	739426840	WHSPYDSNAXEMHM-DHDCSXOGSA-N	371.824	4.866	50	20	FJGD	
CC(=NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1nccs1	750936460	AUBJUHSMPHLHGJ-UHFFFAOYSA-N	363.657	4.649	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1C[C@H]1c1cccc(F)c1F	752813050	OYOFBEARESDDPD-QWRGUYRKSA-N	357.187	4.518	50	20	FJGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2c(Cl)cccc2Cl)c1	763617844	UFGDLGRAOBIRKC-UHFFFAOYSA-N	364.276	4.659	50	20	FJGD	
CCCCn1ccnc1-c1cccc(NC(=O)NNc2ccc(F)cc2)c1	770069433	KSJVHAFEAWBTAY-UHFFFAOYSA-N	367.428	4.638	50	20	FJGD	
COC[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	787656585	BPJFWLVNNCTNNO-HOTGVXAUSA-N	373.971	4.858	50	20	FJGD	
COc1cc(NNC(=O)c2cc3cccc(Cl)c3o2)ccc1Cl	790176234	NNEOHLDHPJEBSV-UHFFFAOYSA-N	351.189	4.505	50	20	FJGD	
CCOC(=O)[C@@H]1C/C(=C\c2cccc(CCl)c2)C(=O)c2ccccc21	802710572	ZNTIEFFIEWZGBX-KZIRBZLESA-N	354.833	4.742	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c(C)c1OC	806571027	CGLMIGPVOAUYQY-YBEGLDIGSA-N	363.442	4.595	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812243884	BRNDPFNFFGKSRR-WNEGCBGQSA-N	357.316	4.602	50	20	FJGD	
Oc1nc(CCCl)nc2scc(-c3ccc(Br)cc3)c12	824082869	NSQXUXGEOXSGMZ-UHFFFAOYSA-N	369.671	4.608	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2cc(C)sc2C)c1C	914732981	QMGBFLNEIMQXPE-VUQQOUJSSA-N	369.534	4.978	50	20	FJGD	
C[C@@H]1CCCC[C@@H]1N(C)CCP(=O)(c1ccccc1)c1ccccc1	917096797	ADBMDKWEAFLUFR-KNQAVFIVSA-N	355.462	4.511	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1F	921138706	ZJYUUQRJMGSZPU-QCDXTXTGSA-N	350.176	4.931	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3cccs3)s2)cc1Cl	1254628935	DNNPBTUYIPFZSC-UHFFFAOYSA-N	359.863	4.759	50	20	FJGD	
O=C(CCl)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1	1319674076	DUUNCYLKHMPNCS-UHFFFAOYSA-N	365.191	4.997	50	20	FJGD	
C[C@@H]1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@](=O)C1	1335000414	GDUZVMGLIOQENF-FIKIJFGZSA-N	363.417	4.544	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)C(=O)c1ccccc1F	8202189	UMFWBUCDFHJHEU-RVDMUPIBSA-N	363.367	4.557	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1	121726179	VZELTWYMGQOYEA-NTMALXAHSA-N	366.414	4.617	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)C(=O)c2ccsc2)c1Cl	172213752	RPBWBEOPPBBZAZ-NTEUORMPSA-N	353.834	4.592	50	20	FJGD	
C=C(C)CN(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	181542920	WZYNPXKEAKWJAV-LBPRGKRZSA-N	352.809	4.946	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3ccc(F)cc3)cs2)c1	255146010	MNOBGUNMYAWKAT-DHDCSXOGSA-N	364.401	4.748	50	20	FJGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1	255919568	OXHRJXBHYTUPEN-JLHYYAGUSA-N	357.196	4.686	50	20	FJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1	734980362	IKDHOIUYQHNQDG-NVNXTCNLSA-N	364.342	4.905	50	20	FJGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)c2ccc(C)cc2O)cc1	741461595	LTXCCMMZENKOEC-UHFFFAOYSA-N	374.440	4.530	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2C)sc1C	741474859	SJXRGIFMJVJYKD-DHDCSXOGSA-N	352.438	4.766	50	20	FJGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1cccc(C(F)(F)F)c1	743299710	JHIPSSFNWWUYDR-GFCCVEGCSA-N	354.347	4.557	50	20	FJGD	
O=C(NN=Cc1cc(Cl)ccc1Br)c1cccc(Cl)c1	743426860	XLZOEXNVOAHEIK-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
O=C(CCCc1cc(Cl)sc1Cl)NNc1cccnc1Cl	755839101	XMSYYEDZYWRDMH-UHFFFAOYSA-N	364.685	4.569	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761390294	CJKILWMBRDEPMN-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762973672	FZCLPIXYQRTFKT-UHFFFAOYSA-N	361.336	4.543	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F)C1CCCCC1	771838363	PEGQCEIMABYXQS-LCYFTJDESA-N	354.347	4.543	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(Cl)c1	773148890	FIEUVERSDDVKGA-WDZFZDKYSA-N	350.176	4.931	50	20	FJGD	
N#C/C(=C\c1cc(C(=O)O)cs1)C(=O)c1cc(Cl)cc(Cl)c1	782201639	WPGSNXJGPBBNNI-YCRREMRBSA-N	352.198	4.543	50	20	FJGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1nc2ccccc2n1C(F)F	785350156	FQUQCOOLTVVSET-WDGDVPDHSA-N	367.355	4.643	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(F)cc2)cc1)c1ccccc1	788493075	VWLRBDUHCZOQKG-HNNXBMFYSA-N	350.393	4.723	50	20	FJGD	
COc1cc(NNC(=O)[C@@H](C)Sc2ccccc2Cl)ccc1Cl	790188815	LHWHONURRZLNGN-SNVBAGLBSA-N	371.289	4.626	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1ccc(F)cc1Br	917549730	AWRQMUBIGUFNAH-RYUDHWBXSA-N	367.262	4.664	50	20	FJGD	
CC(C)n1ncc2c1[C@@H](NC(=O)CCCC[C@@H]1CCSS1)CCC2	1321183313	BZIPWWLMJWPBFV-CVEARBPZSA-N	367.584	4.672	50	20	FJGD	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1C	10404807	SNGUDMYOPBVAGW-VEJKBTLKSA-N	371.868	4.511	50	20	FJGD	
CN(CCOc1cccc(Cl)c1)C(=O)CCCC[C@H]1CCSS1	302847339	QYRZYLZSDIMPRU-INIZCTEOSA-N	373.971	4.891	50	20	FJGD	
C/C=C\C[C@@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	588589295	WLJHZNSSXANDQZ-QUCGXOGASA-N	360.348	4.793	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC[C@@H]2CCC(C)C)ccc1OC(C)C	727256086	HDLFOHKNGRZXKO-MRXNPFEDSA-N	360.498	4.805	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1F	727653990	DQYUJUBPDITBGQ-QPEQYQDCSA-N	367.811	4.816	50	20	FJGD	
O=C(NN=Cc1ccc2ccccc2c1)c1cc(F)ccc1Br	728435635	CAEIMHFQTYLBEM-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC(OCC2CCCCC2)CC1	750051148	OKCYKUBCBHALPT-NKVSQWTQSA-N	369.465	4.521	50	20	FJGD	
CN(Cc1csc(Br)c1)/C(=C\C#N)c1ccc(F)cc1	750606792	JOKAPSFRFYEHGP-NSIKDUERSA-N	351.244	4.646	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)c(Br)c1	753684009	YQKISXIBYZMYQK-UVTDQMKNSA-N	352.235	4.708	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Cl)oc3ccccc23)cc1	761202889	YTXHLAPRYFMFRL-GXDHUFHOSA-N	357.818	4.733	50	20	FJGD	
O=C(NN=C1CCC(C2CCCCC2)CC1)c1nnc(-c2ccccc2)o1	766450546	NWFSFYUCZHMOHZ-UHFFFAOYSA-N	366.465	4.593	50	20	FJGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc2ccccc2n1	777468363	YERCUDXPLWTHQZ-CYBMUJFWSA-N	373.378	4.576	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1	780844118	RWXAJPWDRSAHBD-IBGZPJMESA-N	350.466	4.655	50	20	FJGD	
Cc1cc(C)nc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)c1	786741041	JQTZCZDCAJAYJP-ZDKYXOAUSA-N	367.499	4.701	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1	794873008	ATNZUEQAKSBWPS-MJSCBBHESA-N	361.869	4.810	50	20	FJGD	
COC(=O)N(C)N=C(C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	794959855	WCXVXSRXKNRUBP-UHFFFAOYSA-N	356.369	4.856	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c(-c2ccc(C#N)cc2)n1	797399790	WFVDVBHCMROEOF-SXGWCWSVSA-N	373.485	4.777	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(-c2cnn(C)c2)c1	801648307	PVPIADPUCHESDX-RIYZIHGNSA-N	367.861	4.900	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(C)(C)C)c(Cl)c2)c1	810528842	XTTPTEZRNAWDQK-UHFFFAOYSA-N	350.821	4.542	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCC[C@@H]2CCCCC2=O)c1C	813960229	LWTXCBACSIOLSF-OFBHVFLISA-N	370.493	4.505	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837531226	DTNVJWSHKOYXLN-AXTRIDKLSA-N	355.328	4.898	50	20	FJGD	
COC[C@H](C)Oc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	853008721	XPPPCLHCJXWCIJ-NCPSJORJSA-N	362.351	4.578	50	20	FJGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNc2cc(C(F)(F)F)ccn2)c1	857514022	OTBLCZSDFMFVDG-CYBMUJFWSA-N	365.399	4.546	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@]12CCNC2	904412836	ZZFMFZAUPFSECZ-AWEZNQCLSA-N	371.375	4.704	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCC1(c2ccc(F)cc2)CC1	915734055	BGHAQSQFUBSLRZ-MRXNPFEDSA-N	353.528	4.688	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNCc2occc2C(=O)O)c1	1776269116	OSIOOLPTJPBALU-UHFFFAOYSA-N	361.514	4.652	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1OC(C)C	7159198	QIWRDXMFKNLFQG-RVDMUPIBSA-N	370.836	4.681	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OC(F)(F)F)cc1	73116139	DOQQCZUXPCETGP-XNTDXEJSSA-N	360.335	4.748	50	20	FJGD	
CC(C)(C)n1nc(C(=O)NNc2c(Cl)cccc2Cl)cc1C1CC1	133339283	BECZRLPHJZTDQA-UHFFFAOYSA-N	367.280	4.579	50	20	FJGD	
O=C(NNc1cccc2cnccc12)Nc1ncc(-c2ccccc2)s1	171442375	ZXKOGKLZKIVWCJ-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
CC(C)(C)[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734657563	IXXFXLNWHCJDAU-INIZCTEOSA-N	351.372	4.517	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)c2ccncc2)c(C)n1CCC(C)C	735967606	HAHOKINLIGQBNG-KOMLCTQHSA-N	365.477	4.757	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1C(F)(F)F	746698988	SRVKONZNLBODBK-SECBINFHSA-N	360.738	4.745	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1	750687636	XITXUOJHOQDEAB-CABZTGNLSA-N	352.809	4.780	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Cl)c(Br)c1	775629359	DRUWKTSFEPTRFJ-IZZDOVSWSA-N	350.599	4.794	50	20	FJGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc2ccccc2n1	777463138	DBRFIGNGHQLUHQ-UGEDRFTOSA-N	361.445	4.569	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Br)c3cc(C)oc23)cc1	785871283	BQEIQUMFXLBFGT-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)cn2c1	789127458	KKWYICPSLSWEQF-KPKJPENVSA-N	356.212	4.739	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)c3cnc4ccccc4n3)cs2)cc1	790227377	GXGHBSQVIWSYGO-XNTDXEJSSA-N	370.437	4.826	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C/c1nc2ccccc2s1	794955102	PZPDIDKXURVXJO-VAWYXSNFSA-N	351.475	4.885	50	20	FJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)c1ccc2ncccc2c1	794965355	RAYVPNDJRNJUEZ-LDADJPATSA-N	351.365	4.680	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1	808779734	ZMWDZRQLFVXVOJ-MMWCCMKASA-N	374.362	4.523	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)c1ccc([N+](=O)[O-])c(OC)c1	814190332	QZVIUIHSVJUJMP-BIWDTAPOSA-N	364.401	4.760	50	20	FJGD	
CCOc1ccc(NNC(=O)c2sccc2-c2ccc(C)cc2)cc1	817882682	XXDFATYPUUVRGD-UHFFFAOYSA-N	352.459	4.879	50	20	FJGD	
CCOc1ccc(NNC(=O)CCCc2csc3ccccc23)cc1	817911389	QENJSCWRIPESEY-UHFFFAOYSA-N	354.475	4.766	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1OC2	865975245	BFRFIHHKLKLJEV-UHFFFAOYSA-N	356.834	4.718	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCCCCC#N)c1C	914597875	LBQTXLOLIXULPB-XSFVSMFZSA-N	361.445	4.547	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1(Sc2ccccc2)CC1	1341091973	VOACMHRIIFLETI-UHFFFAOYSA-N	370.371	4.613	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1C	11294397	YCCUEZHCHXEKEI-GXDHUFHOSA-N	360.335	4.568	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)c1	109427767	KJUOJVBUXRHCNC-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	114885659	SNBVLTXROZDULZ-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCCBr)c(Cl)c1	121713723	JURGXIGNESCLPZ-XYOKQWHBSA-N	370.674	4.636	50	20	FJGD	
COCc1cccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	174060917	DVKGHMXHLKRMHD-VXLYETTFSA-N	357.438	4.892	50	20	FJGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)Nc1c(Cl)cccc1Cl	175318384	CQMDSGKNYUVTOH-RUDMXATFSA-N	369.154	4.523	50	20	FJGD	
Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(Cl)cc1Cl	178876662	IEIIHQYMGZMODE-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CC(C)C[C@@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184406880	WSPCASSJQDDNBG-NSHDSACASA-N	362.364	4.873	50	20	FJGD	
O=C(NO[C@@H]1CCCCO1)Nc1cccc(S(F)(F)(F)(F)F)c1	185565432	ZHOYDMLOVPHHDX-LLVKDONJSA-N	362.320	4.924	50	20	FJGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cc(Cl)sc1Cl	744742198	DLGTXFZXQLFMNH-UHFFFAOYSA-N	366.273	4.619	50	20	FJGD	
O=C(CCCc1ccc(Br)s1)NNc1ccc(Cl)cc1	746022675	PCAMDRGQBZFJCS-UHFFFAOYSA-N	373.703	4.630	50	20	FJGD	
CC(C)(C(=O)NNc1cccc(Br)c1)c1ccc(Cl)cc1	748019835	LOOHBGUOGZFJFZ-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1	748115115	XNAZXGOGCRMAHH-UHFFFAOYSA-N	362.241	4.837	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)n([C@H](C)CC)n2)c1C	775875315	LMWLFGADNBOUAB-VCRXTVNUSA-N	367.497	4.537	50	20	FJGD	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	787409167	BGJXPERYOVLQJL-ZGRIDLSWSA-N	368.864	4.603	50	20	FJGD	
CCCOc1cc(OC)ccc1C(=O)NNc1ccc(C(C)(C)C)cc1	789845576	JEYRWJIGYMIZCS-UHFFFAOYSA-N	356.466	4.538	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794965519	VLCLZXYDTDIKEF-BIWDTAPOSA-N	369.380	4.879	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ncc(C2CCOCC2)s1	836727313	OEAHFXVHQRZHIV-UHFFFAOYSA-N	374.510	4.618	50	20	FJGD	
Cc1nccn1CCCCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345785	ZPDYVXXJMDPMHU-UHFFFAOYSA-N	365.638	4.706	50	20	FJGD	
CN(N=Cc1ccc(-c2nc3ccccc3s2)o1)C(=O)OC(C)(C)C	920380603	BYYNNSWEMSACEN-UHFFFAOYSA-N	357.435	4.757	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCC#N)c3)n2)cc1	920398204	HNPBPSNAUBMDFO-GZTJUZNOSA-N	373.437	4.785	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCc2ncoc2C(C)C)c(C)n1CC(C)C	1341617257	BSOSAYPGHNYRMX-QGMBQPNBSA-N	369.465	4.523	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	152728199	DZYSJFBDBHSXAM-UHFFFAOYSA-N	364.408	4.530	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(-c3ccccn3)c2)c(C)c1	158304915	APJCLDSLVXHVKO-XSFVSMFZSA-N	353.425	4.911	50	20	FJGD	
Cc1c(C(=O)NNc2ccc3ccccc3n2)sc2ccc(F)cc12	181131159	KSUNJFCZUCCZMN-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OC	211488642	CGVOVUQFRCTQTN-DHDCSXOGSA-N	370.836	4.601	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc([N+](=O)[O-])s3)n2)cc1	588421031	BYWSFCRCANENTD-WQLSENKSSA-N	369.427	4.853	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(Br)cc1	730293897	SPBDZGZYKKFCOA-AWEZNQCLSA-N	374.369	4.779	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1cccc([N+](=O)[O-])c1C	748683298	SEBXIKLKKWPYPW-UHFFFAOYSA-N	371.462	4.718	50	20	FJGD	
CC1(C)C(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@@H]1c1ccccc1	768484299	YEXNEIGRUFUTOH-QGZVFWFLSA-N	359.429	4.641	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773152208	RGWIVYWKMQAJOO-WZUFQYTHSA-N	355.237	4.913	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	776725335	JRYSGSBGJJLHIT-XFFZJAGNSA-N	372.209	4.963	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(OC2CCCC2)cc1	777482154	BTHNLLFAXDQHBZ-UHFFFAOYSA-N	361.445	4.622	50	20	FJGD	
C[C@H](CNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	782980685	XGKWONYPVTYJMJ-SECBINFHSA-N	365.389	4.668	50	20	FJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)NCc1ccc(F)cc1F	786049063	FEFHEUKVDZHKFQ-GHXNOFRVSA-N	372.758	4.588	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)c1cc(C(F)(F)F)ccn1	812246600	PHKMHSPNACSLKH-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1csc(-c2cccs2)n1	812766283	LVHISSUGWATKCU-UHFFFAOYSA-N	371.531	4.989	50	20	FJGD	
CCOc1ccc(NNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)cc1	817889426	FKZIJWHIEIWRBC-CYBMUJFWSA-N	366.383	4.741	50	20	FJGD	
C[C@H]1C[C@@H](CN)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179740	RNCYOVXOFBLFAK-UWVGGRQHSA-N	359.364	4.545	50	20	FJGD	
N#C/C(=C\c1cc(OC(F)F)ccc1Br)c1ccccn1	864969325	MPEPVNPLIBNDHB-YRNVUSSQSA-N	351.150	4.510	50	20	FJGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)C(=O)C(C)C	915990241	KGWJAPWTBHZUBQ-ZSOIEALJSA-N	362.260	4.679	50	20	FJGD	
CN(N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)OC(C)(C)C	920378398	UZGKORMHNLCMQG-UHFFFAOYSA-N	361.423	4.524	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2C)c1C	7749503	UVDJKOKEYLYTGW-LDADJPATSA-N	353.441	4.898	50	20	FJGD	
CC(=O)Nc1ccc(Cl)c(NC(=O)CCCC[C@H]2CCSS2)c1	119788940	JPQFDRJWPVPUGI-ZDUSSCGKSA-N	372.943	4.951	50	20	FJGD	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1ccccc1Cl	120796708	NKKNGGXHTTTYHS-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Cc1c(C(=O)NNc2cc(F)c(F)c(F)c2)oc2ccc(Cl)cc12	175494130	ZHDKVNYJGCOOGK-UHFFFAOYSA-N	354.715	4.569	50	20	FJGD	
Cc1cc(C(=O)NNc2cccnc2Cl)c(C)n1[C@H](C)c1ccccc1	176241482	LPXYCMOJMBOFIM-CQSZACIVSA-N	368.868	4.520	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c(C2CCCCC2)n1	194536769	VUTNPYLFDPEWCU-VIZOYTHASA-N	355.388	4.536	50	20	FJGD	
CCc1cccc2c(C=NNC(=O)c3c(Cl)cccc3Cl)c[nH]c12	727781084	DESCHGHARBGBLR-UHFFFAOYSA-N	360.244	4.801	50	20	FJGD	
CCCC1CCC(=NNC(=O)c2cc(F)ccc2Br)CC1	728436256	OJNVJSGFZKUKLB-UHFFFAOYSA-N	355.251	4.664	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)c1	734729059	LIVYCZKEQVAXEG-ATTDUZETSA-N	373.355	4.508	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1cc2c(Cl)c(Cl)ccc2[nH]1	735692210	KPRBSDGZICPSKI-UHFFFAOYSA-N	356.159	4.510	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1cc2ccccc2o1	741770138	BIFCATZOOCNQDB-UHFFFAOYSA-N	359.332	4.580	50	20	FJGD	
CCO[C@@H]1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)C12CCCC2	742918059	KKIVKTGDFHJDNF-ARFHVFGLSA-N	357.585	4.555	50	20	FJGD	
CC(/C=C(/C#N)C(=O)Nc1nc(-c2ccncc2)cs1)=C\c1ccccc1	744857198	IJCNKHZTYJCYQP-YGPCBGHTSA-N	372.453	4.697	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc(Br)c2)s1	748021748	JQZBGGUZEVOBBR-UHFFFAOYSA-N	353.285	4.565	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	748044380	LJKWJPXQDAQYIG-UHFFFAOYSA-N	362.241	4.837	50	20	FJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1ccccc1Br	750912641	HCUZABIARSTGBM-MHMBTURYSA-N	367.246	4.941	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C#N)c(C)n1-c1cccc2ccccc12	763407236	VIWYMSHSNNKYHP-DEFALTHMSA-N	369.424	4.610	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	764412697	UCCCWVOOCQNMOH-KPKJPENVSA-N	368.380	4.527	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1Br	767877569	HGBPLLLGEVUYSD-ZROIWOOFSA-N	352.235	4.708	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)n([C@@H](C)CC)n2)c1C	775875312	LMWLFGADNBOUAB-BXUJETTOSA-N	367.497	4.537	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1c(Cl)ccc2cccnc12)c1ccccc1	781126242	CZZRBGXMZOBPNI-MRXNPFEDSA-N	351.837	4.532	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(c2cccc(Cl)c2)CCCC1	787447134	QRTXOIOITWTKDW-VBKFSLOCSA-N	366.848	4.538	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2cccc(F)c2)c(OC2CCCC2)c1	790803900	BTRRQTALWIFXRL-UHFFFAOYSA-N	372.440	4.693	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccccc3OC(F)(F)F)csc2c1	795273513	CGHVXCZVBKSSLP-UHFFFAOYSA-N	366.364	4.865	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1O	797399269	QQUMWLDEIHIGRZ-OQLLNIDSSA-N	354.475	4.947	50	20	FJGD	
Cc1ccc(-c2csc(C(=O)N3CC=C(C#N)CC3)c2-n2cccc2)cc1	810816517	MVUGFALFBTUGMX-UHFFFAOYSA-N	373.481	4.810	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(F)cc2F)c(C)n1CC(F)(F)F	915862178	HNLIRWSJURWHFE-AWNIVKPZSA-N	368.305	4.735	50	20	FJGD	
Cc1cc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(C)o1	1318032820	QYUYRRNTOCODRZ-OVEPSTSESA-N	367.493	4.755	50	20	FJGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3cc(Cl)ccc3Cl)c2c1	1324282475	TUKLFGRDPORROI-UHFFFAOYSA-N	364.232	4.549	50	20	FJGD	
O=C(NNc1ccccc1Br)c1ccc(-c2ccccc2)s1	1340925229	OABJMYMYMRFHNK-UHFFFAOYSA-N	373.275	4.935	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cccs3)n2)cc1	6284460	MJNKYPPASBRZPF-XNTDXEJSSA-N	365.483	4.980	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	119112800	XMLNHHQYYJCUOR-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3cccnc3Cl)sc2C)cc1	128459501	XNOONHNPIAQTKI-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1cccc2cnccc12	178480101	WETQUTKUFIIZID-MRXNPFEDSA-N	362.477	4.757	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cccc(-c2ccoc2)c1	190170376	BPQVCMDMMHLXEI-UHFFFAOYSA-N	362.307	4.602	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2C)c1C	727093863	VZOAAXKCUXJUHP-CPNJWEJPSA-N	365.477	4.768	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1Br)C(=O)c1ccsc1	742432438	ANVDWYLOEOYURC-VZUCSPMQSA-N	352.640	4.954	50	20	FJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3cc(C)ccc3C)s2)cc1	747543326	CXRWAQXKXRWHPL-UHFFFAOYSA-N	367.474	4.501	50	20	FJGD	
C[C@@H](C(=O)NNc1cccc(Br)c1)c1ccc2ccccc2c1	748029967	FCNJMKADASGLPI-CYBMUJFWSA-N	369.262	4.849	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@@H]1CCC[C@@H](C)C1	748672427	GMVMQRBSAUUWAT-RHSMWYFYSA-N	360.523	4.918	50	20	FJGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCCC3(C)C)cc12	749853644	RLUMYRVZHSIUBG-UHFFFAOYSA-N	366.490	4.691	50	20	FJGD	
CC1(C)CCCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	757559955	BLMDGZKJJXEJRQ-UHFFFAOYSA-N	372.472	4.983	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(C)n1C(C)C	768010481	FMMGPKQOGGKZGN-UHFFFAOYSA-N	358.244	4.889	50	20	FJGD	
CCc1nn(C)cc1/C=C(/C#N)c1nc2cc(C(F)(F)F)ccc2s1	770571562	SYTCTHFFHXRINB-POHAHGRESA-N	362.380	4.675	50	20	FJGD	
C[C@@H](CBr)CN1CCc2sccc2[C@H]1c1cccs1	770643987	IUUWLEPVJWKGSH-NHYWBVRUSA-N	356.354	4.788	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C)CCC(F)(F)CC2)c1C	784139079	VHHZFGCRAKHZDV-ATVHPVEESA-N	363.452	4.506	50	20	FJGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2cccc3cnccc23)c1	790000042	AHWUUFOMVMXXGU-INIZCTEOSA-N	363.461	4.661	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])csc2c1	794957839	IBRUXTANCDBDSO-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)s1	800791649	SIPLBCOBRKZGAC-ZROIWOOFSA-N	372.453	4.728	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(C(F)(F)F)s1	806356813	APXYIGSDXNONFP-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
C[C@@H]1CN(c2ccc(NCc3ccc(OCCCCl)cc3)cc2)CCO1	811471233	KZGQJSNHEGYXLI-QGZVFWFLSA-N	374.912	4.532	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246240	GZLNPLFGRMRSEW-GXDHUFHOSA-N	354.335	4.659	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)c1cc(C(F)(F)F)ccn1	812247129	ZLMFNLMTESUNRK-YRNVUSSQSA-N	358.298	4.694	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1cc(C(F)(F)F)ccn1	812248235	HQQWOPWVVLTYCO-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
CC(C)Oc1cccc(CNC(=O)CCCC[C@H]2CCSS2)c1	918104573	RZQDSHXEWBJJRN-KRWDZBQOSA-N	353.553	4.804	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)NNc2ccccc2C(F)(F)F)n1	920928959	RBUFQGWIXFTNKM-UHFFFAOYSA-N	358.389	4.608	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)s1	1317941324	XYNYDKVPWLCMQC-UHFFFAOYSA-N	373.821	4.734	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cn(C)nc1-c1cc2ccccc2o1	1318003818	ZVYSDYYUTPZCAO-GZTJUZNOSA-N	367.408	4.932	50	20	FJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(-c2ccccc2)s1	1326327082	KMEHDIMBYWKIKF-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)c3ccsc3)cs2)cc1	63278642	IEGCOLAPZQNMFF-OVCLIPMQSA-N	366.467	4.882	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnc4ccc(C)cn34)n2)cc1	151413334	FDKDVVQDVXTVJA-CXUHLZMHSA-N	372.453	4.839	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccccc1Br	161071352	YSSHVRMJAVYJSR-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
Cc1sc2nc([C@H](C)Br)[nH]c(=O)c2c1-c1ccc(F)cc1	184759304	QEYGBNLRJAJEFL-ZETCQYMHSA-N	367.243	4.555	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c(C2CCCCC2)n1	588597709	VUTNPYLFDPEWCU-CHHVJCJISA-N	355.388	4.536	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	726117659	BCIBFGNXQZCGLJ-KPKJPENVSA-N	372.209	4.963	50	20	FJGD	
O=C(NN=C/C=C\c1ccccc1)c1ccc(Br)cc1Cl	728782125	FXSQGBXCTNJIRL-WJFQHQKPSA-N	363.642	4.532	50	20	FJGD	
CCOc1ccc([C@H](NC(=O)NNc2ccccc2)C(C)C)cc1OCC	734267190	YGVKZKZJZWFWIH-HXUWFJFHSA-N	371.481	4.507	50	20	FJGD	
CC[C@H](C)[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	735035261	NQUWPAMMRWXBCS-SJCJKPOMSA-N	361.829	4.521	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735616895	MABSXZCJMOCQNZ-ATVHPVEESA-N	353.429	4.738	50	20	FJGD	
COc1ccc(Br)cc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735617204	UPJJEHKUFAVWNI-JYRVWZFOSA-N	368.234	4.707	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1C[C@@H]1c1cccc2ccccc12	746702209	QMWICUFEKNTXOY-CVEARBPZSA-N	356.347	4.504	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1	747580059	ONHRYOCLWVQFHY-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
CN(N=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(=O)OC(C)(C)C	752163789	DKSQAJICGYVVLK-UHFFFAOYSA-N	371.393	4.588	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cc(Cl)ccc1F	753174926	HCBNCFHZYLSSLM-UHFFFAOYSA-N	371.637	4.561	50	20	FJGD	
CC(C)Oc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767395422	DYFMXFDJENIOBL-UHFFFAOYSA-N	357.212	4.677	50	20	FJGD	
O=C(NNc1ccccc1Cl)Nc1ccc(CCC(F)(F)F)cc1	770063256	ZXOBWWMTUWSDQP-UHFFFAOYSA-N	357.763	4.984	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)Nc1c(Cl)cccc1Cl	772807216	QGGJNQBFJDGAQH-GHXNOFRVSA-N	360.175	4.550	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccccc2SC(F)F)ccc1Cl	788554278	VUNBRFOTNNPARB-UHFFFAOYSA-N	373.812	4.812	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(OCc2ccc(C)cc2)cc1	792635516	JJUCUGDUUNSYPE-STZFKDTASA-N	369.486	4.653	50	20	FJGD	
O=C(/C=C/c1cccc(CCl)c1)c1nc(Br)ccc1F	799894115	NZLZKSVEHVSGGP-GQCTYLIASA-N	354.606	4.618	50	20	FJGD	
Cc1c(C(=O)NNc2cccc(C(F)(F)F)n2)sc2cc(F)ccc12	806903653	MGPYQIWLXIZQRL-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
C[C@H](N)C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	841180021	WGJOTJZGJGZXIA-JTQLQIEISA-N	373.391	4.935	50	20	FJGD	
CC(C)C(C)(C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	846074705	GIAHPBZVYKYYTD-UHFFFAOYSA-N	374.375	4.833	50	20	FJGD	
CC(C)(C)C(=O)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl	915966794	SDFFKNXSTZSURP-UHFFFAOYSA-N	371.293	4.690	50	20	FJGD	
CC(C)c1ccc2cc(C(=O)NNc3ccc(Br)cc3)[nH]c2c1	918319899	IESQVKSRONPYEG-UHFFFAOYSA-N	372.266	4.811	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3nc(N)c4ccccc4n3)cs2)cc1	1318001111	WQFFRCDKBUHRJG-GDNBJRDFSA-N	369.453	4.708	50	20	FJGD	
O=C(O)c1ccc(C(=O)NN=C(CC2CCCC2)CC2CCCC2)cc1	1776101427	HOQURMOVYZPBAE-UHFFFAOYSA-N	356.466	4.631	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OC	7159195	FCFHRZHLWZTZOL-RVDMUPIBSA-N	370.836	4.683	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc1OC	25889984	KWRHVAMEQOYNAC-VZUCSPMQSA-N	368.742	4.835	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)n1	71840421	CFBUNWJPGYEHOG-LZYBPNLTSA-N	364.430	4.831	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCCC(C)C)cc1	72117972	SNOOPASRSGEICK-JXAWBTAJSA-N	364.445	4.666	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)ccc1OC	195089888	YYKPFIIPLOMJNV-LICLKQGHSA-N	361.397	4.768	50	20	FJGD	
Cc1cccc(NNC(=O)c2cccnc2Sc2ccc(C)cc2C)c1	215781167	JAIXALLUFSNCNJ-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
COCCn1cc(CNc2ccc(S(F)(F)(F)(F)F)cc2)cn1	283522441	WQSVIZOKZIKUBZ-UHFFFAOYSA-N	357.348	4.799	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NNc1ccccc1	734269373	IRYYQZSEENYVNZ-AWEZNQCLSA-N	352.463	4.506	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cnc(-c2ccc(C)cc2)s1)c1ccccc1	734299642	RTFNUXGQAAVRIH-LJQANCHMSA-N	363.486	4.762	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)c1ccccc1	743058078	DVLOGPRAQWROOH-XGHXRCDJSA-N	367.832	4.688	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1[nH]c2ccccc2c1Cl	748011790	BKFBGIJIKAYSEC-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
CN1CCc2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21	751524163	MYNRFOQXQTZTHG-ZROIWOOFSA-N	372.255	4.531	50	20	FJGD	
C#C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CCCO1	752981998	WAJCXKQORJENQI-CHWSQXEVSA-N	370.343	4.646	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	759116180	MIDQWUXURRNEPL-MHWRWJLKSA-N	369.262	4.920	50	20	FJGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1c(Cl)cccc1Cl	766777916	HXMNOVLHIUIVQQ-ACCUITESSA-N	368.223	4.969	50	20	FJGD	
O=C(NNc1ccc(Br)cc1F)c1cccc2ccsc12	768311696	PGPXAPBBRJVGMQ-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(C(F)(F)F)n1	775750445	NCFZJOAUYMSPSU-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1sc(-c2ccccc2C)nc1C	775885292	XDNLQDHSWTWIDY-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3nccc4sccc34)c2c1	806860765	ADGVCLLDPGDAQK-UHFFFAOYSA-N	351.431	4.923	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OC[C@@H]3CCCO3)cc2)cc1C	809147030	XBGQFVVVCLTNTJ-WLJFKGHSSA-N	361.441	4.651	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	812764736	FMAOVHAXFYVVCD-UHFFFAOYSA-N	353.441	4.550	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)o1	817014678	SZIJSHZUPRQOON-UHFFFAOYSA-N	372.652	4.728	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccccc2OC2CCCC2)c2ccccc2n1	920362488	AAJYIEXFALOVJB-UHFFFAOYSA-N	373.456	4.629	50	20	FJGD	
COc1ccccc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	921264440	RAVQGHGSDYHGHY-XLCLWTIASA-N	368.483	4.698	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(CC(=O)O)cc2)CC1	1776778886	CQUGRTFHBBQWTJ-MOSHPQCFSA-N	353.462	4.786	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)cc1	6854039	SRMXMGHMISEQFP-AQTBWJFISA-N	364.445	4.592	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)c1ccco1	8200719	MIMDITUZIREVNS-MHWRWJLKSA-N	365.820	4.585	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1c[nH]c2cc(F)ccc12	50766895	NOYIDIDSIZHSKO-OAHLLOKOSA-N	366.527	4.680	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C#N)cc2)cs1	63279015	KVNIZJYLJXLJRR-SXGWCWSVSA-N	358.382	4.654	50	20	FJGD	
C[C@H]1CCc2c(C(=O)NNc3cccc(C(F)(F)F)c3)csc2C1	104714548	UTMXNADMUOTUQG-JTQLQIEISA-N	354.397	4.649	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1)c1ccccc1	127713966	HVCIXYBAKOHYCA-FEMWLQECSA-N	353.425	4.533	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)s1)c1nc(-c2ccccc2)no1	727264487	RVGVFYUVAFYBLI-WJDWOHSUSA-N	356.410	4.924	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c1C	727655471	UQEPSMWTPUSAHL-RIYZIHGNSA-N	356.219	4.561	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)ccc1OC	729820460	RWRSEJIPGJJGOJ-SXGWCWSVSA-N	353.443	4.810	50	20	FJGD	
COc1cc(C(=O)NNc2c(C)cc(C)cc2C)ccc1OC1CCCC1	743763473	LJWNPEBAGISMAE-UHFFFAOYSA-N	368.477	4.699	50	20	FJGD	
C#CCN(Cc1ccc(F)cc1)C(=O)CCCC[C@@H]1CCSS1	743999081	OOYWCITZPDKSOR-QGZVFWFLSA-N	351.512	4.502	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc(C)c(C)s2)c1C	744255181	ZSHLSLZFPXGJGB-ZDLGFXPLSA-N	371.506	4.629	50	20	FJGD	
CCOc1cccc([C@H](C)NC(=O)CCCC[C@H]2CCSS2)c1	745123308	JADPBXMRESDPFK-YOEHRIQHSA-N	353.553	4.977	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)ncn3C)cc1	761199000	AJPUWYXYYZDVCC-LZNAANCOSA-N	358.445	4.632	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(C)c2OC(F)F)c1C	777871051	XDXHHHIZZQQGED-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	785037132	HEHMNLCAAHLZPI-DGGAMASNSA-N	362.326	4.629	50	20	FJGD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NNc1ccccc1Cl	788833635	XKEMRXIDGBFQCU-UHFFFAOYSA-N	359.817	4.526	50	20	FJGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cn1	790100593	OVNWRNSEXBVVFH-NSIKDUERSA-N	360.244	4.634	50	20	FJGD	
COc1cc(NNC(=O)c2cc(C3CC3)nc3ccccc23)ccc1Cl	790187607	QPXZTQSCRDVUNJ-UHFFFAOYSA-N	367.836	4.531	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccccc1OC1CCC1	791722622	LFHTYLHPLBPWHI-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)c1cccc(Cl)c1	810217879	MDAUPSFQEBNOFI-SDQBBNPISA-N	362.610	4.598	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccnc1SC(F)(F)F	812766176	JVPZXPLSKLQBHI-UHFFFAOYSA-N	369.412	4.882	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cc(C(F)(F)F)ccc1F	815870451	AGDCCRZCGLSFEW-UHFFFAOYSA-N	369.362	4.682	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)c1c(F)ccc(SCC2CC2)c1F	855369797	AERMOEHALPCTMB-UHFFFAOYSA-N	366.408	4.671	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2c(Cl)cccc2Cl)c1	916595300	BDHWAQTXTOVCEE-JYRVWZFOSA-N	362.212	4.652	50	20	FJGD	
C/C=C/C[C@@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261201	WLJHZNSSXANDQZ-VUDBWIFFSA-N	360.348	4.793	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)c1cccc(F)c1	194531851	ITPDQOKMGXFIFL-XDHOZWIPSA-N	358.372	4.686	50	20	FJGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1ccc(Cl)cc1Cl	255386919	QHDIHERXWCDIAG-NTMALXAHSA-N	358.228	4.698	50	20	FJGD	
O=C(Cc1ccc(Cl)cc1Cl)NNc1cccc(C(F)(F)F)c1	301217558	DFDKKXTYUROYPV-UHFFFAOYSA-N	363.166	4.698	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(O[C@H]2CCOC2)cc1	739787866	KANULXMPFYVOFT-IRXDYDNUSA-N	367.536	4.507	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1	741468199	DEDGKQZYFRJASO-GMYFBSLISA-N	370.456	4.847	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	741473398	HSRMEJIFOZCBLJ-PCRWRXJSSA-N	368.389	4.776	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OCC(F)F)cc2)c1C	741852998	RWIWRYFRXVDBPI-BOPFTXTBSA-N	372.415	4.949	50	20	FJGD	
C[C@H](C(=O)NNc1ccccc1Br)c1ccc2ccccc2c1	748066015	LSQLNONBQCJRAM-ZDUSSCGKSA-N	369.262	4.849	50	20	FJGD	
C[C@H]1CC(=NNC(=O)c2ccc(O)c(Cl)c2)C[C@H](c2ccccc2)C1	749857564	BPWQJOSJVDILCZ-CZUORRHYSA-N	356.853	4.735	50	20	FJGD	
CCC[C@H]1CCCCN1CCP(=O)(c1ccccc1)c1ccccc1	755246091	VXCPXWMNILATDS-FQEVSTJZSA-N	355.462	4.655	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1COc2c(Cl)cccc21	758179606	RZGOZNDBSUKSES-BXUZGUMPSA-N	357.928	4.604	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)cnc1Cl	760212003	RZGNHTLBKQQPOO-BJMVGYQFSA-N	367.655	4.657	50	20	FJGD	
CC(C)c1ccccc1-n1c(SC/C=C/C#N)nnc1-c1cccnc1	763298987	RJNYNSZTDLLVKU-AATRIKPKSA-N	361.474	4.625	50	20	FJGD	
CC(C)(C)c1cc2c(O)nc([C@@H]3CC[C@@H](Br)C3)nc2s1	765980746	DJUYOAMEGLMZOY-RKDXNWHRSA-N	355.301	4.725	50	20	FJGD	
Cc1ccc(-c2cnc(COC(=O)[C@H](Br)C(C)(C)C)o2)cc1	766752828	SRCCOKSJKCRBFE-HNNXBMFYSA-N	366.255	4.503	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)c1	767094386	UIBSQKIWYRMJBL-DOTOQJQBSA-N	350.478	4.733	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2c(C)nn(Cc3ccccc3)c2C)ccc1[N+](=O)[O-]	774557393	FGJMXZBPPDVAAW-NDENLUEZSA-N	372.428	4.829	50	20	FJGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)c2cc(-c3ccccc3)on2)C1	780210470	UQHICAPYOOWXMJ-QFIPXVFZSA-N	359.429	4.569	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CCC[C@@H](c2cccnc2)C1	799869002	FHQRQGVKEBYXQB-CQSZACIVSA-N	373.909	4.657	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1c(-c2ccccc2)oc(C)c1C	805375710	VFMKXPWPDKRRBS-UHFFFAOYSA-N	365.389	4.537	50	20	FJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)C(=O)Nc1ccccc1F	811685481	TVSMXWRBRWGKSF-KXIMDHCPSA-N	372.346	4.919	50	20	FJGD	
C[C@@]1(CNC(=O)Nc2cc(C(F)F)ccc2Cl)C[C@@H]1Br	856848784	KTKBYFRHYFHFJK-GWCFXTLKSA-N	367.621	4.573	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1Cl	1115857866	ADRRUMSGGUNGDB-UHFFFAOYSA-N	366.852	4.568	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(F)c(C(F)(F)F)cc2F)cc1Cl	1117376647	DGHXCZZQAYIWET-UHFFFAOYSA-N	364.701	4.702	50	20	FJGD	
O=C(NN=Cc1ccc(F)c(-c2cccs2)c1)c1ccccc1Cl	1248746655	JADFCKFBYZQCQG-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F	1318192587	ONFMBDAWJNIBSF-GHXNOFRVSA-N	359.319	4.802	50	20	FJGD	
CCN(CC)Cc1ccc(-c2nnc([C@@H](Br)C(C)(C)C)o2)o1	1327936241	UMCQLQORNBGIHM-CYBMUJFWSA-N	370.291	4.654	50	20	FJGD	
C/C=C/C=C\C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CCl)CCC2)cc1	1791237738	RCSNRAQJAXHBBY-LMJRQTCTSA-N	374.912	4.518	50	20	FJGD	
Cc1c(C(=O)NNc2cccc3c2CCCC3)cccc1-c1ccccn1	123663685	KTNALBDQMQUNBZ-UHFFFAOYSA-N	357.457	4.693	50	20	FJGD	
Cc1ccccc1[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	151394683	KOBIZPDFODLPSS-FUHWJXTLSA-N	365.564	4.609	50	20	FJGD	
Cc1cc(C(=O)NNc2ncccc2Cl)c(C)n1[C@@H](C)c1ccccc1	172268064	QIMDARXYGMLOTO-AWEZNQCLSA-N	368.868	4.520	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cnn(-c2ccccc2C)c1C(C)C	189673435	LUPFKHYOJWGNJW-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(C(=O)O)c2Cl)c(C)c1	588558346	OWTUENQVAKCROR-DHDCSXOGSA-N	368.820	4.509	50	20	FJGD	
COc1ccccc1CC(C)(C)NC(=O)CCCC[C@@H]1CCSS1	729420769	VDVIGDUQGJKYKL-MRXNPFEDSA-N	367.580	4.847	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccnc4cc(Cl)ccc34)oc12	729515343	XLYJMOCPQRFATI-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1csc(-c2cccc(Cl)c2)n1	743798150	YNBSXTBXXGXENP-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1F	755699772	MAGJDQXZTDQOJZ-GXDHUFHOSA-N	370.387	4.795	50	20	FJGD	
O=C(NNc1ccccc1)Nc1cccc(OCc2cccc(F)c2)c1	762236840	PZKQXNGXDKHJPK-UHFFFAOYSA-N	351.381	4.553	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)c1	769210614	ZRASXAGPTHMXPS-UHFFFAOYSA-N	354.347	4.574	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ncsc1-c1ccccc1	782196748	JYULUZHQXNFCRH-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1F	786929703	UTAPQNYEWRAQOM-PDGQHHTCSA-N	358.372	4.744	50	20	FJGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccc(Cl)cc1F	787509733	BBSWSJVGYALRIM-BZPDREMPSA-N	372.827	4.605	50	20	FJGD	
Cc1nc2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)ccc2o1	791443238	UGPLGYCJKFFMIM-UHFFFAOYSA-N	370.623	4.853	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cn1	797787123	BXYQJHIIFXNJMZ-NBVRZTHBSA-N	365.440	4.800	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1	799755401	DJGREFLICWCQSA-UHFFFAOYSA-N	362.429	4.777	50	20	FJGD	
CSc1cccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)n1	806782936	BMVUEPMOSINYJM-UHFFFAOYSA-N	364.474	4.547	50	20	FJGD	
Cc1nc(CCC(=O)NNc2ccc(C(C)C)cc2)oc1-c1ccccc1	837055524	HKTODNWSSFFGOR-UHFFFAOYSA-N	363.461	4.849	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1	857830989	NWWKQMVXCOADSU-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
O=C(CCOc1ccc(Cl)c(Cl)c1)NNc1cccc(Cl)c1	914755599	OXMZNHDCHXXYNJ-UHFFFAOYSA-N	359.640	4.559	50	20	FJGD	
C[C@H](CCCC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776410905	FGADZFYNLWVHHE-OAHLLOKOSA-N	351.563	4.804	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)co2)cc1	72312342	PTTSRRQJQBVVIH-GDNBJRDFSA-N	363.804	4.849	50	20	FJGD	
Cc1cn2c(/C=C(/C#N)C(=O)c3c(C)[nH]c4ccccc34)c(C)nc2s1	84257682	YYOPYSWWPLCNIZ-ZSOIEALJSA-N	360.442	4.592	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)CCc1ncc(-c2ccccc2Cl)o1	119071993	IKMASIJEGDVKAB-UHFFFAOYSA-N	373.815	4.518	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	120707872	FUBRCKIRVFPEOO-UHFFFAOYSA-N	354.397	4.963	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1)c1ccccc1	158300063	YPBJPGHYGBGJBS-LBSLPOPVSA-N	353.425	4.533	50	20	FJGD	
Cc1nc(-c2cccc(C(=O)NNc3ccc(Cl)c(F)c3)c2)cs1	175420203	GTCCCOGVMWKIOO-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](c2c(F)cccc2F)C1	184947485	JDJPKITXZWOOOV-ZIAGYGMSSA-N	371.518	4.995	50	20	FJGD	
CO[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192260976	FTDGTLGJNZBVMN-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc2c1OCO2	212147670	YKMAWAQJIBGSRV-SXGWCWSVSA-N	363.413	4.511	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)c1c[nH]c2ccccc12	588459369	VHANWFBDYDCYDU-GHXNOFRVSA-N	351.749	4.519	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(/C#N)c1cnc2ccccc2n1	588580913	UUZCHBCRPWRHGQ-ZROIWOOFSA-N	350.219	4.765	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(Cl)ccc3Br)nc12	742435607	YZIAHAQXLGGVBR-WDZFZDKYSA-N	373.641	4.746	50	20	FJGD	
O=C(NNc1ccccc1F)c1cccc(OCc2cccc(Cl)c2)c1	748049366	UPLZZIPMPKMZAB-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1	761394893	XHLPYBLBXIKWSP-MDWZMJQESA-N	351.406	4.598	50	20	FJGD	
O=C(CC(F)(F)F)NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1	761783449	XVURKHBVQRWIRH-UHFFFAOYSA-N	366.305	4.788	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1[nH]c2ccccc2c1Cl	763624543	OWUOLWYAZDERPU-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
N#C/C(=C/c1cc(C(=O)O)cs1)C(=O)c1c(Cl)cccc1Cl	765825299	ODZUATSRKALKCH-YWEYNIOJSA-N	352.198	4.543	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(-c2nccs2)c1	769981532	HLKHLMFIPXJHKQ-UHFFFAOYSA-N	367.459	4.568	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c(Cl)c1	776256254	COISZKYEOOAOBW-JYRVWZFOSA-N	363.747	4.740	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1CC(F)(F)F	781041695	KRSHTNVAEFOUHY-UHFFFAOYSA-N	367.415	4.722	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccs1)c1ccc(Cl)cc1Cl	787146100	VKPJJHPWLKXVJW-UEUZTHOGSA-N	351.258	4.839	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccc(Cl)c(OC)c1	790187041	MEJWSPXLYANTFA-UHFFFAOYSA-N	371.289	4.871	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)ccc1SC	794885703	VRDKJSJNRRMPJY-YVLHZVERSA-N	360.438	4.755	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)c1ccoc1	798230085	KRTZAFLWOISKAM-NTEUORMPSA-N	350.355	4.706	50	20	FJGD	
Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(CCl)c2)cc1	799891050	JAPXZURDJFMSPP-BJMVGYQFSA-N	366.848	4.634	50	20	FJGD	
COc1cccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)c1OC	810251004	NBFNXKXQPDBHAN-WDZFZDKYSA-N	368.742	4.835	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCCCCl)cc2)c1	811686368	TVIVGKMRPTVMHL-LGMDPLHJSA-N	354.837	4.548	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC(c3ccc(O)cc3)CC2)c2ccccc2n1	814714089	QRVISSOQPJXWFQ-UHFFFAOYSA-N	373.456	4.692	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1Cl	915847738	MSVAULYNVYVVQW-WJDWOHSUSA-N	370.884	4.808	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCCO2	915990028	JAHJFZBAYFIODX-QPEQYQDCSA-N	359.834	4.661	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccccc1Cl	916294359	AQGDSVPPHQBFFC-UHFFFAOYSA-N	364.832	4.536	50	20	FJGD	
CC(C)N(CCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1	921059211	PWOUFKNOQYQAME-UHFFFAOYSA-N	363.441	4.916	50	20	FJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ccc(C(C)(C)C)nn2)cc1	1323073501	VRRTXKFRCFXPIC-HNNXBMFYSA-N	354.498	4.534	50	20	FJGD	
CC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1	1791257064	RABREECBMZJQJI-QGZVFWFLSA-N	364.917	4.574	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1ccc(SC(F)F)cc1	57537053	RTWCUQPDKIRNPD-YRNVUSSQSA-N	366.339	4.825	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	103277072	VKCAITUABSPZRB-ZJUUUORDSA-N	354.294	4.517	50	20	FJGD	
Cc1ccc(-c2nc(C)sc2CC(=O)NNc2cc(C)cc(C)c2)cc1	126570832	COSQAKGITDQOGO-UHFFFAOYSA-N	365.502	4.730	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cccc(F)c2F)c(C)n1CC(F)(F)F	170963984	QJZWBUTWHQQSDG-NTUHNPAUSA-N	368.305	4.735	50	20	FJGD	
C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H]1C	183553226	NJHDNZWFLOWVIN-UWVGGRQHSA-N	372.359	4.539	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(C(C)=O)cc2)c1C	220079528	AHWHJPNWRKFLCU-MOSHPQCFSA-N	364.445	4.620	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N(CCO)C1CCC1	277464483	QXTRGZGVEZKPKS-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc(Cl)c1O	727654712	JMWSGVXHOAEBMR-OVCLIPMQSA-N	355.821	4.851	50	20	FJGD	
N#C/C(=C/c1occc1Br)C(=O)Nc1cccc2ccccc12	735303856	ACEMWTQZMJXDEA-RAXLEYEMSA-N	367.202	4.741	50	20	FJGD	
O=C(C=C1CCCC1)NNc1c(Cl)cc(Br)cc1Cl	742005012	IMNKLLKOCVVNHI-UHFFFAOYSA-N	364.070	4.699	50	20	FJGD	
CCO[C@@H](C)c1ncc(C(=O)NN(c2ccccc2)c2ccccc2)s1	742519927	QRVGQTKFSGLYFS-HNNXBMFYSA-N	367.474	4.724	50	20	FJGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1c(C)nn(C(C)C)c1C	746488279	GETDCEQMDHOSNT-UHFFFAOYSA-N	367.280	4.542	50	20	FJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)c1nc(-c2ccccc2)no1	747689998	CMJQDVOLZPPMFS-XMHGGMMESA-N	350.381	4.863	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1C(F)(F)F	751454335	BJVHWOVLZLKUKI-HLVNSREUSA-N	362.326	4.629	50	20	FJGD	
Cc1csc(-c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2)n1	751878087	YVFCTLQQQPCWOM-MHWRWJLKSA-N	363.417	4.803	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1	755403923	JNMTWSRQTLBBFL-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@H]1CCc2c(Cl)cccc21	775781431	BSODBBDKLFXMSZ-AWEZNQCLSA-N	354.759	4.532	50	20	FJGD	
C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	777936857	MEHAXZCQZKRWMA-SKDRFNHKSA-N	365.389	4.811	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)C1CCCC1	781553090	JTUPDLXLLPXTRH-RVDMUPIBSA-N	352.415	4.990	50	20	FJGD	
O=C(CCCc1ccsc1)NNc1ccc(Br)cc1Cl	783590071	RFGZQZUDQQJUQZ-UHFFFAOYSA-N	373.703	4.630	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ncccc1C(F)(F)F	784973574	DDXGNIGLWSFHFP-NSHDSACASA-N	365.442	4.858	50	20	FJGD	
Cc1ccc2nc(/C=C(/C#N)c3nc(-c4ccc(C#N)cc4)cs3)cn2c1	789129854	YFDYLTMLNQPZRB-IUXPMGMMSA-N	367.437	4.702	50	20	FJGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	808745977	GZSUKWAZLMQKQD-RTBURBONSA-N	367.581	4.999	50	20	FJGD	
CC[C@](C)(NCc1ccc(OCCCCl)cc1)c1nc(C)cs1	811481200	RFXFILNTMFHKSE-SFHVURJKSA-N	352.931	4.874	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@H]1N	841179516	OTXNICFZJBEJIF-GXFFZTMASA-N	373.391	4.935	50	20	FJGD	
CC1(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCNCC1	841180015	WFRKIMPLRPETHX-UHFFFAOYSA-N	373.391	4.855	50	20	FJGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)c1nc(C2CC2)cs1	843266566	XNEKOBKCTHVAIR-AWNIVKPZSA-N	358.850	4.899	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccnn1Cc1ccccc1	849209954	ZLCKMZNHGLSIKI-INIZCTEOSA-N	361.536	4.584	50	20	FJGD	
CC1(C#N)CCN(/C(=C\C#N)c2ccc(Br)c(Cl)c2)CC1	851912565	MORZHOJHWXOWBH-TVPGTPATSA-N	364.674	4.593	50	20	FJGD	
CCC(=O)N1CCCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC1	891743485	FLYCJOUGUWAWMI-UHFFFAOYSA-N	372.403	4.788	50	20	FJGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-c2cccc(Cl)c2)s1	914691912	JFRGQVILJPRXLW-UHFFFAOYSA-N	369.877	4.631	50	20	FJGD	
O=C(NN=Cc1c2ccccc2c(Cl)c2ccccc12)c1ccncc1	916243239	RLJMNMVDZWBSMT-UHFFFAOYSA-N	359.816	4.805	50	20	FJGD	
O=C(NN=Cc1ccc(F)cc1F)c1ccc(-c2ccc(F)cc2)s1	917029508	KYWSPTLBPAXBSU-UHFFFAOYSA-N	360.360	4.596	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(C(F)(F)F)c1)c1nc(N)c2ccccc2n1	1324265341	KUOKBUMUPGCEFA-VZUCSPMQSA-N	374.753	4.948	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(-c2cc3ccccc3o2)n1	63275501	RHSNXVIJHCOHSO-GDNBJRDFSA-N	365.396	4.774	50	20	FJGD	
CCN(CC)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cn1	71960840	OHVHBYKNIWUINZ-OAHLLOKOSA-N	353.557	4.580	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2c(ccc3ccccc32)[nH]1	122396739	OXFREDWVESSNIT-UHFFFAOYSA-N	367.355	4.679	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1C	170869660	ZPPVWGNQRZBSKZ-XNTDXEJSSA-N	361.367	4.689	50	20	FJGD	
CC(=O)NCCCCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186057890	MWJVCEDXEAACET-UHFFFAOYSA-N	374.375	4.979	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)Nc1cc(Cl)ccc1Cl	212127343	CGHKNSPPYMFKTD-TWGQIWQCSA-N	353.155	4.817	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cc(Cl)ccc1Cl	727759342	YIDMAANCKXPLNZ-UHFFFAOYSA-N	350.127	4.559	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccccc2OC(F)F)c1C	729956523	XTTIRZHPXFRSDB-WJDWOHSUSA-N	374.387	4.629	50	20	FJGD	
CCC/C(C)=C/C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477798	OGNKGQBYJOHMQY-VQHVLOKHSA-N	365.193	4.657	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)C(=O)c1ccccc1F	731490045	PRPORTYDCFWISG-YRNVUSSQSA-N	351.711	4.870	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1csc(-c2ccc(C)cc2)n1)c1ccccc1	731931608	LMIWFVQZXNWULH-LJQANCHMSA-N	363.486	4.762	50	20	FJGD	
CO[C@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccc(Cl)cc1	742090660	IEYHPSCLWRDKOC-JKSUJKDBSA-N	373.971	4.858	50	20	FJGD	
C/C(=C/C(=O)NNc1cc(F)c(F)cc1F)c1cccc(C(F)(F)F)c1	743415151	OQPJMMWEVNSZON-UITAMQMPSA-N	374.284	4.669	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(C(F)(F)F)cc3)c2)cc1	747590935	NMDNNPDLGPQVHM-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Oc2ccccc2)nc1	752811101	QIPLPOJSGUVQSB-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1cc(Br)ccc1C(=O)NNc1cc(Cl)ccc1Cl	752811402	MKEXRUBVHMTIAI-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1NCc1ccccc1Cl	763530984	FUIIMCVDFTVYMM-UHFFFAOYSA-N	351.837	4.709	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)ccc1-n1cncn1	788361207	WVKLNQIFINELQZ-RQZCQDPDSA-N	370.437	4.580	50	20	FJGD	
Cc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1Br	791722479	JVQIDYBYVHANDW-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC1CCCC1)C(=O)C1CCOCC1	794953591	OHCOYWZFYLGULU-WJDWOHSUSA-N	359.853	4.564	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@H](c4cccnc4)C3)cc2C1	799871777	DWDBXWSTVWWXRD-GJZGRUSLSA-N	367.518	4.712	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H]2CCOC3(CCCCC3)C2)cc1	811483332	FTEVKTYMVGCSHD-GOSISDBHSA-N	351.918	4.666	50	20	FJGD	
C[C@H](NC(=O)NNc1ccc(Br)cc1Cl)c1ccsc1	812217571	ZIMAHYNOMYAVBR-QMMMGPOBSA-N	374.691	4.551	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cnn(CC(F)F)c3)n2)cc1	814182323	GUDZETPNOCMPCU-GIDUJCDVSA-N	356.401	4.644	50	20	FJGD	
COC(=O)[C@H](C)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	839895960	PVYBHIYNPMPFOH-CZUORRHYSA-N	367.536	4.616	50	20	FJGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)c1nc(C2CC2)cs1	843265450	NCKFFGGJULINIS-GANRHZMWSA-N	352.459	4.642	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)CCCCc2nc3ccccc3s2)c1	917512411	CJWRDEYYAIVOCM-UHFFFAOYSA-N	353.491	4.769	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2cc(F)ccc2F)cc1	920159613	YXFILGPQCSIRQO-LERPTODRSA-N	357.356	4.575	50	20	FJGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(Br)cc1C	1319503466	NYAHVXQFQVNOIN-UHFFFAOYSA-N	373.250	4.823	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cn2)cc1	1340939721	JCCIFEUEKQLSCU-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CC[C@@H](C)[C@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776687960	LOZPNKHDUSRYLF-PBHICJAKSA-N	351.563	4.660	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)c1ccc(F)cc1	11295495	JNWBFIYFHGOBNY-LFIBNONCSA-N	361.328	4.574	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(NC(=O)C2CC2)c1	44859943	VWULJAKPXDZXNN-INIZCTEOSA-N	364.536	4.688	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1occc1CSc1ccccc1	73070980	DYFOGIDPVASVJD-UHFFFAOYSA-N	360.385	4.607	50	20	FJGD	
Cc1sc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(F)cc1	134095412	IFCCUMYAHIJBSK-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	175448030	XPYAQFPAXOIDFU-XGICHPGQSA-N	352.253	4.507	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	188446588	OYGOQQJMXVPRMN-MKRMIXIUSA-N	371.440	4.534	50	20	FJGD	
O=C(c1cccc(CCl)c1)N1CCC(c2nc3ccccc3o2)CC1	326712988	CULXLNHLNDESLA-UHFFFAOYSA-N	354.837	4.586	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccn1Cc1ccccc1C#N	588541760	SQBAIRRKPCWMQC-WQRHYEAKSA-N	357.438	4.568	50	20	FJGD	
N#C/C(=C/c1cc(Br)ccc1F)c1cnc2ccccc2n1	588580141	BRUGTKQPIUVMSX-GHXNOFRVSA-N	354.182	4.596	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2)cs1	727848855	WLZMMRGGCPVZOW-MHWRWJLKSA-N	363.417	4.803	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)c1ccccc1	743057794	DVLOGPRAQWROOH-DPWKNNTCSA-N	367.832	4.688	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1COc2c(Cl)cccc21	758179608	RZGOZNDBSUKSES-FZMZJTMJSA-N	357.928	4.604	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)c1c[nH]c2cc(F)ccc12	759116873	KCTSRXFGXSFENH-JYRVWZFOSA-N	359.335	4.784	50	20	FJGD	
Cc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)c(C)s1	760231193	IWZPJLNLOGBJKK-UHFFFAOYSA-N	364.470	4.561	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N(CCCO)C1CC1	762975221	MCQRALUEWSCEQT-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
N#CSCCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1	773584936	KLKDMFJNBBONTQ-UHFFFAOYSA-N	364.392	4.707	50	20	FJGD	
CC(C)Cn1ccc2c(C(=O)NNc3nccc4sccc34)cccc21	774017455	JJXDNJPAZMDZHO-UHFFFAOYSA-N	364.474	4.664	50	20	FJGD	
COC(=O)c1coc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c1	774118988	KFNBKIYEAYSOHB-AUWJEWJLSA-N	350.399	4.562	50	20	FJGD	
CCc1ccc([C@@H]2CCCCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)o1	776661614	RBSVDPMHTVJAJT-QMEWPPBRSA-N	364.445	4.598	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(F)nc2)c(C)n1-c1ccccc1F	777465808	IMMOLPJRENXCKF-YBEGLDIGSA-N	363.367	4.557	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1cc(Cl)cc(Cl)c1	777871656	LDVSHKWYVPBRDJ-QDEBKDIKSA-N	365.147	4.831	50	20	FJGD	
CCn1cc(CC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	781025855	PQYVYLCKMLZUOZ-UHFFFAOYSA-N	355.332	4.742	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(Cl)cccc1SC(C)C	782356239	XAHBNNFFARFSKB-JLHYYAGUSA-N	357.928	4.920	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccnc(Cl)c1Cl	791435361	SSZJFWSRHJQDDM-XFFZJAGNSA-N	366.635	4.896	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3c(F)cccc3Br)[nH]c12	794874830	KAOBQQURCOHXRS-FLIBITNWSA-N	356.198	4.837	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1	797406307	RXIFVFJPBAPNOL-MDWZMJQESA-N	360.364	4.720	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	797618254	COOOMSKZDRGDGU-JZUUQJBKSA-N	372.852	4.739	50	20	FJGD	
COC[C@H](C)Nc1ccccc1NC(=O)CCCC[C@H]1CCSS1	798051108	YZJSCYOUGGETRQ-GJZGRUSLSA-N	368.568	4.786	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(-c2ccccc2)c1C1CC1	812767058	RZJLIFGOAHEBFG-UHFFFAOYSA-N	374.488	4.938	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2C[C@@H]3[C@@H](C2)C3(F)F)cc1	844458235	NJIAUIQTTUGZRK-IAGOWNOFSA-N	353.529	4.905	50	20	FJGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccccc2Oc2ccccc2)CCO1	846460298	AURGSVDBKQQCMM-SJLPKXTDSA-N	354.450	4.517	50	20	FJGD	
CC1(C)C[C@@]1(C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	850690835	IJAKBUJHKAEEDT-CQSZACIVSA-N	372.359	4.587	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1-c1ccc(F)c(F)c1F	914786770	PIAUAWDFORBPBV-XNTDXEJSSA-N	353.347	4.971	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c[nH]c2c(CC)cccc12	7160080	GXWLLNVBZCFKMW-FOWTUZBSSA-N	359.429	4.675	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(N2CCCC2)cc1	31303285	KVDAVSXZDXJZGA-QGZVFWFLSA-N	350.553	4.939	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(F)c(Cl)cc1Cl	61038087	DODOEGHGVCKJDX-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)c1nc(-c2ccncc2)cs1	108969187	XWBPSZRXRYFSCB-VCHYOVAHSA-N	367.437	4.726	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cccc(NC(=O)C2CCCCC2)c1	158374124	NBQDFAJRLOYSSD-UHFFFAOYSA-N	371.868	4.616	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Cl)c1OC	171670633	MSXHXOGUPPWCSE-XNTDXEJSSA-N	370.836	4.520	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	210002790	KUYGRSBUBTYYOI-YHYXMXQVSA-N	353.155	4.817	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(CC)c2C)cc1	727976243	OIJFVDCRTAMGLU-IIMQCXAKSA-N	350.466	4.579	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1	743336856	ODTGVGJIBGOIGE-JXMROGBWSA-N	356.294	4.530	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCCC(C)C	747612842	KNBASZAYHAFTKI-QGOAFFKASA-N	364.445	4.666	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccnc(Oc2ccccc2)c1	748008483	VUCCAKCQBXTNBE-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccc(OC(F)F)cc1	748650631	PYGBCLVAEYDDHZ-SNVBAGLBSA-N	372.824	4.565	50	20	FJGD	
CCN(CCC#N)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	750585456	ASLLLMURIHPXKF-LBPRGKRZSA-N	365.808	4.673	50	20	FJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	752500097	GHKCPKJPIKJJJT-LDADJPATSA-N	366.436	4.995	50	20	FJGD	
C[C@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	762979668	KELCSPIJVKOWHE-WDEREUQCSA-N	374.375	4.969	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)Nc1ccc(Cl)cc1	767708596	XPPUYVIWANWCCI-LCYFTJDESA-N	357.866	5.000	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccccc1CC(F)(F)F	770042652	SUZAIHQTYNAAJV-UHFFFAOYSA-N	366.368	4.550	50	20	FJGD	
O=C(c1ccccc1)C1CCN(Cc2ccc(OCCCCl)cc2)CC1	788841716	APWOAZZOZFQFLN-UHFFFAOYSA-N	371.908	4.789	50	20	FJGD	
O=C(NNc1ccc(F)cc1)C1(c2cccc(C(F)(F)F)c2)CCCC1	789958267	DHNJRMTUSGQSLH-UHFFFAOYSA-N	366.358	4.800	50	20	FJGD	
O=C(NNc1ccc(F)cc1Br)c1ccc(C2CCC2)cc1	790806517	GZKNKTBZAAVXQW-UHFFFAOYSA-N	363.230	4.613	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ncc(CN(C)C)s3)n2)cc1	794700034	VINVGPLXAJFTOR-NVNXTCNLSA-N	366.515	4.701	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc2ncccc2c1	794885117	OQABATKBQJYQFT-DHDCSXOGSA-N	361.763	4.689	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2cccc3cccnc23)cc1	806861391	LZXQGRZQUWOBQV-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
C/C(C=NNC(=O)c1c[nH]c2ccccc12)=C/c1ccccc1OC(F)F	811630275	XCBRRVZQRIJNCX-DLOUMUPYSA-N	369.371	4.588	50	20	FJGD	
CCN(CC)Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1	812765160	XYJAEQXIKVQVRB-UHFFFAOYSA-N	353.510	4.717	50	20	FJGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3c(C)cccc3C(C)C)cc2)n1	812769799	VTWIAYOAINGPRA-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1	817900209	YUNVEJXKGPYDEV-UHFFFAOYSA-N	358.747	4.514	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cccc(Cl)c1	916295582	XSWGDVNOQBIHNH-UHFFFAOYSA-N	364.832	4.536	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c1	920833879	SFPBELZYHOEGPP-OVCLIPMQSA-N	372.327	4.603	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)c1nc(N)c2ccccc2n1	1317813395	UKJZNCODWZGPLW-LCYFTJDESA-N	373.416	4.539	50	20	FJGD	
CC(C)(C)[C@@H](Br)c1nnc(-c2cccc(OC(F)F)c2)o1	1331908779	LDYPAGPEAZEAPG-JTQLQIEISA-N	361.186	4.820	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(/C=C\C(=O)O)cc2)cc1	1776271628	LQYLECYYWGOMSD-HFHMEBCDSA-N	359.425	4.872	50	20	FJGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)n2c1	151412766	HWXARDQGTJBXSX-GHXNOFRVSA-N	356.212	4.739	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1	183417042	YNKUEUXIBLFINE-AKGOGDBKSA-N	371.415	4.672	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1	255279984	OOLZFAPERKOMPR-OJNRTJSBSA-N	364.355	4.786	50	20	FJGD	
Cc1cc(SC#N)ccc1NC(=O)[C@@](C)(CC(=O)O)C1CCCCC1	726604110	GAZJGQQSQLLNOC-IBGZPJMESA-N	360.479	4.568	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2cc3cnn(C(C)C)c3nc2Cl)sc1C	741466982	IEYNYJPTFUEJNG-WLRTZDKTSA-N	357.870	4.803	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OC(F)F)cc1C	742345830	CIJHFQDFGDGTAD-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
O=C(Nc1cccc(F)c1F)NN(Cc1ccccc1)c1ccccc1	743310591	NLFSJDZWRKHIJR-UHFFFAOYSA-N	353.372	4.708	50	20	FJGD	
COc1ccc2oc(C(=O)NNc3ccc(Cl)cc3Cl)c(C)c2c1	748008092	NYUXLBKFKHNURC-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)cc3)c2c1	752625743	JNYCJSTXJTYQMH-UHFFFAOYSA-N	367.836	4.531	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CCCC(F)(F)F)c1C	756794437	RTOOGQGILCAKOG-GPLLRDDGSA-N	369.431	4.659	50	20	FJGD	
CCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)cnn1CCC(C)C	757601502	FYUJJSYTMMCOSK-UHFFFAOYSA-N	369.296	4.555	50	20	FJGD	
C=C[C@@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	760123046	FFBJFWUHKHULKV-AWEZNQCLSA-N	351.837	4.691	50	20	FJGD	
CCOc1cc(Cl)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	778932002	JOPZBHLEXQFOMX-UHFFFAOYSA-N	358.747	4.514	50	20	FJGD	
CC(C)Oc1ncc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1Cl	791718316	POMDBSHHRUHBLM-UHFFFAOYSA-N	374.655	4.586	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccnn3C(C)C)n2)cc1	794875390	RMGRBJAOSKGCBC-GDNBJRDFSA-N	350.447	4.660	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(Cl)cc2-n2cncn2)s1	797407008	LKOWBZLOQLJROE-AWNIVKPZSA-N	369.881	4.739	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC)s2)cc1Cl	798231416	HMGHODOSKBJHCN-JXMROGBWSA-N	364.879	4.678	50	20	FJGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)c1c(Cl)cccc1Cl	834953255	CVIZPGKJHPMLJR-UHFFFAOYSA-N	369.292	4.981	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)c(Cl)c1Cl	857473928	KQZCJUQREWFPBX-UHFFFAOYSA-N	361.175	4.660	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cs2)cc1	918712961	GDIRLEZNVYDHEO-QUYZQLMHSA-N	373.481	4.903	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2n1C	921259160	JMCTUHXEYUVGDA-KPKJPENVSA-N	358.228	4.953	50	20	FJGD	
Cc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1Br	152643915	ZDVXZDWHLBEACK-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccnc2Cl)c(C)n1CC(F)(F)F	255025545	OQTCWLQNTPDJMT-QPEQYQDCSA-N	367.758	4.506	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccco2)c1C	302893566	DTKUEIIDLXABJP-MOSHPQCFSA-N	373.456	4.561	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)ccc1Oc1cccnc1	732716245	MDLYTTGPHCIWEI-XMHGGMMESA-N	369.424	4.752	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2sc(-c3ccc(C)o3)nc2C)c(C)c1	743761868	DHJZGVHKKOQORG-UHFFFAOYSA-N	355.463	4.702	50	20	FJGD	
Cc1ccc2c(CCC(=O)NNc3cccc(C(F)(F)F)c3)c[nH]c2c1	745989031	GWNYONPGVLFRQR-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(C(F)(F)F)cc1	747609400	ROTHWXCDPCHOBO-UHFFFAOYSA-N	372.774	4.903	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCOc1ccc(F)cc1	748669663	KPXMYLCONSAPJR-UHFFFAOYSA-N	372.465	4.931	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2OC(F)F)cc1	756783011	GGWVDBRAYBSRFC-RVDMUPIBSA-N	372.371	4.541	50	20	FJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)c1c[nH]c2cc(F)ccc12	761386263	PWXPKEXICHBSQL-BJMVGYQFSA-N	365.364	4.846	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cncc(-c2ccccc2)c1	763624588	QBWUNJIUYAYRCR-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
CCSc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1	769743903	RGVDFCIWRMEICD-GZTJUZNOSA-N	363.891	4.790	50	20	FJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)c1ccccc1OC(F)F	775638358	CAURGTNBEFAGFB-XFXZXTDPSA-N	357.287	4.963	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C(=O)OC(C)(C)C)c2)s1	777871685	LLZGYOXOZGRQKQ-LFIBNONCSA-N	353.443	4.802	50	20	FJGD	
Cc1ccc(S[C@H](C(=O)N2CC=C(C#N)CC2)c2ccccc2)c(C)c1	780688200	AJAAZPNRZFYAMP-NRFANRHFSA-N	362.498	4.819	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccs1)c1ccc(Cl)cc1Cl	787146098	VKPJJHPWLKXVJW-QBQSQJOESA-N	351.258	4.839	50	20	FJGD	
N#C/C(=C\c1cscc1Br)c1cc(C(F)(F)F)ccn1	812246569	OKGKUBPVKJVYQC-FPYGCLRLSA-N	359.170	4.989	50	20	FJGD	
N#C/C(=C/c1sccc1Br)c1cc(C(F)(F)F)ccn1	812248161	FWHOAKYXJMFOQD-YVMONPNESA-N	359.170	4.989	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1cccc(C(F)(F)F)c1	813494027	UXUMPUWOMZQBJH-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1cc(C)nc2ccccc12	814213813	JASPJXBSMOXLMC-LJOJDRIWSA-N	373.456	4.509	50	20	FJGD	
CC(=NNC(=O)c1cccc2cccnc12)c1nc(-c2ccccc2)cs1	814823968	CWLKBHKCDAFVHK-UHFFFAOYSA-N	372.453	4.512	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]c2ccccc12	16441589	LNIFLNYEMHJTME-NBVRZTHBSA-N	355.441	4.948	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)c3nc(C)cs3)cs2)cc1	67953126	KXVIVDRSMZQRBQ-AUWJEWJLSA-N	353.472	4.860	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)C(C)C)ccc1OCc1ccc(F)cc1	97402608	AJDLVPCKFQGWDE-YVLHZVERSA-N	353.393	4.545	50	20	FJGD	
COc1ccc(CN(C)C(=O)CCCC[C@@H]2CCSS2)cc1C	103091708	KTBPROMDOKWCTI-MRXNPFEDSA-N	353.553	4.676	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(-c2ccc(F)cc2)s1	110784960	ZTGWJIYWTNOQNT-UHFFFAOYSA-N	366.339	4.728	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCC2)s1)c1nc(-c2ccncc2)cs1	157239917	QQMHMDZVZXPOBH-ZSOIEALJSA-N	350.472	4.993	50	20	FJGD	
Cc1ccc(NC(=O)NNc2ccccc2Cl)cc1NC(=O)C(C)(C)C	179855248	VXVLHDXHSPIUCE-UHFFFAOYSA-N	374.872	4.782	50	20	FJGD	
O=S(=O)(N[C@H]1CC=CCC1)c1cccc(S(F)(F)(F)(F)F)c1	187106729	WTITWHMHDSHUTF-JTQLQIEISA-N	363.373	4.731	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)c(C)c1	729149470	HXPCYXAUMXSOCM-YBFXNURJSA-N	360.457	4.871	50	20	FJGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730149826	ZORSELMZNNJAPG-SDQBBNPISA-N	370.405	4.525	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc3ncccc3c2)c1C	733696644	WRQIUYINZQIKEL-BKUYFWCQSA-N	373.456	4.714	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3ncccc3Cl)c(Cl)c12	734247496	MUJKOPFEIKGIGH-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
COc1ccc(NNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)cc1	746883938	ZYLWULHOURYRDN-HXUWFJFHSA-N	360.457	4.555	50	20	FJGD	
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNc1ccccc1F	748055738	FAVZYDBXRDXLHB-VMPITWQZSA-N	358.722	4.654	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2Cl)c(C)c1	761394971	XXEBJBZCQFXRCG-RIYZIHGNSA-N	353.784	4.513	50	20	FJGD	
CCSc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	776648754	YDRWSMXCSBDIHM-UKTHLTGXSA-N	358.850	4.703	50	20	FJGD	
Cc1cc(Cl)c(C(=O)NNc2ccc(Br)cc2C)cc1C	781349141	XMUWQEBOFZROKH-UHFFFAOYSA-N	367.674	4.785	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)C(=O)c1ccc(Cl)s1	783687464	KIXZPXZOAGWTRN-RIYZIHGNSA-N	351.818	4.648	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(F)cccc1OC(F)(F)F	789127991	PSGWOWQLUIHGPW-FMIVXFBMSA-N	364.298	4.578	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)c1ccc(F)c(Cl)c1	789148086	NYGWGIVYYUCGDR-WDZFZDKYSA-N	358.781	4.985	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn([C@H](C)CC)c2C)c1C	791569799	UKYBUVSLZZAYQC-HIPSJFSSSA-N	367.497	4.537	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC1CCCC1)C(=O)[C@@H]1CCCOC1	794884065	NQNBFKXJOPDVFM-DWKHYPNZSA-N	359.853	4.564	50	20	FJGD	
Cc1ccnc2ccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc12	802965752	LWYJLJVFWVOYGT-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2C)c1C	806554752	ZEUZPDVGBFAAOX-LDADJPATSA-N	366.461	4.630	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1sc2ccccc2c1Br	810021851	OHBUZKNJOQPXGH-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
Cc1cnc([C@H](NC(=O)NNc2cccc(Cl)c2Cl)C2CC2)s1	838492207	QCZIDBDQRQEFNY-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H](C)CN1	841179278	MUOKXVNSBZOTJE-NXEZZACHSA-N	359.364	4.558	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(Cl)cc3)o2)cc1	866000575	JEAPIWLPYFMXFO-UHFFFAOYSA-N	354.793	4.560	50	20	FJGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1	916345494	BKXWRLAAQFSYQG-UHFFFAOYSA-N	353.274	4.544	50	20	FJGD	
N#C/C(C(=O)c1c[nH]c2cc(Cl)ccc12)=C1/COc2ccc(F)cc21	918156326	URMDJSMDYNUGCR-JQIJEIRASA-N	352.752	4.513	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(CCc3ccccc3)o2)c1C	1322400228	QRVOAEXISRJHMP-ZHZULCJRSA-N	360.461	4.747	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	59269504	ZZTPBECQPZOPAI-GXDHUFHOSA-N	374.412	4.946	50	20	FJGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1OC	171389694	AOWUCKMJTYFTRE-LICLKQGHSA-N	365.429	4.509	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cncc(-c2ccccc2)c1	177017708	TZBHLGAPPPDPPN-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	192255236	ZALFATGTFMWIGG-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)C(=O)c1cc(F)cc(F)c1	193164861	KIAZYFGOZGHKHM-IZZDOVSWSA-N	358.394	4.940	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1	208399275	PVYXVDVZOPHARA-APSNUPSMSA-N	363.442	4.652	50	20	FJGD	
C[C@@H](Sc1ccccc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	210452140	MERIECSQQVFASJ-ZJUCDATASA-N	356.447	4.828	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	211477833	GMIODJYUYYBCPS-JYRVWZFOSA-N	362.401	4.898	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	212649118	VEEWOEGEVASKIV-KAMYIIQDSA-N	373.428	4.613	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc(Cl)c1OC	588424628	DJUXISDBEFBOFA-YHYXMXQVSA-N	368.241	4.862	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	588558393	XKOMYQRMSXJLEF-LCYFTJDESA-N	364.788	4.618	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)C(CC)CC)ccc1OCC(F)(F)F	726118000	HKECYXAPUUDMJB-OQLLNIDSSA-N	369.383	4.939	50	20	FJGD	
CC[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1	726704737	YXYXDPWUDBYJNP-HNNXBMFYSA-N	369.799	4.719	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3[nH]ccc23)c1C	726947502	MSPZAZQSQZZTHD-QGOAFFKASA-N	360.461	4.932	50	20	FJGD	
CCCN(CC)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	728717523	ZOZATEWPYFIMBE-UHFFFAOYSA-N	365.399	4.699	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccsc1	731318421	IGXLHDINHLROGY-KEBDBYFISA-N	370.433	4.989	50	20	FJGD	
CC(C)(C)OC(=O)NN=C1CCCc2nc(-c3ccccc3F)sc21	731923248	BBSIOIOSTINYMG-UHFFFAOYSA-N	361.442	4.514	50	20	FJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1nccc2sccc12	734248386	LPEHJXAIWFGVMW-UHFFFAOYSA-N	370.437	4.592	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1	734303413	OELMLMRVRWSBFA-ATVHPVEESA-N	360.388	4.618	50	20	FJGD	
O=C(CCc1cc(Cl)cs1)NNc1ccnc2cc(Cl)ccc12	736666224	BYLMXPOJWZGBKK-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3C[C@H](C)C[C@@H](C)C3)s2)cc1	747750778	DXDDAZAOPPTCKT-CHWSQXEVSA-N	371.506	4.548	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CCSc2ccccc21	748017767	RLIBODKJCFUXIV-GFCCVEGCSA-N	353.274	4.716	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2ccc(F)cc2)cc1F	748550066	YHIVITBNOUDHPO-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1OC	749450619	AWMXAALGGAZMIJ-FMNVXAMXSA-N	353.393	4.801	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1OC	751446159	INILDUJNFHJRRR-NTUHNPAUSA-N	354.406	4.825	50	20	FJGD	
CCc1nc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)co1	753644617	VPRXHUOXCNCDKZ-ZDUSSCGKSA-N	364.776	4.709	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)[C@H](Br)C(C)(C)C)cc2)oc1C	767314144	VHVAGQUSXBEIRB-AWEZNQCLSA-N	365.271	4.707	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1Br)C(=O)c1c[nH]c2ccccc12	767718269	SONFHPRWXOFZSH-KPKJPENVSA-N	369.193	4.859	50	20	FJGD	
CC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773215614	QZEWIQLDCUPYFA-LLVKDONJSA-N	372.359	4.684	50	20	FJGD	
CCCCCn1nc(C)cc1NC(=O)NNc1cccc(C(F)(F)F)c1	775661305	ZFVQIXAKMDQVKY-UHFFFAOYSA-N	369.391	4.549	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c(C(C)(C)C)n1	780526941	KMAYEKDCTOMSFY-MDWZMJQESA-N	361.367	4.526	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1ccc(F)c(C(F)(F)F)c1	782180634	PMXXZDFKRITZGH-UITAMQMPSA-N	370.283	4.604	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cn1	788331550	NKSKSDUFUISRRA-LICLKQGHSA-N	361.470	4.931	50	20	FJGD	
COc1cc(C(=O)NN=C2CCC23CCCC3)ccc1OCCC(C)C	788704348	OLKWYPJJFMSAKP-UHFFFAOYSA-N	358.482	4.560	50	20	FJGD	
Cc1cc(NC(=O)NNc2c(F)cccc2Cl)nn1C1CCCCC1	810301029	NUBPQFBYUYLRIA-UHFFFAOYSA-N	365.840	4.638	50	20	FJGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1c(Cl)cccc1Cl	814833195	CFKPTQULRHULLI-UHFFFAOYSA-N	359.253	4.524	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cccc(-c3c(F)cccc3F)c2)cc1	817885742	MPECFOVAXMNNDN-UHFFFAOYSA-N	368.383	4.787	50	20	FJGD	
CCC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(NC(=O)NN(C)C)c1	819552058	PCPIZJLRZJDJNY-KRWDZBQOSA-N	374.529	4.610	50	20	FJGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)C12CC3CC(CC(C3)C1)C2	834925355	MARLXLJTKAJMKC-UHFFFAOYSA-N	358.526	4.577	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CC(C)(C)C)s2)cc1	834937419	NENASLFCJINBPW-UHFFFAOYSA-N	359.495	4.548	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2OC[C@@H]2CCCO2)o1	840722543	LNAVFUKCHCZPGY-KAKTVLCNSA-N	371.820	4.589	50	20	FJGD	
CN(Cc1ccc(C(F)(F)F)cc1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	916147377	RHNHPDUYKFRXGJ-RQZCQDPDSA-N	361.323	4.610	50	20	FJGD	
CC(CCc1ccccc1)=NNC(=O)CSc1nc2ccccc2s1	916304463	XNIMWRAMSGCIOE-UHFFFAOYSA-N	369.515	4.513	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)cc1OC	917515793	AJACETMDJSYNHA-VBKFSLOCSA-N	374.396	4.509	50	20	FJGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)c1cc(C)cc(C)c1	918713826	OJCYYMDOARZVAE-SXGWCWSVSA-N	370.246	4.864	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccccc1OCc1ccccn1	1317756991	TUWRQNMEMMAPBI-RGEXLXHISA-N	354.409	4.759	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1OC(F)F	1339432193	BKWCLWGXJIYUHQ-VPMLRQHESA-N	359.319	4.802	50	20	FJGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	7164756	NIOJGURIWKJKIO-XMHGGMMESA-N	365.392	4.896	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccccc1F	17700508	PEFBHYSJCHGBLA-CXUHLZMHSA-N	365.795	4.514	50	20	FJGD	
COc1ccc(-c2ccc(/C=C(\C#N)c3nc(C)cs3)o2)c([N+](=O)[O-])c1	20670500	OJEWKKWXGXTXCY-KPKJPENVSA-N	367.386	4.693	50	20	FJGD	
O=C(NN=C1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	45330638	LBPOTIOISJIILB-UHFFFAOYSA-N	364.474	4.515	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(-c2cccnc2)nc2ccccc12	120795994	LXUGTISCKVXNKA-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl	211664733	PURDBMXYVHVXBI-XGICHPGQSA-N	374.195	4.610	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(-c2ccncc2)cs1	588459333	IIHNCYLNPKUHPE-QPEQYQDCSA-N	368.805	4.831	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	727264146	OBLMTEKZTAGCSZ-UVTDQMKNSA-N	356.784	4.590	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1	728717225	YBRYKXQRGZQEBM-HUUCEWRRSA-N	354.759	4.606	50	20	FJGD	
C[C@@H]1CN(C)c2ccccc2N(C(=O)CCCC[C@@H]2CCSS2)C1	742093124	YZRVEQBICOPSQS-HZPDHXFCSA-N	364.580	4.820	50	20	FJGD	
N#C/C(=C/c1sccc1Br)C(=O)c1cccc(Cl)c1	764888872	ZOUONCCCUPDTJM-YFHOEESVSA-N	352.640	4.954	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccccc1CC(F)(F)F	768191873	PJUAGHZEZDUBPE-LLVKDONJSA-N	352.194	4.540	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2cc(Br)ccc2Cl)ncn1	773174877	ABCKSJOCKMVAJV-WMZJFQQLSA-N	366.671	4.679	50	20	FJGD	
C#C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCO1	775776504	GJAFNDRKFTVDBV-CHWSQXEVSA-N	370.343	4.646	50	20	FJGD	
CC(C)Cn1ccc2cc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)ccc21	776636949	MLAVWZUPWJMBLD-WQRHYEAKSA-N	359.429	4.549	50	20	FJGD	
N#C/C(=C\c1ccc2oncc2c1)C(=O)Nc1cc(Cl)ccc1Cl	821028854	XWOJMEYCDUPPLU-VZUCSPMQSA-N	358.184	4.680	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)s1)C(=O)NCc1ccco1	914786607	JMDKLUPAPGQTDC-UVTDQMKNSA-N	368.845	4.885	50	20	FJGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(Cl)s1	916359621	GZJMGIRGUIGENF-UHFFFAOYSA-N	374.849	4.728	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1	114112096	ZBGOYFYQXXEKIX-UHFFFAOYSA-N	369.852	4.783	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)c1cc2ccccc2o1	126171556	QAVIMMUDOKBWTR-ZROIWOOFSA-N	357.344	4.752	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC	195288501	PPTAHFBMEMYHLZ-GZTJUZNOSA-N	359.429	4.601	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc(OC)c1O	195288888	PNKBADVREZGONK-LICLKQGHSA-N	359.381	4.665	50	20	FJGD	
CCN(C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CC1	728387514	ATTLQPJIKPTZPJ-GFCCVEGCSA-N	352.809	4.922	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cnc3ccccc32)cc1)C(=O)c1ccc(F)cc1	730588974	NPEPZTZMWXEYEP-AQTBWJFISA-N	367.383	4.954	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccc(Oc2ccccc2)cc1	734250360	WMXQOFZRJDZJDM-UHFFFAOYSA-N	361.426	4.846	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)c1cccc(Br)c1	741767803	NKMQATJCHSIETA-UHFFFAOYSA-N	371.234	4.522	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1oc2ccccc2c1C	748740976	SOWAADNJIINRAO-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
C=CC[C@H](CO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752974117	AEOIRLLDRIYLQB-JTQLQIEISA-N	360.348	4.650	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2scnc2C2CC2)c(C)n1CC(C)C	762703637	BLKBHFIPDKMKSC-CAOOACKPSA-N	368.506	4.641	50	20	FJGD	
N#C/C(=C\c1cscc1Cl)C(=O)Nc1ccccc1Br	771838350	OXHSFUABFMBENR-WEVVVXLNSA-N	367.655	4.710	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2cc(SC)ncn2)c(OCCC)c1	773177281	UXMITPYANPZQKP-MHWRWJLKSA-N	369.490	4.840	50	20	FJGD	
Cc1c(C(=O)NNc2cc(Cl)ccc2Cl)cnn1C1CCCCC1	781348891	PKINTGIRQIOSIB-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
Cc1ccc2cc(C=NNC(=O)c3ccc(Cl)cc3Cl)ccc2n1	783510045	SPVLEMZXRWQJBR-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1Cl)C(=O)c1ccccc1F	789128245	OVYQZCYSYXSNBK-XNTDXEJSSA-N	365.795	4.514	50	20	FJGD	
CSc1cccc(F)c1C(=O)NNc1c(Cl)cc(F)cc1Cl	798491504	ZVHPUADBASLARV-UHFFFAOYSA-N	363.216	4.750	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(OC)c(OC2CCCC2)c1	799755882	MGDJCBIBYDYSKL-UHFFFAOYSA-N	368.477	4.644	50	20	FJGD	
N#CCCn1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c2ccccc21	810217600	IALJBEDUENJUQF-WJDWOHSUSA-N	359.816	4.998	50	20	FJGD	
ClCCCOc1ccc(CNCc2ccccc2Br)cc1	811476920	WRHQNBZUTHKCDQ-UHFFFAOYSA-N	368.702	4.747	50	20	FJGD	
C[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)Cc2ccccc2O1	816723259	RPUJBAPFNCYSRX-HOCLYGCPSA-N	351.537	4.510	50	20	FJGD	
O=C(NC[C@H](CO)CC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	822461300	XJUPMKOICPRORE-LLVKDONJSA-N	374.375	4.874	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@H]1CN	841178295	CCRHMIMPRORXCQ-WDEREUQCSA-N	373.391	4.793	50	20	FJGD	
CCCN(N=CC1CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C	853344928	XDNSKHXCOHHQHW-UHFFFAOYSA-N	359.514	4.532	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1OC	916131840	OGWQOPNNNFESIP-ATVHPVEESA-N	361.401	4.598	50	20	FJGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)c2ccccc2F)cc1	920359910	IRDWBQUVWIDUJF-BOIWZDLQSA-N	354.425	4.519	50	20	FJGD	
N#C/C(=C\c1ccc(/C=C\C(=O)O)o1)c1nc2cc(Cl)ccc2s1	1777566168	SLECMYRRILPODK-BSAFSDHNSA-N	356.790	4.705	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cccc(Cl)c3)c2C(C)C)cc1	46334172	NBMFAQMKOWCNFQ-UHFFFAOYSA-N	368.868	4.714	50	20	FJGD	
CC(=O)Nc1ccc(Cl)cc1NC(=O)CCCC[C@@H]1CCSS1	122702335	QJWDIBRLGHLIBV-CYBMUJFWSA-N	372.943	4.951	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3cc4ccccc4s3)[nH]c(=O)c2c1C	125066596	INLCNWVYBZHQLT-MDWZMJQESA-N	363.467	4.880	50	20	FJGD	
N#Cc1ccccc1Sc1ccc(C(=O)NNc2ccccc2F)cc1	153070904	YABXACNGUGCGJO-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1	171988539	KMIVSFABQPKCMR-LFYBBSHMSA-N	354.416	4.547	50	20	FJGD	
N#C/C(=C\c1sccc1Cl)C(=O)Nc1ccccc1Br	195228122	DMYJVCJHHMODKC-VQHVLOKHSA-N	367.655	4.710	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(F)c(C)c1	209783659	LEPITUCBPVDRKO-RIYZIHGNSA-N	358.800	4.650	50	20	FJGD	
CC(C)(C)c1csc(CNC(=O)CCCC[C@@H]2CCSS2)n1	729440410	OTEUOGAVLWJYAN-GFCCVEGCSA-N	358.598	4.771	50	20	FJGD	
C[C@H]1c2c(F)cccc2CCN1C(=O)CCCC[C@@H]1CCSS1	737966221	WTSYFAUDKFLLBS-DZGCQCFKSA-N	353.528	4.986	50	20	FJGD	
CC[C@@H](CC(=O)NNC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1	738555864	MNYPKBXGBMMZCC-KRWDZBQOSA-N	369.534	4.513	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1	742110796	COVWBOXXNJDMEY-ZXCVEJAOSA-N	374.484	4.644	50	20	FJGD	
O=C(NNc1c(F)cccc1F)/C(=C\c1ccc(F)cc1)c1cccs1	748161494	MFMIAKVYQLPVCY-KAMYIIQDSA-N	374.387	4.849	50	20	FJGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	751059087	SSSOFAGMRQRQNC-UHFFFAOYSA-N	369.852	4.822	50	20	FJGD	
C[C@H](CC(=O)NNc1ccccc1C(F)(F)F)c1ccc(F)cc1F	751583828	CQPHHYVJUJEKPY-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1	752810769	FLAOVLLSGIUIAC-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1cccc(Br)c1	759659755	PYPTWVOTVPATRM-DHZHZOJOSA-N	365.658	4.649	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)no1	767917239	OPHZFEUCAWXIAA-UVTDQMKNSA-N	357.291	4.699	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)s1	790603633	NHWKUELHBNHHHY-IZZDOVSWSA-N	353.422	4.851	50	20	FJGD	
COC[C@@H](C)Nc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	798051110	YZJSCYOUGGETRQ-HUUCEWRRSA-N	368.568	4.786	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3c(c2)CCCCC3=O)cc1	810980182	BYEAQHGXLIZNDK-UHFFFAOYSA-N	350.462	4.650	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(C(F)(F)F)nc1Cl	812765634	PNYXFUJCXHMKQI-UHFFFAOYSA-N	371.790	4.943	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H](c1cccs1)C1CC1	916233470	ZUFQYZZPZXRDAJ-CQSZACIVSA-N	356.278	4.832	50	20	FJGD	
CCCOc1c(Cl)cc(C=NN(C)C(=O)OC(C)(C)C)cc1OCC	920381098	KYEPOTQGZGIVMO-UHFFFAOYSA-N	370.877	4.728	50	20	FJGD	
CCCC[C@@H](NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776776066	BKOMEZZPJMIVHH-QGZVFWFLSA-N	351.563	4.804	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1O	7165246	APBSPLHKUPXHFR-WLRTZDKTSA-N	361.228	4.862	50	20	FJGD	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1	96998123	BFXZFJJAHHAUFH-YHYXMXQVSA-N	357.778	4.628	50	20	FJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)Nc1ccccc1F	113006458	WJVOBOFGHUXMLU-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)c1ccc(Cl)cc1F	179607030	WOJBCNLRPAZQAR-KPKJPENVSA-N	365.738	4.913	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1OC(F)F	191362121	QXADCBAVFYRPSG-NTEUORMPSA-N	367.355	4.694	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@@H]1CO	192262223	SDSOJKLLZPWNKB-JOYOIKCWSA-N	360.348	4.579	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cccnc2Sc2ccccc2)c(C)c1	743764813	RMTWUMDDDORJOW-UHFFFAOYSA-N	363.486	4.915	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC	747062030	RRRPPRNRPQJFCJ-LICLKQGHSA-N	350.374	4.622	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	751792586	VHTVTRRHBBOPOO-XNTDXEJSSA-N	360.392	4.515	50	20	FJGD	
COc1c(Cl)cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1Cl	751875123	LVNCSHGFEQWMDV-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)Nc1ccccc1Br	755586646	CEZSVAKVTIWKEC-GXDHUFHOSA-N	355.235	4.612	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@H](CCO)C1	762974357	FNDUCTUMNFFJNB-LLVKDONJSA-N	374.375	4.970	50	20	FJGD	
CC(C)Cc1csc2nc([C@H]3CC[C@H](Br)C3)nc(O)c12	765983315	SYCPVJUNTVJGLZ-ONGXEEELSA-N	355.301	4.626	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)CC(F)(F)F)c(C)n1CCC(C)C	766605628	OGVGFHRJWUAUMV-ZLYHGVDXSA-N	369.431	4.515	50	20	FJGD	
CC(C)OCc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	769983582	PWMVVBOVKPLOQB-UHFFFAOYSA-N	367.371	4.779	50	20	FJGD	
C[C@@]1(C2CC2)NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771861108	NUKUAIRKLXICHZ-ZDUSSCGKSA-N	356.316	4.569	50	20	FJGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1cc(Cl)cc(Cl)c1	791731534	CNEDRFWTKVKNAD-AATRIKPKSA-N	364.257	4.760	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC(C(F)F)CC2)c(C)n1-c1ccccc1	799466760	OXJVEOIYGLZPNO-UHFFFAOYSA-N	359.420	4.635	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	812246528	NPIGZQMUEPRXRA-RIYZIHGNSA-N	354.335	4.863	50	20	FJGD	
N#C/C(=C\c1ccc2oncc2c1)C(=O)Nc1cccc(Cl)c1Cl	821032353	SFWCORFWWLKCGL-IZZDOVSWSA-N	358.184	4.680	50	20	FJGD	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	6410396	GLMBYRPEWOAEML-SDNWHVSQSA-N	374.412	4.946	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OC)cc1	6854020	DPPNCAOFFMRQSL-NBVRZTHBSA-N	364.445	4.592	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1OC(C)C	7164440	KQFUWRVMFQSERT-LDADJPATSA-N	364.445	4.645	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	8117330	VSGVLANZWLTVDB-XEEJTXMPSA-N	360.335	4.967	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1Cl	43079611	VXKALLKOKWJFOH-BJMVGYQFSA-N	353.155	4.817	50	20	FJGD	
CN(CCN(C)C1CC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184637622	NYOKYJIJAUMUKA-UHFFFAOYSA-N	373.391	4.902	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1	193338117	SSVRRVYNHBFNER-UYRXBGFRSA-N	357.369	4.633	50	20	FJGD	
O=C(NN=Cc1cccc(Cl)c1Cl)c1cccc(Br)c1	252462168	QIVJAQYSVHATDZ-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1C	728286859	JPNOXTCDWGCTET-CXUHLZMHSA-N	371.868	4.641	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730149547	BEQXYMKYAQPYRO-GHXNOFRVSA-N	369.377	4.806	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)c1nc(-c2ccccc2)no1	733206892	RTJHIUIRCCWJQC-MDWZMJQESA-N	359.282	4.959	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1	734303414	OELMLMRVRWSBFA-SFQUDFHCSA-N	360.388	4.618	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)C(=O)C(C)(C)C)c1	759645481	YHMCUIGJDFAYSW-WJDWOHSUSA-N	365.477	4.836	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ncoc1-c1ccc(F)cc1	771424515	VCVQFZHFZOWAPH-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1	772805551	HAZULAWJMXOECW-VZUCSPMQSA-N	352.262	4.529	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(C(F)F)ccc1Cl	775678811	WYYXVYMYVNZGGE-UHFFFAOYSA-N	362.767	4.974	50	20	FJGD	
CC(=NNC(=O)c1cccc2ncccc12)[C@@H]1C[C@H]1c1ccc(Cl)s1	788430572	YTBQIHHGOPXSOB-LSDHHAIUSA-N	369.877	4.859	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc2ccc(Br)cc2n1	794873839	HRIRPDYGMPMIDJ-UKTHLTGXSA-N	357.251	4.910	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	794934648	LPBNRSVAUQYQPV-ATVHPVEESA-N	369.453	4.763	50	20	FJGD	
C=CCOc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	803376540	GSYYTYPZZUXIRJ-KRWDZBQOSA-N	351.537	4.582	50	20	FJGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1csc2ccccc12	812457913	XLJOZKQGZZLTJN-UHFFFAOYSA-N	360.438	4.584	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CC[C@@H]1C1CCC1	814761022	LTORDPFFYBBZPP-CQSZACIVSA-N	373.909	4.947	50	20	FJGD	
Cc1nc(C#N)c(C#N)n1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	829463138	GZIXRUZRABTXDN-UHFFFAOYSA-N	366.541	4.505	50	20	FJGD	
Cc1ccnc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1	843063432	ZXLWUTQLMHSJRH-CPNJWEJPSA-N	362.477	4.859	50	20	FJGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	843543204	NUWXWNWALUQVMZ-LBPRGKRZSA-N	357.281	4.527	50	20	FJGD	
COCc1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	915361574	KELXIPSDLFLLEQ-UHFFFAOYSA-N	361.445	4.576	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(F)cc1	917004341	ROCLCQLMGIGGTG-UHFFFAOYSA-N	356.422	4.710	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Cn2cccc2)cc1	1319482212	IWZAJEDTBFMTJT-UHFFFAOYSA-N	360.244	4.600	50	20	FJGD	
COc1ccccc1C1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCC1	1320060833	NYSHPTVRCLBCGN-UHFFFAOYSA-N	352.478	4.558	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3ccccc3F)o2)c1C	1322116872	UWNDWENADCXZOK-WJDWOHSUSA-N	350.397	4.768	50	20	FJGD	
Cc1ccc(-c2nnc(/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)o2)o1	1325811759	XMQDOWWSQQZEQT-RQZCQDPDSA-N	350.422	4.777	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776751262	DGYLRBUJBUGFKA-SVZNOHIVSA-N	361.441	4.893	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(Cl)cc1F	124390497	JZWBZMJXVDQKEC-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)c1ccco1	732577630	PKOOMOGFDBTUED-FMIVXFBMSA-N	372.211	4.870	50	20	FJGD	
CSCC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	736056647	KHKMKVOPWRGVKZ-CCNLRRDASA-N	373.566	4.775	50	20	FJGD	
Cc1cc(CNC(=O)NNc2ccccc2Cl)c2[nH]c(C)c(C)c2c1	749016347	ZDSOLLKWRRYQHZ-UHFFFAOYSA-N	356.857	4.573	50	20	FJGD	
COc1ccc([C@H]2CCN(C(=O)CCCC[C@H]3CCSS3)C2)cc1	749857057	AHXJXWQQPRFLKC-WMZOPIPTSA-N	365.564	4.725	50	20	FJGD	
CC(C)CCn1cccc1C=NNC(=O)c1ccc(Cl)cc1Cl	755581379	MLVFMKYNPPNTSF-UHFFFAOYSA-N	352.265	4.605	50	20	FJGD	
CC(C)(C)C1=CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1	759263156	KHVVTGDEVOOGJK-UHFFFAOYSA-N	367.473	4.679	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1c(Cl)cccc1N1CCCC1)c1ccccc1	763362252	CGJSRPCMEZBXFA-KRWDZBQOSA-N	369.896	4.584	50	20	FJGD	
O=C(NNc1ccc(F)cc1Br)Nc1cccc(C(F)F)c1	769994055	SAKQELRINWZQNV-UHFFFAOYSA-N	374.160	4.674	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)Nc1cc(Cl)ccc1Cl	772806088	JXZCZBZXULBTGZ-SDQBBNPISA-N	360.175	4.550	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1sccc1-c1ccc(F)cc1	777465268	IQESSNQGQGUBIP-UHFFFAOYSA-N	363.417	4.859	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1cc(Cl)cc(Cl)c1	777871655	LDVSHKWYVPBRDJ-JYOAFUTRSA-N	365.147	4.831	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccc(F)cn1	783865438	BYUQNVGAPHTZLV-CYBMUJFWSA-N	364.751	4.692	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)c1nc(-c2ccc(C)cc2)no1	787167562	DCESHNWNCUASPR-ODXRKRKHSA-N	372.384	4.964	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3ccc(F)c(Cl)c3)sc2c1	788687098	DISGQCOPRMQXGO-YRNVUSSQSA-N	372.808	4.887	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1ccc2ncccc2c1	794965001	NDBJIWJDLGQVGC-LFIBNONCSA-N	368.371	4.554	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1OCC	812245509	SNDVWSLLOOPSOX-LFIBNONCSA-N	367.405	4.632	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Br	834444386	BIAGYVQYQMCNCS-UITAMQMPSA-N	364.136	4.692	50	20	FJGD	
CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	836498049	HFCCJJKXOZUWIY-GFCCVEGCSA-N	373.391	4.902	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccccc2CSc2nc(C)cs2)c1	912635916	UFMIQIYOYJYUFI-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
O=C(CCOc1ccccc1-c1ccccc1)NNc1cccc(Cl)c1	914782809	CFGZNRVVFSXEOF-UHFFFAOYSA-N	366.848	4.919	50	20	FJGD	
COc1cccc2cc(CNC(=O)CCCC[C@H]3CCSS3)oc12	1318249402	CLNVKEPTRSZGCJ-HNNXBMFYSA-N	365.520	4.772	50	20	FJGD	
CC(C)N(N=Cc1csc2ccc(C(=O)O)cc12)C(=O)OC(C)(C)C	1776110553	HQFIPMNCFULDGX-UHFFFAOYSA-N	362.451	4.579	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(OC)c2)CC1	1776778821	AKSORRQGKJQOOK-LDADJPATSA-N	369.461	4.866	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC(C)C	7740768	TYWOZFHFOOOXJS-LICLKQGHSA-N	352.390	4.702	50	20	FJGD	
CC(=O)Nc1ccc(C)cc1NC(=O)CCCC[C@@H]1CCSS1	68191859	HOBMBHYUDBNDBB-CQSZACIVSA-N	352.525	4.606	50	20	FJGD	
Cc1cccnc1[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)C	115406628	ITQGNZPIHOWRPH-WBVHZDCISA-N	352.569	4.917	50	20	FJGD	
C=CC[C@@H](C)NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181682608	RZZDNXPISIGIAB-SECBINFHSA-N	351.362	4.587	50	20	FJGD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184418055	FOESSJNMFFWSNX-GWCFXTLKSA-N	374.375	4.969	50	20	FJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)Nc1ccccc1Cl	209133446	HTIGJIKAGTYGEJ-YHYXMXQVSA-N	367.655	4.710	50	20	FJGD	
COCCn1cc(CNc2cccc(S(F)(F)(F)(F)F)c2)cn1	273811932	BAYBVWYBKMCBFH-UHFFFAOYSA-N	357.348	4.799	50	20	FJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccc(F)cc1Br	727254924	DAUCRXMCUVXXER-LLVKDONJSA-N	355.251	4.664	50	20	FJGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1c(C)nn(C(C)C)c1C	727779297	WJUXKYTWLJQUJR-UHFFFAOYSA-N	367.280	4.542	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CCC(C(C)C)CC2)cc1OC	729636441	IUADBFFEDUMNDP-UHFFFAOYSA-N	360.498	4.806	50	20	FJGD	
O=C(NNc1nccc2sccc12)[C@H]1C[C@@H]1c1cccc2ccccc12	734250054	NZXUNFKRQPEQGP-MSOLQXFVSA-N	359.454	4.696	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(cnn3C(C)C)c2)cc1	735293933	ZBJQAHFLQGOJTE-GZTJUZNOSA-N	374.444	4.562	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2ccc(CCC)cc2)cc(OC)c1O	747033593	HORNRHJRBDRUHI-DEDYPNTBSA-N	361.441	4.872	50	20	FJGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cc(Cl)ccc2Cl)c1C(C)C	753657091	WFEBKKXJTHPDCV-UHFFFAOYSA-N	368.264	4.713	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(F)ccc1Br	761176015	HKCZILQQVJBEMK-IZZDOVSWSA-N	350.212	4.748	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(COCC2CC2)c1	771128224	RFZGWUBWNXTUMJ-UHFFFAOYSA-N	363.820	4.554	50	20	FJGD	
CCc1c(C(F)(F)F)noc1NC(=O)CCCC[C@H]1CCSS1	773136454	IAGRQSKSRYMMQG-VIFPVBQESA-N	368.446	4.908	50	20	FJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1OC(F)F	794885939	XDHMFCQGNFTRSK-GZTJUZNOSA-N	364.351	4.935	50	20	FJGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1c(Cl)cccc1Cl	815817717	GLQRLEKAQCYYES-UHFFFAOYSA-N	352.265	4.831	50	20	FJGD	
O=C(NNc1ccccc1F)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	815850758	BLMRKLGGDFWIDG-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
CC(C)c1ccc(NNC(=O)CCCCC(=O)c2ccc(F)cc2)cc1	837056559	AYSFCCPXBVOYKT-UHFFFAOYSA-N	356.441	4.836	50	20	FJGD	
COC(=O)[C@H](C)c1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	839821380	RTLRQJVKVNGYMU-CZUORRHYSA-N	367.536	4.616	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3n2)c1C	843146173	DIMKHULDZYZNBE-CPNJWEJPSA-N	358.445	4.609	50	20	FJGD	
CC(C)(C)c1nnc(CN2CCCC[C@@H]2CO[Si](C)(C)C(C)(C)C)o1	844350065	NKKLMTBJUFQHAN-OAHLLOKOSA-N	367.610	4.743	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN2CCC3(CC2)COCCO3)c1	896034841	YAYVTRWUZWKJNO-UHFFFAOYSA-N	373.387	4.725	50	20	FJGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	915283102	HQWCRWYLOSZPGK-RHLNUJDMSA-N	373.541	4.504	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cccc(C(F)(F)F)c1	916273647	PQDPKTMPVKLQPU-UHFFFAOYSA-N	372.799	4.601	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cccc3c2OCCCO3)cc1	917142785	POBPBWYRBYSYGS-NBVRZTHBSA-N	361.441	4.935	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c1	918712954	DTPINIBCNWRXCS-OVCLIPMQSA-N	356.219	4.561	50	20	FJGD	
COc1cc(OC)cc(-c2nnc(CCCC[C@H]3CCSS3)o2)c1	1253859796	ZCNDUKPSGHXWNW-HNNXBMFYSA-N	366.508	4.620	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)s1	1326775867	GRUCEKXLDRMUAZ-GDNBJRDFSA-N	363.394	4.805	50	20	FJGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	1332889549	UNRKTJKKSNQGLM-NSIKDUERSA-N	360.196	4.570	50	20	FJGD	
Cc1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)c(Cl)n1	1344761016	BIPZCQICVLAJIY-UHFFFAOYSA-N	366.852	4.787	50	20	FJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)c1ccc(F)cc1	18918324	VDCUHVNXURVNHC-NBVRZTHBSA-N	367.383	4.930	50	20	FJGD	
COc1ccc([C@H](C)N(C)C(=O)CCCC[C@@H]2CCSS2)cc1	115602499	ABSHWTHDENJGFG-WMLDXEAASA-N	353.553	4.929	50	20	FJGD	
O=C(CC[C@H]1CCCO1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	129674663	VDWZHBRKFOYQMI-YGRLFVJLSA-N	367.820	4.804	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccncc2Cl)c1	135871943	IARCVIYNPJCUTA-UHFFFAOYSA-N	361.898	4.835	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCCBr)c(Cl)c1	177890372	JURGXIGNESCLPZ-WQLSENKSSA-N	370.674	4.636	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1Oc1cccc(F)c1	188251503	KJGWREBKRRBSHF-VBKFSLOCSA-N	374.371	4.869	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Nc2ccccc2)c1	188476850	UWKVTEJNHXLFQW-GHRIWEEISA-N	355.397	4.681	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	728785783	MRKOTJVCCGIYRY-NVNXTCNLSA-N	370.387	4.795	50	20	FJGD	
Cc1cccc(NNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1	732893387	OPXCZEWBDUIXNP-UHFFFAOYSA-N	355.441	4.755	50	20	FJGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1ccccc1OC	734299194	KELGIGAEDJRVID-UHFFFAOYSA-N	362.882	4.637	50	20	FJGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1ccc(Cl)c(Cl)c1	746689256	GBCANSPQVKDUKR-SECBINFHSA-N	366.273	4.850	50	20	FJGD	
CSCc1c(C(=O)NNc2ccc(Cl)c(F)c2)oc2ccccc12	746699221	ZYPGWFITOXRQFW-UHFFFAOYSA-N	364.829	4.845	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2coc(-c3ccc(C)cc3)n2)cc1	748440640	LNKJJEVXVZRKES-LDADJPATSA-N	357.413	4.758	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)Oc1ccc(F)cc1	748669126	CDSGHVUEBKVTAN-ZDUSSCGKSA-N	372.465	4.930	50	20	FJGD	
Cc1c(C(=O)NNc2ccnc3cc(Cl)ccc23)cnc2ccccc12	748837318	FTJUHQRORXZHMH-UHFFFAOYSA-N	362.820	4.502	50	20	FJGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC(OCC2CCCCC2)CC1	750052213	WAYVXFCGOUYEBH-FBHDLOMBSA-N	369.465	4.521	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(F)c2)c1C	754681086	VVQNSWUFYLOUTB-ZSOIEALJSA-N	360.335	4.590	50	20	FJGD	
O=C(NNc1ncccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1	769925377	NHJJPCWSTCRSJZ-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1C	772177379	SYDTXXWVRIOCCK-QPEQYQDCSA-N	361.228	4.856	50	20	FJGD	
CC(C)[C@@H]1CCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773724802	WBSNHHKBVBHCJX-LBPRGKRZSA-N	372.359	4.539	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)n([C@@H](C)CC)n2)c1C	775875317	LMWLFGADNBOUAB-YQNUULROSA-N	367.497	4.537	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Br)c1)C(=O)C1CCCC1	781554691	TVSPGJQQTLYWRR-KPKJPENVSA-N	370.193	4.717	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(F)c2cccnc12)c1ccccc1	787141206	JYDIALBZMILCKI-NXNYUAIASA-N	359.404	4.548	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn([C@@H](C)CC)c2C)c1C	791569801	UKYBUVSLZZAYQC-KVMVOAJRSA-N	367.497	4.537	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cc1	798982724	OEBMHLOVXXWHHI-VIFPVBQESA-N	360.738	4.745	50	20	FJGD	
COCCOCc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	809146321	OKTMCKYQJAHUFM-BOPFTXTBSA-N	356.491	4.668	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCc3ccncc32)c(C)n1C1CCCCC1	813512552	WDSZOFFERLVNGV-DEDYPNTBSA-N	374.488	4.501	50	20	FJGD	
C[C@H](NNC(=O)c1cc(Cl)ccc1SC1CCCC1)C(F)(F)F	862319265	ZQHXQKZFWVSRJV-VIFPVBQESA-N	366.836	4.560	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OC)ccc3ccccc23)cc1	915847496	ZDNAFSWSVMWBRL-VKAVYKQESA-N	372.424	4.793	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)cc1	920157172	NJEYZORYHZCZKT-QQFZQELXSA-N	357.356	4.575	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1F	1319571767	JWBRYJHBUZGYGA-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccccc1C(F)(F)F	14177851	YDJBIYODJVVZKF-VQHVLOKHSA-N	356.756	4.966	50	20	FJGD	
CCCN(C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	183502158	XLTCSKCNRFVZGG-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193093249	DZINFDQEBXMYDB-NXEZZACHSA-N	374.375	4.833	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc(Cl)c1O	194540972	DTUABMQUXOIESJ-KGVSQERTSA-N	363.747	4.512	50	20	FJGD	
CC(C)(C)n1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1	194578577	CQSOXGKYNBUWPA-CAOOACKPSA-N	359.458	4.697	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1	726118317	LRMQYGSUZYRDCF-ATVHPVEESA-N	351.402	4.645	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(Cl)ccc1F	753692194	ZQCBLESPHXALHX-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(Cl)ccc2Cl)cc1	753715331	QZOXETDYQUNMOE-OQLLNIDSSA-N	352.242	4.640	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1	754147613	BCLKJHIAQRHLHG-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1ncccc1C(F)(F)F	754249061	VFCXOQZJQDIADW-OLZOCXBDSA-N	363.383	4.533	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)C(=O)C1CCCCC1	757921520	WUFKKUNUJSOULW-RIYZIHGNSA-N	355.331	4.823	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(Cl)nc3Cl)n2)cc1	761479886	XBHVUCJVZBHFQK-JYRVWZFOSA-N	357.200	4.811	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2-c2cc3ccccc3o2)cc1	764892020	QMPRGXTYBXMNKM-WQRHYEAKSA-N	367.408	4.932	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1cc(Cl)ccc1Cl	767717327	LKBCJSPYZHLLSW-YCRREMRBSA-N	371.145	4.956	50	20	FJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C\C#N)c2ccccc2)CC1	772378643	OFJCGTYHLRUJHB-MTJSOVHGSA-N	356.473	4.800	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)ccc1OC	773155673	WIQPSHVEAWUEGD-ZSOIEALJSA-N	359.784	4.676	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	774557326	CXEMILVHRFWSIC-BOPFTXTBSA-N	352.390	4.765	50	20	FJGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1cccc2ccccc12	794911709	NVWSJTZDOLDFST-UHFFFAOYSA-N	352.384	4.857	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	798345104	QXGHPPTZYITMNO-AWNIVKPZSA-N	352.825	4.697	50	20	FJGD	
Cc1ccc(-c2nnco2)cc1NC(=O)NNc1c(C)cccc1C(C)C	812936126	KJQQSWURSOGWCG-UHFFFAOYSA-N	365.437	4.625	50	20	FJGD	
Cn1ncc(C2CC2)c1/C=C(\C#N)c1nc2cc(C(F)(F)F)ccc2s1	849243164	GULYRHSEITXBLG-IZZDOVSWSA-N	374.391	4.990	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2	855366952	NEAQTYMDXVTRHA-NLKGSNSHSA-N	370.390	4.726	50	20	FJGD	
COc1cc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)ccc1OC(C)C	916349432	YGXRENXKRYYKKF-HZPDHXFCSA-N	358.482	4.559	50	20	FJGD	
C[C@@H]1C(=O)CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	930844496	BWQUWAKNWCATCE-SECBINFHSA-N	358.332	4.929	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2c(F)cc(C(=O)O)cc2F)cc1	1776271657	RPDTXZAXVWFTLU-RIYZIHGNSA-N	369.367	4.750	50	20	FJGD	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)c3ccccn3)cc2)cc1	35305068	LOZDAURZLVYJKP-ZHZULCJRSA-N	370.408	4.511	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cn(C)nc1-c1cccs1	93872836	LKXDPHUHSUHFBG-GXDHUFHOSA-N	372.453	4.728	50	20	FJGD	
C=CC(=O)Nc1cc(NC(=O)CCCC[C@@H]2CCSS2)ccc1F	136613833	KOKUKUWBKUXTIY-CYBMUJFWSA-N	368.499	4.603	50	20	FJGD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1cccc(Cl)c1	176921372	MZGGXBLFMFAWCK-UHFFFAOYSA-N	368.868	4.580	50	20	FJGD	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CCCC[C@@H]2CCSS2)C1	182178707	KTVXPPYYQFIIGT-OIISXLGYSA-N	350.553	4.705	50	20	FJGD	
CCOCCO[C@@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186077065	LYLCZBOWXBKNAY-JTQLQIEISA-N	363.348	4.724	50	20	FJGD	
C[C@H](Sc1ccccc1F)C(=O)/C(C#N)=C1/Nc2ccccc2S1	210452101	MERIECSQQVFASJ-YXQUIRMVSA-N	356.447	4.828	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c(Cl)c1OC	303258903	CZEPCNQOCWWGFM-YBEGLDIGSA-N	355.821	4.764	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CCC(C)(C)O3)c1C	731562404	BGPNXBIXFYATPE-CPNJWEJPSA-N	360.457	4.953	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Oc2ccncc2)c(Cl)c1	733950685	XACOFBQRZWDHAN-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2sc(C)nc2-c2ccccc2)c(C)c1	743763597	RBJISHAXKLCKAA-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1ncccc1C(F)(F)F	754249063	VFCXOQZJQDIADW-STQMWFEESA-N	363.383	4.533	50	20	FJGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	761591831	WVUCMYWNNXUREX-LBPRGKRZSA-N	368.355	4.519	50	20	FJGD	
Cc1cc(Cl)ncc1NC(=O)NN(Cc1ccccc1)c1ccccc1	766258214	GPCFFIAHYGGWQI-UHFFFAOYSA-N	366.852	4.787	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc2c3ccccc3n(C)c2s1	771701969	RJBGKKYKOJKKRJ-UHFFFAOYSA-N	353.422	4.597	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1	775730803	INYUMXNVGHHWSJ-RXEMRJGZSA-N	360.791	4.556	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)NCc1cccc(Cl)c1	786055984	KKYKYCZEKJADKH-DHDCSXOGSA-N	371.893	4.677	50	20	FJGD	
Cc1cccnc1NNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F	791212863	VQQXHJGTZHOBQV-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2cc(Cl)ccn12)c1cnc2ccccc2n1	794716376	ZWBUFECWQJOEOM-XFFZJAGNSA-N	366.211	4.648	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	794870290	SJVVEPLCYKNKDD-LGMDPLHJSA-N	366.424	4.760	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccnc1	794952747	IQGYMLZZTFNHPR-WOJGMQOQSA-N	364.445	4.581	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1	914834878	HCXIQDTZXKPXAJ-UHFFFAOYSA-N	374.488	4.650	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCCC(=O)c2c(C)cc(C)cc2C)c1	917366257	LQBCEAFKDFUNCV-UHFFFAOYSA-N	352.478	4.725	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCCO3)c1	918714437	VMUHQOWDDGGVKM-RQZCQDPDSA-N	367.832	4.908	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)cc(Cl)c1	921138369	HEQWWRQUBQGIDA-WLRTZDKTSA-N	360.196	4.554	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCc1c(F)cccc1Cl	1179698023	YXEJFJOBTLMTPX-LBPRGKRZSA-N	361.935	4.852	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccccc2C)cc1OC	1317704159	KBXIXSXXYOCNKK-DHDCSXOGSA-N	355.821	4.846	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1-c1ccccc1	1339817633	JKNJYMZIPUUCIN-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
CC(CC[C@H]1[C@@H](C)CCCC1(C)C)=NNC(=O)c1ccc(C(=O)O)cc1	1776101283	AFIAKXKAXSFHJT-KSSFIOAISA-N	358.482	4.733	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12	36226659	MAYQJSIPEBKLOX-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2	184431411	GGSCUZJGXSNJRA-JLLWLGSASA-N	358.332	4.785	50	20	FJGD	
CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	193527835	UAGNGACMOYPEPA-SNVBAGLBSA-N	372.359	4.541	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ncc(-c2ccccc2)[nH]1	588514589	KQWOHOXLNKCTEX-XNTDXEJSSA-N	362.820	4.584	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)c1nc(-c2ccccc2)no1	727975008	RZUAZUUINOWHNL-NTEUORMPSA-N	357.291	4.699	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1OC	732715866	AWCICCWVTGCOKS-CQUHBBLWSA-N	370.493	4.571	50	20	FJGD	
CC(C)(C)c1ccc(CCC(=O)NNc2nccc3sccc23)cc1	734248713	ZZSASAIZMFLIRB-UHFFFAOYSA-N	353.491	4.670	50	20	FJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	734980192	GNTLIRIFDDSKOM-YRNVUSSQSA-N	350.212	4.748	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735616674	CUOHVETZTGERLR-XDHOZWIPSA-N	367.456	4.797	50	20	FJGD	
CC[C@@H](NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(F)cc1	738416013	HIENAZOEPZUADU-YCRPNKLZSA-N	366.436	4.518	50	20	FJGD	
CO[C@H](CNC(=O)CCCC[C@H]1CCSS1)c1cccc(Cl)c1	742865384	NTNQQNLNLIWDCB-JKSUJKDBSA-N	373.971	4.858	50	20	FJGD	
CCCN(CC)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	749567064	GRWGPSSNQHZCCR-UHFFFAOYSA-N	365.399	4.699	50	20	FJGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1cc(F)c(F)c(F)c1	757391372	XXHHYTCMYKGIPP-UHFFFAOYSA-N	365.399	4.627	50	20	FJGD	
CSCc1ccccc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	760083490	CDNLNIYHARQZIO-UHFFFAOYSA-N	371.384	4.597	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccc(Br)cc1C)c1ccc(F)cc1	764268519	WHVWONFPFJYQRN-OAHLLOKOSA-N	365.246	4.534	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c2ccccc21	769723745	BLOLUBYHXIOJSQ-PTNGSMBKSA-N	354.413	4.636	50	20	FJGD	
COc1ccccc1-c1cccc(NC(=O)NNc2ccccc2F)c1	770031265	RTVNRIXJMSILKI-UHFFFAOYSA-N	351.381	4.650	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(COc2ccccc2)c1	787123587	BSNMNBKNKIXPRK-UYRXBGFRSA-N	370.408	4.517	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1C	792483710	SRTNWNSDBDSZGE-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
O=C(NN=C1CCC2(CC1)CC2)c1cc(-c2ccncc2)nc2ccccc12	792631468	KKSANVZPJFVNSB-UHFFFAOYSA-N	370.456	4.737	50	20	FJGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	792775638	LVBKQTKVXMKFAO-GXSJLCMTSA-N	365.688	4.685	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812248539	ONNLFXRKHPGWLX-NTUHNPAUSA-N	370.334	4.563	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccc(OCC)cc2)c(Cl)c1	817925808	RFCXJDONPVTXMM-UHFFFAOYSA-N	362.857	4.675	50	20	FJGD	
N[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	818632222	AGRJONHSNVUMBV-VXGBXAGGSA-N	359.364	4.735	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2cc(F)cc(Cl)c2)c1C1CC1	822250868	AQUMVUBVBXFAIM-SNVBAGLBSA-N	365.840	4.673	50	20	FJGD	
CCCN1C[C@@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1=O	839724707	BKSUSMNMNVDWPE-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1OC(=O)CC	840719509	USGXHJCSZUOBAH-GDNBJRDFSA-N	369.442	4.561	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1c(F)cccc1F	1116096438	PDDVYJRVUUSDTK-UHFFFAOYSA-N	357.360	4.500	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3cccs3)s2)ccc1Cl	1322350999	ILLRLMJTSSNRDN-UHFFFAOYSA-N	364.879	4.896	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c[nH]c3ccc(C(=O)O)cc23)cc1	1776127107	IAMOLGCZJWWXDF-LICLKQGHSA-N	358.397	4.608	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1ccc(/C=C/C(=O)O)cc1	1776384095	MNCIZPQZUXJXGP-FEYWXZCKSA-N	357.413	4.779	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)c1ccc(Br)s1	107067091	YGJWYDGILAKQEC-UITAMQMPSA-N	354.175	4.579	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3ccc(F)cc3)c(F)c2)c(F)c1	171736413	CYCLBDSGXAKCMT-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
CCCn1nc(C)c(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	178030284	NKCGXIGHBAGYJO-VCHYOVAHSA-N	373.485	4.969	50	20	FJGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc(Cl)c1OC	180572756	XMXXYLNNDBRRKJ-VGOFMYFVSA-N	358.781	4.638	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	213466135	CQEWPCRSUBDCGO-RAXLEYEMSA-N	360.244	4.605	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	726428062	DSMCZEJHDZQUOT-DGGAMASNSA-N	359.832	4.555	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cc(F)ccc1Br	728436214	NMWUTRHRBJIFFC-RYUDHWBXSA-N	367.262	4.664	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccc(-c2ccccc2F)o1)c1ccccc1	731932047	XFNFMGJQUWBKIR-KRWDZBQOSA-N	350.393	4.730	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)ccc1SC	746342030	JXPMSTUVHFUGNH-OQLLNIDSSA-N	365.483	5.000	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3cc(C)ccc3C)s2)c(C)c1	748415348	KIJXJDRTSPSOGA-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1C[C@H]1c1ccc2ccccc2c1	748644605	RABQMWFPFFHJJP-RBUKOAKNSA-N	368.383	4.688	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(F)(F)F	750899571	JBBJMOAWZGLOLA-MDWZMJQESA-N	373.334	4.577	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	755404434	MMMKMAVBLOUQFY-KMKOMSMNSA-N	353.155	4.817	50	20	FJGD	
CC[C@@H](CC(F)(F)F)NC(=O)NN(Cc1ccccc1)c1ccccc1	761037688	XYHIVFNGKMPQTE-INIZCTEOSA-N	365.399	4.638	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccccc1NCc1ccccc1	771674253	NCWAPKYYYYCIFK-UHFFFAOYSA-N	369.827	4.848	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	775639899	ZTIDDLGUHUDFOL-XYOKQWHBSA-N	363.747	4.740	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(c2ccc(Cl)cc2)CCCC1	776643122	CEBAMNLUDZYQKA-DTQAZKPQSA-N	366.848	4.538	50	20	FJGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c1C	782368504	GWELIXNSWVOBHU-XNTDXEJSSA-N	361.367	4.719	50	20	FJGD	
Cc1c(/C=C(\C#N)C(=O)O[C@H](C)c2cccc3ccccc23)cc(C#N)n1C	782630088	YMAYQSLKZBHVFJ-YDDPGSGASA-N	369.424	4.570	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(Cl)c1C	783589267	JKEXETPENVHCSJ-UHFFFAOYSA-N	358.747	4.612	50	20	FJGD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NNc1cccc(Cl)c1	788831293	DUACCXJSSMJSNO-UHFFFAOYSA-N	359.817	4.526	50	20	FJGD	
Cc1oc(C(C)C)nc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	794742191	VYLXEMDVOZDVPF-UHFFFAOYSA-N	362.644	4.824	50	20	FJGD	
N#C/C(=C/c1ccc2oncc2c1)C(=O)Nc1ccc(Cl)cc1Cl	821030551	AHEUUIKWLMCQPG-WZUFQYTHSA-N	358.184	4.680	50	20	FJGD	
C[C@H]1C[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCN1	841179545	POQJQCVZUWBLMA-GXSJLCMTSA-N	359.364	4.606	50	20	FJGD	
ClCCCOc1ccc(CNCc2nc(-c3ccncc3)cs2)cc1	848537032	XPAYDAHXMUTRDX-UHFFFAOYSA-N	373.909	4.503	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2cc3ccccc3nc2O)C1	852522500	KKEICMHPGHPXFB-KRWDZBQOSA-N	358.558	4.537	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)cc1	1776271654	QWIDPYFNPKCNHA-GDNBJRDFSA-N	351.377	4.611	50	20	FJGD	
C[C@H]1CCC[C@]1(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776637551	XOBBMBLYCDKRJA-MGPUTAFESA-N	363.574	4.804	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OC	6945269	LRPAORKGFPZYBK-WOJGMQOQSA-N	364.445	4.565	50	20	FJGD	
Fc1cccc2nc(CBr)c(-c3ccccc3Cl)nc12	98177951	HKQDIHRJKUXXCR-UHFFFAOYSA-N	351.606	4.984	50	20	FJGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)ccc1Cl	133922304	ZTXNECKSVODBDK-UHFFFAOYSA-N	367.792	4.672	50	20	FJGD	
CCc1c(NC(=O)CCCC[C@H]2CCSS2)cnn1CC(C)C	157591912	NNBIMPMWUNPGDB-AWEZNQCLSA-N	355.573	4.754	50	20	FJGD	
O=C(NCC1=CCCOC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	286935931	AWIWFZLAFGAIDA-UHFFFAOYSA-N	358.332	4.812	50	20	FJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1ccc(Br)s1	730437560	SEHKCPOIYFUJGZ-UKTHLTGXSA-N	369.243	4.849	50	20	FJGD	
Cc1cccc2cc(/C=C(/C#N)C(=O)N(C)c3ccccc3)c(Cl)nc12	732804773	WPWAMDOFKLSEDN-ATVHPVEESA-N	361.832	4.767	50	20	FJGD	
Cc1nc(CC(C)C)c(C(=O)NNc2ccc(Cl)cc2Cl)s1	748017544	ACISGCNHKSMPHM-UHFFFAOYSA-N	358.294	4.714	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc2c(Cl)c(Cl)ccc2[nH]1	748318299	PADBHYMQOAPMGJ-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)co2)cc1	749885772	GHGYVCLLZGWHJC-XNTDXEJSSA-N	363.804	4.849	50	20	FJGD	
O=C(NCCOCC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	752981969	VQAQKIOQXRPGFI-UHFFFAOYSA-N	360.348	4.892	50	20	FJGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc(C#N)c(Cl)c1	753303123	PXOJPDNDVZJCLM-MARXPDLDSA-N	369.852	4.545	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c2ccccn12	762603080	ILAAIRJCSMVTIT-WJDWOHSUSA-N	355.397	4.994	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)c(C)n1C1CC1	775638621	DTSHEJNEGYXYGY-GDNBJRDFSA-N	356.372	4.831	50	20	FJGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1ccccc1OC(F)F	776194119	XZWDCRIGHTWFFO-PTNGSMBKSA-N	350.324	4.626	50	20	FJGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)o1	781592552	GTGZZZBXQJQEDO-UHFFFAOYSA-N	362.307	4.631	50	20	FJGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccc(Cl)c(F)c1	793714022	WELLHWZNLMRRTM-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1c(C)cccc1F	793839449	QJQGZMKKDSGKLD-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2-c2cnn(C)c2)c(C)c1	801647162	DPYYZHVIHGOJSM-YBFXNURJSA-N	370.456	4.558	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1sc2ccccc2c1Br	810681358	HZTJIXUYPCYJAE-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1	813872643	IROBBDZCUZTABU-FOWTUZBSSA-N	359.360	4.559	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CC(C)(C)C3)cc2)cc1	814706017	RQDFRXJAEQDTAO-UHFFFAOYSA-N	366.461	4.570	50	20	FJGD	
CC(C)(CO)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccs1	855110051	LMIIRFWCKRPLJZ-BBRMVZONSA-N	373.609	4.638	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]2NCC[C@@H]21	868147689	MEIXQJOOPRLPHX-STQMWFEESA-N	371.375	4.702	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)c2ccccc2)c(C)n1CC(C)C	917370338	RBZJNTVMKQSKNA-FPJJECCMSA-N	363.505	4.888	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(-c3ccccc3)o2)cc1	918654265	UWDNCDFTIPSOAY-XMHGGMMESA-N	372.424	4.569	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C3\COc4ccc(F)cc43)n2)cc1	920067953	LUIWKODMTIQQCT-WUKNDPDISA-N	364.401	4.785	50	20	FJGD	
O=C(NN=Cc1csc(C2CC2)n1)c1ccc(-c2ccc(F)cc2)s1	920369529	YWJFNCXXBRIWIJ-UHFFFAOYSA-N	371.462	4.652	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	6209784	KIHMIJRCFFXFBQ-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccco3)o2)cc1	8200647	XVLXABZXAQIYJD-FOWTUZBSSA-N	361.353	4.506	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1O	96814766	CQRRAEQDNXGWCZ-NVNXTCNLSA-N	364.426	4.597	50	20	FJGD	
COc1ccc(C(=O)NNc2ccccc2C(F)(F)F)c2ccccc12	115174829	SBIOUKAFRXAZHS-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc1C	125404315	COESRGYAZUHPJK-ZROIWOOFSA-N	351.387	4.992	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1c(-c2ccccc2Cl)noc1C	160983320	ZNPJEHQHWKKURC-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	180054914	KKOCGDKJAACOOI-POHAHGRESA-N	358.182	4.573	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1C	212450941	RAMRTUUUEDOBAR-YBEGLDIGSA-N	371.868	4.723	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	727976638	WSQQMFAKPJPKAC-WZUFQYTHSA-N	350.727	4.611	50	20	FJGD	
Cc1cccc(NNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c1	732574981	JSCPYBZLYDUEKA-PKTZIBPZSA-N	372.468	4.821	50	20	FJGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1nccc2sccc12	757381508	HHGPMNCRKDXTEP-UHFFFAOYSA-N	368.506	4.820	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc2sccc2c1	761595741	NECPCQDYRZFQSM-UHFFFAOYSA-N	352.337	4.557	50	20	FJGD	
COc1ccccc1[C@H](C)CC(=O)NNc1c(Cl)cccc1Cl	763610340	BZZOPAZZBRYWMP-LLVKDONJSA-N	353.249	4.639	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(-c3c(F)cccc3F)o2)ncn1	773176823	PHLJPCLEOBJDBP-XFFZJAGNSA-N	355.369	4.801	50	20	FJGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)c2cc(-c3ccccc3)on2)C1	780210469	UQHICAPYOOWXMJ-JOCHJYFZSA-N	359.429	4.569	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)N(C)CC(Cl)Cl)c(F)c2)c(F)c1	808246519	FFHSTUSZBISQIM-UHFFFAOYSA-N	374.214	4.516	50	20	FJGD	
ClCCCOc1ccc(CNCc2ccc(OC3CCCC3)nc2)cc1	811474189	FALFRLQFIQNSCS-UHFFFAOYSA-N	374.912	4.701	50	20	FJGD	
CC(C)(CO)[C@@H](NCc1ccc(OCCCCl)cc1)c1cccs1	835054890	MWRSIJOTKLREJD-SFHVURJKSA-N	367.942	4.605	50	20	FJGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(-c2ccccc2Cl)s1	915110161	NMEDRVZGUNJWSY-UHFFFAOYSA-N	369.877	4.805	50	20	FJGD	
CCOc1ccc(C(=O)NN=C(C)CC(C)(C)c2ccccc2)cc1OC	915951065	WVNJMASTUJMFQS-UHFFFAOYSA-N	368.477	4.568	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	5847847	ZONOYCFPRFNCFE-XFXZXTDPSA-N	374.780	4.758	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)c1c[nH]c2ccccc12	17699411	YSKJAGKPFRECJO-UKTHLTGXSA-N	356.303	4.856	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)o1	55040969	KOXQETQZACYCNY-UFLKPIKFSA-N	371.234	4.711	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(SC)c(OC)c1)c1ccccc1	188570092	ORMARSVGBQIBMY-FSEPTYSPSA-N	366.486	4.592	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)c1ccc([N+](=O)[O-])cc1	192570819	WSUNMFLPBKUFTD-QGOAFFKASA-N	357.369	4.633	50	20	FJGD	
N#C/C(=C\c1sccc1Br)C(=O)c1cc(F)cc(F)c1	588597308	GGMQMTUJTKLJLK-WEVVVXLNSA-N	354.175	4.579	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1)C1CCCCC1	732716443	QEDBEHWAHHEGBY-DTQAZKPQSA-N	352.409	4.784	50	20	FJGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1nccc2sccc12	734248661	ZBOCEVKGDMDNKP-CYBMUJFWSA-N	369.490	4.504	50	20	FJGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1)c1cc2ccccc2cc1O	735608418	ABHTWVOMHPPSEV-LJQANCHMSA-N	358.441	4.674	50	20	FJGD	
O=C(CSc1cc(Cl)ccc1Cl)NNc1c(F)cccc1F	735696392	QTSWGJCICRAOOL-UHFFFAOYSA-N	363.216	4.507	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(F)c(Cl)cc1Cl	748570411	VHGVFUKYSPLBNO-UHFFFAOYSA-N	353.224	4.768	50	20	FJGD	
CC(C)C(=NNC(=O)c1cccc(NN=C(C(C)C)C2CC2)c1)C1CC1	750917370	FUDBNIVLGXHETO-UHFFFAOYSA-N	354.498	4.672	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1nccc2sccc12	752622656	VAAJFZHUILUEFV-UHFFFAOYSA-N	373.890	4.850	50	20	FJGD	
Cc1ccc(-c2nc(COC(=O)[C@@H](Br)C(C)(C)C)co2)cc1	766753439	YYOUJWVASAQNDG-CQSZACIVSA-N	366.255	4.503	50	20	FJGD	
CCn1nc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c2ccccc21	769724132	FTQWYMAJIIWLSL-SAPNQHFASA-N	366.424	4.755	50	20	FJGD	
Cc1cc(C)nc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)c1	786741040	JQTZCZDCAJAYJP-ISNHLSKGSA-N	367.499	4.701	50	20	FJGD	
C/C(C=NNC(=O)c1cccc2ccccc12)=C/c1cccc([N+](=O)[O-])c1	787158649	XOFNMNUWEGWMAQ-JSKMBWAUSA-N	359.385	4.567	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	791734918	SKOUFACZBSKZIT-DTWKUNHWSA-N	355.187	4.805	50	20	FJGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2ccc(Cl)nc2)c1	799836790	CJWWBRYSWFWWLM-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
Cc1cc(Br)c(C(=O)NNc2cccc(Cl)c2)cc1Cl	804204325	BPCRCBALCUZMLW-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CO[C@H]1CCOc2c(NC(=O)NNc3c(C)cccc3C(C)C)cccc21	812976302	YYOZTIMXFZACAQ-SFHVURJKSA-N	369.465	4.737	50	20	FJGD	
CCOc1ccc(NNC(=O)Cc2csc3ccc(Cl)cc23)cc1	817886110	WJLFHUOOQBQKRE-UHFFFAOYSA-N	360.866	4.639	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1c(F)ccc(SCC2CC2)c1F	828766619	UAWGBDMRBGTWQK-UHFFFAOYSA-N	366.408	4.671	50	20	FJGD	
O=C(Cc1cccc2cccnc12)NN(Cc1ccccc1)c1ccccc1	832673705	XEOLYPNLUKQVOP-UHFFFAOYSA-N	367.452	4.515	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1OCC(C)C	834747158	DGZGVQVPYBLAOI-BOPFTXTBSA-N	357.450	4.513	50	20	FJGD	
C[C@@H]1C[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1	841191457	ZOGZFNVNZHDOMG-KOLCDFICSA-N	359.364	4.606	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1	915845754	VJPDAARRQKHCQA-MNDPQUGUSA-N	369.472	4.837	50	20	FJGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl	915901473	VPQOJNGSMQOWIX-QMMMGPOBSA-N	360.191	4.659	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cccc(Cl)c1Cl	915972447	NIIRFRUAWKNYAE-UHFFFAOYSA-N	357.240	4.839	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2)c1ccccc1	920241258	PSQHSFXQSLEDET-IEOAWGNMSA-N	360.457	4.575	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c1C	1317890653	BLZQFUZBYNLPJC-HKWRFOASSA-N	361.489	4.905	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(Oc3ccccc3)ccn2)cc1Cl	1319463947	QBUDAGHHSBRASD-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3csc([N+](=O)[O-])c3)n2)cc1	66407899	NLSPFOLIOVZBJI-MLPAPPSSSA-N	369.427	4.853	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1-n1cncn1	172816500	MQCYQIHNUXTKEM-VCHYOVAHSA-N	369.453	4.763	50	20	FJGD	
O=C(NNc1ncccc1Cl)c1cc(C2CC2)nc2ccc(Cl)cc12	176148804	BOTYQXPFDMWTKZ-UHFFFAOYSA-N	373.243	4.571	50	20	FJGD	
COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1OC(F)F	180572035	VECMPLMOCMBVKT-NTEUORMPSA-N	360.316	4.577	50	20	FJGD	
Cc1ccc(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nc1	181318267	SRZUQYWDCCIKAN-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
CC[C@H]1COCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181774496	OPRDADHBUAMWGK-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
O=C(NC[C@H]1CCCOC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192260636	FRHNRVCFYKKPLM-SNVBAGLBSA-N	360.348	4.892	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NNc1cccc(Cl)c1	301239311	JDNHARZVAUMHKS-UHFFFAOYSA-N	352.821	4.529	50	20	FJGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)c1cc(C)sc1C	730571088	RXRUGFONCCOSHD-UHFFFAOYSA-N	369.515	4.571	50	20	FJGD	
COc1ccc(CC[C@@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1	742412057	XFZCZJPFGOPSLE-QAPCUYQASA-N	367.580	4.847	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1csc2ccccc12	752058769	VGYJMOMKRFBUCN-OJNRTJSBSA-N	350.418	4.825	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1Cl	753683237	PRXHMGJALURTQQ-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3ccc([N+](=O)[O-])cc3)c(Cl)c12	768247754	SALOGRFGCZAZGR-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
CSSCCNC(=S)Nc1ccccc1Oc1ccccc1	789324584	ILQLYQBYVGAIOH-UHFFFAOYSA-N	350.534	4.777	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797398862	LYWDJPWXGNHSCV-FOWTUZBSSA-N	350.491	4.855	50	20	FJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC(C(F)F)CC2)cc1	799466927	VKKFPHPFSXVNNE-UHFFFAOYSA-N	359.420	4.635	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1	853897130	XFNDGEOQAYZOLH-JTQLQIEISA-N	367.513	4.548	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2c(C(C)C)nn(C)c2Cl)c1C	915984464	LFQGEHWPLLMGLE-GDNBJRDFSA-N	372.900	4.815	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cccc(Cl)c1	916349569	QHZCEGGTFPOUCH-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2F)c(C)n1CC(C)C	921291603	SMPVJEWJBGDLHI-CXUHLZMHSA-N	357.404	4.585	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)cc1Cl	1116326644	HBWQOZMYIWBSAF-UHFFFAOYSA-N	368.868	4.714	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(/C=C\c2cc(C(=O)O)ncn2)c1	1776270418	YHWLUGYWSIKHKY-KTKRTIGZSA-N	356.498	4.729	50	20	FJGD	
CSc1cc(C(=O)NNc2cccnc2Cl)c(Cl)cc1Cl	133843968	CDABDRUELJHDOA-UHFFFAOYSA-N	362.669	4.521	50	20	FJGD	
Cc1ccccc1[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	151394624	KOBIZPDFODLPSS-WMZOPIPTSA-N	365.564	4.609	50	20	FJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2cccc(C(F)(F)F)c2)s1	255370501	OXTNNQGCILEHTK-FPLPWBNLSA-N	369.412	4.616	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1F	588619119	QUUYOHPXNRBWHY-FLIBITNWSA-N	365.191	4.687	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CCSC)cc2)cc1	727678099	DIKAIEPJTZYEIR-JXAWBTAJSA-N	366.486	4.536	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)C1CCC(c2ccccc2)CC1	743299355	MVYJHLNMWPPDFF-UHFFFAOYSA-N	373.294	4.866	50	20	FJGD	
CC[C@@H](C(=O)NNc1ccc(Br)c(C)c1)c1ccc(F)cc1	764264892	ZKWFGNXRSKTNBM-OAHLLOKOSA-N	365.246	4.534	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1	769224266	DRDAQLAFZIOYGO-UHFFFAOYSA-N	372.774	4.660	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)c1ccc(OC(F)F)cc1	776259840	RDXVRZHUFODPLR-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccccc1OC(F)(F)F	791722952	PLYSBYKXVSTZJQ-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
N#C/C(=C/c1cscc1Br)C(=O)Nc1ccccc1Cl	794689987	VVCUJRZMAQSARA-UITAMQMPSA-N	367.655	4.710	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2cc(Cl)ccn12)C(=O)c1cccc(F)c1	794713625	NSVUXAUSYPJUFB-XFFZJAGNSA-N	360.175	4.570	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3cccc(C(F)(F)F)n3)c2c1	806904202	YJYUWZNKJCXOOH-UHFFFAOYSA-N	363.339	4.727	50	20	FJGD	
CC[C@H](O)c1nccn1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	853694489	LRWPRCGKJYKOIG-SFHVURJKSA-N	360.574	4.897	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2cccc(F)c2Cl)c1C1CC1	860841232	ZXPNQOHLZZJDOJ-SNVBAGLBSA-N	365.840	4.673	50	20	FJGD	
Cc1ccccc1NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	865536214	YQGPJLUDJJICIT-UHFFFAOYSA-N	362.273	4.790	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	917515854	BYZCPCHSWIVVIP-SAPNQHFASA-N	358.397	4.891	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(OC[C@H]3CCCO3)cc2)c1	918713324	IHRDUFDYMQOBDZ-WVWKGNOCSA-N	361.441	4.651	50	20	FJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1ccc(Br)s1	1116141749	GPKNJRNFUYWBSE-NTEUORMPSA-N	358.260	4.789	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)cc2)o1	1777433707	WTQKPANNHHJHMG-SFQUDFHCSA-N	357.365	4.743	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2[nH]1	7503264	BCZRKUJXWBFGAJ-LFIBNONCSA-N	373.847	4.834	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1O	96998107	KRLLVSLNBDLADD-WZUFQYTHSA-N	372.833	4.737	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OC	213094701	PWSAFNCJQRAFAS-AQTBWJFISA-N	364.445	4.592	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	213474589	VIJYDUAKCXZNOC-WJDWOHSUSA-N	362.364	4.601	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	730149135	TYDZUPFSDLRUFZ-XNTDXEJSSA-N	368.433	4.915	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1Br)C(=O)c1ccsc1	742432440	ANVDWYLOEOYURC-WZUFQYTHSA-N	352.640	4.954	50	20	FJGD	
C/C(=C\C(=O)NNc1cc(F)c(F)c(F)c1)c1cccc(C(F)(F)F)c1	746704632	CFOWHLNFTGSVGM-WEVVVXLNSA-N	374.284	4.669	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N(CCO)CC1CC1	752973887	IAKYQOIMABTEPK-UHFFFAOYSA-N	360.348	4.580	50	20	FJGD	
O=C(NC[C@@H](O)c1ccco1)Nc1ccc(S(F)(F)(F)(F)F)cc1	753926227	UOWNZPKFDRGRMI-LLVKDONJSA-N	372.315	4.792	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2ccco2)s1	754151133	WKEOLPAAFNFQCZ-UHFFFAOYSA-N	370.327	4.923	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2ccc(OCC(F)(F)F)c(F)c2)sc1C	758062016	GDYYGFLJXHFGEP-XGICHPGQSA-N	356.344	4.904	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2cc(F)c(F)c(F)c2)C1	767094121	PHKIUTOTJFICIV-UKRRQHHQSA-N	372.431	4.703	50	20	FJGD	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1	769954155	PFHUOMVONPMXDD-HXUWFJFHSA-N	360.392	4.630	50	20	FJGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)sc2cccc(F)c12	770197260	PHSVJAPUTBIVGM-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(-c3ccncc3)ccc2OC)c1	773909247	OWCJBFGGIAPCBI-MOSHPQCFSA-N	370.408	4.556	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccccc1CCC(F)(F)F	781096959	DFSMIIFRNVIELG-LBPRGKRZSA-N	366.221	4.930	50	20	FJGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3cc(Cl)cc(Cl)c3)cn2c1	789127338	JAJMHBROASSGTN-AWNIVKPZSA-N	356.212	4.739	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(Cl)nc2cc(Cl)ccn12	794697287	DGRQHWDXUBBPTD-POHAHGRESA-N	362.241	4.801	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(C)(C)CCC#N)c(C)n1CCC(C)C	807723137	WFYGVZLPBKBMNQ-DEDYPNTBSA-N	368.525	4.504	50	20	FJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)c1cccc(Cl)c1	810218383	SXNYSJAFWCZXAT-YHYXMXQVSA-N	352.640	4.954	50	20	FJGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3c(C)cccc3C(C)C)c12	812761652	DKZNCCRMBUUCSX-UHFFFAOYSA-N	365.477	4.684	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21	813139479	GPWZTZJKJBTYIH-GOSISDBHSA-N	369.513	4.600	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)o1	817016142	HYUFVDLXHHOXED-UHFFFAOYSA-N	366.261	4.691	50	20	FJGD	
C[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H](CN)C1	850732233	BPRUXQKDUCIQTI-PWSUYJOCSA-N	373.391	4.935	50	20	FJGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)NCCc1ccccc1	917516341	TUIGITDELFMGAG-CPNJWEJPSA-N	358.466	4.681	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(CSC(F)F)o2)cc1	7159259	PZMDEYALASPCQW-UKTHLTGXSA-N	362.401	4.843	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1	26175437	CQFFJRALZZIZAG-BRFSQIRFSA-N	360.413	4.616	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1OCc1cccs1	171093683	VUIRNNLEGYBNFB-MHWRWJLKSA-N	355.459	4.858	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1C(F)(F)F	178298672	QZMWDISWBVJLPE-BJMVGYQFSA-N	370.252	4.668	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1)c1ccccc1	200785002	IQHMXYYDTLJXIR-QNKXHIPISA-N	362.326	4.629	50	20	FJGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC(C)(C)C1	303235323	ZENKLYHYBFEQIP-NEPJUHHUSA-N	371.308	4.607	50	20	FJGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H](C)c1cc2ccccc2o1	588515607	BXHIXPRWAGSAPO-BRFSQIRFSA-N	360.413	4.655	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccc(C)s3)cs2)cc1	729820358	OGGPYVUXGXXTSM-NTEUORMPSA-N	366.467	4.979	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@H](Sc1ccccc1)c1ccccc1	735696450	UOBSZOJMCUTZJA-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
O=C(CC(c1ccccc1)c1ccccc1)NNc1c(F)cccc1F	735697938	BEPLINUCQHMWMA-UHFFFAOYSA-N	352.384	4.630	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(O[C@@H]2CCOC2)cc1	739787868	KANULXMPFYVOFT-SJORKVTESA-N	367.536	4.507	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1scnc1C	741766011	OKKCJRWKLYSRPC-UHFFFAOYSA-N	350.447	4.664	50	20	FJGD	
CCCC[C@@H](NCCP(=O)(c1ccccc1)c1ccccc1)C1CCC1	754351485	PMBHPHUYIUDMNS-HSZRJFAPSA-N	369.489	4.949	50	20	FJGD	
Cc1ccc(SCC(F)(F)F)c(NC(=O)NNc2ccccc2)c1	762245276	LGOZVAGIWKMHKD-UHFFFAOYSA-N	355.385	4.798	50	20	FJGD	
N#Cc1ccc(/C=C/c2ccc(OCCBr)c(Cl)c2)nc1	763112699	AEUWTTWUOGIEOJ-DAFODLJHSA-N	363.642	4.551	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(O)ccc1Cl	763898807	LEAWHEJNMPWBSW-UHFFFAOYSA-N	366.031	4.763	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1ccc(-c2ccco2)s1	767863295	ZJLPFRDJRWBRSU-UHFFFAOYSA-N	363.236	4.528	50	20	FJGD	
C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	768034261	QQGWNIUJYUTSQD-SMDDNHRTSA-N	369.328	4.686	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(Nc2ncccn2)cc1	768331193	DAQRXVVXMFYJGD-INIZCTEOSA-N	374.535	4.873	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CCCc2sccc21	771538202	KCYGGQBFTAMZOP-ZDUSSCGKSA-N	357.866	4.513	50	20	FJGD	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1Cl	772174376	AGXOKSZCJBIPSO-MDWZMJQESA-N	363.795	4.713	50	20	FJGD	
CNC(=O)CCCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	779839428	CNZNIXBYDJTNAZ-UHFFFAOYSA-N	360.348	4.589	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccn(-c3ccccc3Cl)n2)cc1	780809570	WGOFLYNWICUFMJ-UHFFFAOYSA-N	368.868	4.580	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2Cl)cc(Cl)c1Br	786426516	IEPWYIALWKLKMY-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)c1c[nH]c2cc(F)ccc12	789127846	MUZBGCYWBZEPMJ-IZZDOVSWSA-N	363.373	4.813	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1	793074061	VDVUFTCMTWEEOB-HWYOBBEWSA-N	367.404	4.761	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	794875383	REBUQDJPLAILEL-GXDHUFHOSA-N	360.417	4.994	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(OCCCCl)cc3)[nH]c12	811690488	BJYPWVDPRSYAJW-FOWTUZBSSA-N	351.837	4.943	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(-c3ccc(CC)cc3)o2)cc1	817925983	ZKAKKAZWDLGGEG-UHFFFAOYSA-N	350.418	4.665	50	20	FJGD	
CCC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CCC1	834917506	IRCCFDJWCNKPOS-UHFFFAOYSA-N	358.445	4.593	50	20	FJGD	
N#C/C(=C/c1cc(Br)cc2c1OCC2)c1nc(C2CC2)cs1	843264415	IBSKDELWTITZPH-ACAGNQJTSA-N	373.275	4.782	50	20	FJGD	
CCC[C@@H](C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1	846378300	GBPIBZSVEQFYAK-GFCCVEGCSA-N	371.790	4.781	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)c1C	875107834	AROUUCGACLDIRD-YDDPGSGASA-N	373.541	4.550	50	20	FJGD	
Cc1ccc(SCCC(=O)NNc2ccccc2C(F)(F)F)cc1	912639411	ZVLVRNUKWJHNEP-UHFFFAOYSA-N	354.397	4.639	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Br)c(C)c1	7160167	TUUXSVZHBJEAEH-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
CCCC(CCC)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	7754330	ORCSJFGPAILUAD-UHFFFAOYSA-N	359.495	4.692	50	20	FJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2cc(C)ccc2C)cc1	120428457	INHPWJICKPUJSO-UHFFFAOYSA-N	368.477	4.589	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1cc2ccccc2o1	128057735	VBILJFPIICAKBK-ZROIWOOFSA-N	357.394	4.741	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2Br)oc2c(C)cccc12	153507623	SGNIOTKZBVSAGL-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(NNc1ccc(F)cc1Br)c1csc2ccccc12	153853127	LEMRMXMEYGZEKX-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1ccc(Cl)cc1Cl	179931855	PJWYPBSSXNBMIM-UHFFFAOYSA-N	368.220	4.584	50	20	FJGD	
CC(C)(O)CN(Cc1ccccc1)C(=O)CCCC[C@@H]1CCSS1	182831418	GMKIVUKNQZJGIH-QGZVFWFLSA-N	367.580	4.500	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)c2ccsc2)o1	193346991	PEXHHRFSBQCWIK-GXDHUFHOSA-N	363.394	4.585	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)cc1	211455458	WNYPHUQIOYGGTH-UNOMPAQXSA-N	359.429	4.600	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1F	212115118	IYIQPVUZZBGUIR-RGEXLXHISA-N	372.399	4.950	50	20	FJGD	
CCN(Cc1ccoc1)C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	726511942	HMKMVWHVHVEHEQ-MTJSOVHGSA-N	367.493	4.700	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H](c1ccccc1)[C@@H]1CCCO1	726537039	DPTVKUJMMHUUOR-ZIFCJYIRSA-N	365.564	4.737	50	20	FJGD	
CC(C)C[C@@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	740922837	ZIFAVHNOMIFTCY-QGZVFWFLSA-N	361.283	4.722	50	20	FJGD	
Cc1ccc2oc(C(=O)NNc3cc(C(F)(F)F)ccc3F)cc2c1	754143621	PTLVIXJYIMMUBG-UHFFFAOYSA-N	352.287	4.656	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2csc(Cl)c2Cl)cc1	761395146	YZXLWIHUHCSIKX-RMKNXTFCSA-N	353.230	4.609	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1	767030055	NGVNWKBKTNNUCR-KBPBESRZSA-N	358.707	4.813	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3cc(Cl)ccn3)c(F)c2)cc1C	778451051	HKCMIOLVKMFCSE-UHFFFAOYSA-N	369.827	4.915	50	20	FJGD	
CCSCc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	790036568	YXGUNFOZPLCSCC-UHFFFAOYSA-N	370.396	4.595	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1	794686158	LJMSNNUSZGJPGK-RIYZIHGNSA-N	371.318	4.582	50	20	FJGD	
CCCN1CC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	822461253	WPCKJLZHPDNLHH-GFCCVEGCSA-N	373.391	4.950	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC#N)c2)cc1	917619722	LUPLKHIZRJWVCE-YZYPPFLQSA-N	359.429	4.648	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2sc(CC)cc2C#N)c1C	917880585	MQRDHVGPYOPABL-SXGWCWSVSA-N	366.490	4.556	50	20	FJGD	
Cc1ccc(-c2cccc(C=NNC(=O)Nc3ccc(C(=O)O)cc3)c2)cc1	1776045092	OXWAFAYRDOFZRQ-UHFFFAOYSA-N	373.412	4.516	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)ccc1OC(C)C	11333597	ZPRGCSAIISXJBY-CXUHLZMHSA-N	355.821	4.926	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OCC	60108421	FZADHQWCHDTARN-PTNGSMBKSA-N	370.836	4.683	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1	127655398	ZGJRDFDRCAVLSS-UHFFFAOYSA-N	373.815	4.816	50	20	FJGD	
O=C(NNc1cccnc1Cl)c1cc(C2CC2)nc2ccc(Cl)cc12	128504549	ZWUYWVOCLHEIFB-UHFFFAOYSA-N	373.243	4.571	50	20	FJGD	
N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(C#N)cc2)cs1	141612598	VBRKHWIRTROMOE-CXUHLZMHSA-N	358.382	4.654	50	20	FJGD	
COc1ccccc1/C=C(/C(=O)NNc1cccc(F)c1)c1ccccc1	154456107	KQGDPEKHXDEMTR-XSFVSMFZSA-N	362.404	4.518	50	20	FJGD	
Cc1c(C(=O)NNc2ccncc2Cl)oc2c1ccc1ccccc12	154783042	SQAZBQWXBBUIDM-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OC	214061473	OGRHMHNLBJLRCA-PDGQHHTCSA-N	364.445	4.647	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)c1ccc(C)cc1	588506643	AEPQVZDXTSZYKK-STZFKDTASA-N	354.409	4.856	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1sccc1-c1ccc(F)cc1	728716188	ZAWIGTRTHGLOOB-UHFFFAOYSA-N	366.339	4.728	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2c(s1)-c1ccccc1CC2	734554745	HJNNCEDUFIRZFR-UHFFFAOYSA-N	374.387	4.688	50	20	FJGD	
CC(C)(CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1F	749869798	OACIYFZEIDMSHV-CQSZACIVSA-N	355.544	4.934	50	20	FJGD	
CC(C)(C)O[C@@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1	753917256	IJQVIXPSLCUVST-MRXNPFEDSA-N	366.383	4.705	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc2c(F)cccc2s1	754146729	CTUJPYWVFWFLRJ-UHFFFAOYSA-N	372.318	4.955	50	20	FJGD	
CC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762653218	NUBIFNRDECSGBE-LLVKDONJSA-N	372.359	4.684	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	779193636	HEDZEEULFNHBGV-UHFFFAOYSA-N	369.852	4.513	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(-c2ccccc2)ns1	791720637	QVZXCJKJEKZTEK-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)nc2)cc1	797787200	GPGKMNRZDLWRNR-ZHZULCJRSA-N	353.425	4.948	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OC[C@H]3CCCO3)cc2)cc1C	809147031	XBGQFVVVCLTNTJ-WVWKGNOCSA-N	361.441	4.651	50	20	FJGD	
CC[C@H](CS(=O)(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)OC	817356815	VEWWPPLMQVPHKV-SNVBAGLBSA-N	369.377	4.511	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(N4CCCC4)cc3)n2)cc1	1317827925	ZPNGERRAMRFTHN-RGEXLXHISA-N	356.429	4.709	50	20	FJGD	
O=C(/C=C/c1cc(Cl)cc(Cl)c1)NNc1cc(F)c(F)cc1F	1322858361	ZOEPVGVCBLHSAB-OWOJBTEDSA-N	361.150	4.567	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3ccc4ccccc4n3)o2)cc1	1326484119	LJMFYFTXSXCGMQ-GHRIWEEISA-N	368.396	4.748	50	20	FJGD	
CCCn1ncc(NC(=O)CCCC[C@@H]2CCSS2)c1C1CC1	1347884341	LHWNDKRAPLTSOC-CQSZACIVSA-N	353.557	4.823	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC(F)F	23218007	CTNZJUYTKRWOEN-MDWZMJQESA-N	368.339	4.568	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1C1CC1	89865583	GHMJAAIYVZIHIP-NSHDSACASA-N	366.387	4.507	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl	195673907	KDMISUSANJQUAV-WTKPLQERSA-N	368.201	4.509	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@](O)(C2CC2)C1	365817591	BVXCJGXORNNGDN-CQSZACIVSA-N	372.359	4.723	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1	727976605	WFKQTZBTGWWLRV-WQLSENKSSA-N	366.726	4.784	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1F	729514587	IOABEJQXABPGSR-LBPRGKRZSA-N	357.816	4.664	50	20	FJGD	
O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1c(F)cccc1F	743455148	JBRYFCSHXZIQKW-GOSISDBHSA-N	366.411	4.825	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2cc(C)nc3ccccc23)cc1	744133369	FUVNUISBEWPUFE-QGOAFFKASA-N	372.424	4.592	50	20	FJGD	
COc1ccc(Br)c(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	747699206	QVNABBWSHPSUSK-JYRVWZFOSA-N	368.234	4.707	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1Br)c1nc(-c2ccccc2)no1	761177717	UNGBOYHJGPHFCO-JYRVWZFOSA-N	370.181	4.702	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)c1ccc(Cl)cc1F	761387388	WGVQJCUWCORZDP-BJMVGYQFSA-N	363.150	4.933	50	20	FJGD	
Cc1onc(CC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1C#N	762755944	LRVYUFHITAOUNO-UHFFFAOYSA-N	367.299	4.693	50	20	FJGD	
N#C/C(=C\c1cc(O)ccc1Br)C(=O)c1cccc(Cl)c1	769773515	MGLPLOJSBSABQW-WUXMJOGZSA-N	362.610	4.598	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146006	VPUWLBUSAVYMHZ-GHXNOFRVSA-N	364.254	4.543	50	20	FJGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2ccc3ccccc3n2)C1	777462609	ZVDWIJKXAUBASG-MJGOQNOKSA-N	369.509	4.834	50	20	FJGD	
CSCc1ccccc1NC(=O)NNc1ccccc1OC(F)(F)F	779453331	WPOCYULLYZUSEF-UHFFFAOYSA-N	371.384	4.597	50	20	FJGD	
CCO/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1NCC1CCCCC1	782782996	JBZMEBOKXQZZET-SQFISAMPSA-N	361.873	4.715	50	20	FJGD	
Cc1ccc(-c2nnc([C@H](C)OC(=O)/C(C#N)=C/c3ccccc3)o2)cc1C	785366508	PVZLYZSEJQQRGJ-QUYZQLMHSA-N	373.412	4.565	50	20	FJGD	
O=C(CCc1cnc2ccccc2c1)NNc1c(Cl)cccc1Cl	792231442	QLNIWRTXWWYJOO-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	794939542	RWKBEDKUEUFWSV-DHDCSXOGSA-N	365.772	4.663	50	20	FJGD	
C[C@H](O)[C@H]1CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	822612005	DEZWQLPDGSGGQT-JOYOIKCWSA-N	360.348	4.721	50	20	FJGD	
Cc1cc(OC(=O)CCC(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-]	917028779	WKTMRONVAWOPPG-UHFFFAOYSA-N	363.369	4.625	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	917146242	WUTCIJANRBBOCR-SDQBBNPISA-N	354.768	4.759	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C#N)c(Cl)c2)c1C	929084626	GNELZHBZWOOVKL-RQZCQDPDSA-N	366.852	4.586	50	20	FJGD	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccn3)c2C)cc1	7155267	PMGUUYFEYVZQMF-XSFVSMFZSA-N	371.440	4.730	50	20	FJGD	
Cc1cnccc1NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	188040619	MBOSWIXGVATONV-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1cc2cc(F)ccc2s1	192522061	LMXLMGATYOJQQS-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
Cc1ccccc1S[C@@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	213848066	FQAUODSURJFRAQ-AZDDOORDSA-N	352.484	4.998	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCc2[nH]ncc2C1	273969621	RFWMDKDQEGFJOD-SECBINFHSA-N	367.343	4.811	50	20	FJGD	
CN1CC=C(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	277172938	HXZUOHWRRAZPMB-UHFFFAOYSA-N	371.375	4.727	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1C	730259868	FUZAKFSBBUHUSC-GHXNOFRVSA-N	369.421	4.621	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)N(C)C3CCCCC3)s2)cc1	734304783	WLSLATNAZBWZDA-ATVHPVEESA-N	365.502	4.817	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)C(=O)c2ccccc2F)c1Cl	734752910	LGOGZDYKFMRNGL-KAMYIIQDSA-N	365.795	4.669	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc(F)cc2F)cc1F	735331315	LSPPUFDMLWEOJR-UHFFFAOYSA-N	374.337	4.975	50	20	FJGD	
Cc1cccc(O[C@@H](C)CNC(=O)CCCC[C@H]2CCSS2)c1	742118507	KIDYAAWBOVXMKC-RDJZCZTQSA-N	353.553	4.593	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccccc1F	748059098	HWNNDTUCIFKQIY-UHFFFAOYSA-N	356.422	4.710	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(Cl)cc(Br)c1	748335786	ZQRISQOXHBQUJE-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3coc(-c4ccccc4)n3)nc(O)c2c1C	749887642	XWLBVBOLXGGJSD-ZSOIEALJSA-N	374.425	4.733	50	20	FJGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)C12CC3CC(CC(C3)C1)C2	751521994	OCZYBTZTFUATRA-UHFFFAOYSA-N	371.531	4.538	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	751792585	VHTVTRRHBBOPOO-GDNBJRDFSA-N	360.392	4.515	50	20	FJGD	
COc1ccccc1/C(C)=C/C(=O)NNc1cc(Cl)ccc1Cl	752813192	RCQCDMBSSSDDSK-PKNBQFBNSA-N	351.233	4.549	50	20	FJGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	764411370	JMDVNFIZBFXWDO-WTKPLQERSA-N	353.230	4.609	50	20	FJGD	
C/C(=C/C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1Cl	775271154	CJWAGCWXEZEPFP-TWGQIWQCSA-N	356.640	4.588	50	20	FJGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cc(Cl)ccc1Cl	775782508	YBSFGTQDDFEZPW-UHFFFAOYSA-N	355.269	4.616	50	20	FJGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1cc2ccccc2s1	788362247	GUTPDSIREIZGSP-DTQAZKPQSA-N	355.422	4.877	50	20	FJGD	
Cc1cccnc1NNC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1	792307541	BFDCNGBPQCZTGS-INIZCTEOSA-N	362.433	4.679	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(C)c1OC	806554133	LBONFQWDSIAWOC-JYRVWZFOSA-N	359.784	4.595	50	20	FJGD	
CC(C)OCc1cc(NC(=O)CCCC[C@@H]2CCSS2)ccc1O	811592323	BWYFEQNMDXLUEF-MRXNPFEDSA-N	369.552	4.970	50	20	FJGD	
Cc1nnc([C@@H](C)N2CCC(CO[Si](C)(C)C(C)(C)C)CC2)s1	844344528	AQMUFQINGCLKNO-CYBMUJFWSA-N	355.624	4.641	50	20	FJGD	
CC(C)Oc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)c1	918104574	RZQDSHXEWBJJRN-QGZVFWFLSA-N	353.553	4.804	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCc3cc(C)ccc32)c1C	919869767	DTPXUQBMANFVLN-WLJFKGHSSA-N	361.489	4.534	50	20	FJGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1cc(Cl)cc(Cl)c1	921138234	AMMPCEZZVCTVBZ-AUWJEWJLSA-N	374.223	4.945	50	20	FJGD	
C[C@H]1CCC[C@@]1(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776637558	XOBBMBLYCDKRJA-YWZLYKJASA-N	363.574	4.804	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)c1nc2ccccc2[nH]1	51011616	FKLYEUDODMIQBW-KAMYIIQDSA-N	359.820	4.775	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cn2)sc2ccc(F)cc12	132199193	GOZKUTBXCAZFMU-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)c1C	171218410	NRNYSHMMADQIMM-QGOAFFKASA-N	353.425	4.962	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)c1ccccc1OC(F)F	183400798	YYMAFJGSOVJOLN-XYOKQWHBSA-N	365.282	4.679	50	20	FJGD	
Cc1n[nH]c(SCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	183997288	VDMPLYWBDQGGRY-UHFFFAOYSA-N	374.360	4.501	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(Cl)cc1F	255777049	SGLOSNOPMKIJPW-QPEQYQDCSA-N	369.758	4.594	50	20	FJGD	
C/C(C=NNC(=O)Cc1nc(-c2ccccc2)cs1)=C/c1ccccc1	730568082	BZHRJYQPBFLNDT-RODMOWRHSA-N	361.470	4.558	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCC1(c2cccc(F)c2)CC1	739754586	PMJFQLUPTPSUEF-INIZCTEOSA-N	353.528	4.688	50	20	FJGD	
Cc1nnc(-c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)o1	743478201	SMJOHWLDLVQTQF-HNNXBMFYSA-N	363.508	4.698	50	20	FJGD	
CCCc1cc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)sc1C	748702310	BEKYSFOIPAOMLX-UHFFFAOYSA-N	372.412	4.707	50	20	FJGD	
CCC(=NNC(=O)c1ccc(F)cc1Br)C1CCCCC1	750933929	DAZCOFXZRTWADO-UHFFFAOYSA-N	355.251	4.664	50	20	FJGD	
CC(C)(C)C(=O)NN=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755648595	IVOORGQFEAPOQH-UHFFFAOYSA-N	356.278	4.613	50	20	FJGD	
CCCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccc(C)cc1	760103386	HURGLXGYRCPZFE-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccc[nH]3)c2C)c1	760723781	BIWOUTWSMLWSDM-VJOZSWGJSA-N	372.472	4.515	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1OC(F)F	775639809	VJUWORBARUZMAH-USFPABIYSA-N	370.311	4.542	50	20	FJGD	
C=CCSc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	777173399	XKPUAFWCHVDBJK-UHFFFAOYSA-N	352.381	4.740	50	20	FJGD	
CC(C)Oc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(Cl)c1	781761233	XJNYIKOYJNSUDC-NTEUORMPSA-N	358.800	4.812	50	20	FJGD	
Cn1ncc(Cl)c1CNc1ccccc1S[C@@H](Cl)C(F)(F)F	783581678	ARZKLIWBQHNTIB-GFCCVEGCSA-N	370.227	4.905	50	20	FJGD	
C[C@H](C=NNC(=O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	788963739	KIBIOWVWGPYOHI-LLVKDONJSA-N	354.759	4.878	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cn1	797787691	ZDOLTCKFDDMMAR-LDADJPATSA-N	357.388	4.778	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1ccc(Cl)cc1Cl	810197252	SSPBDROGDKHNFU-ZSOIEALJSA-N	371.223	4.858	50	20	FJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1cccc(-n2cccn2)c1	811482018	DSSBADJPMPXAHB-QGZVFWFLSA-N	369.896	4.731	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1ccsc1	811628070	MNFUOZRRPMDAEQ-KMKOMSMNSA-N	353.186	4.753	50	20	FJGD	
COc1cc(C(=O)NNc2c(C)cccc2Cl)cc(OC)c1C(C)C	836933752	OOEYDXZAKKMBRM-UHFFFAOYSA-N	362.857	4.546	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2coc(-c3ccc(C)cc3)n2)cc1	913228937	SMHXLGJMJLFTPH-YBFXNURJSA-N	358.397	4.609	50	20	FJGD	
Cc1ccc(-n2c(C)cc(C(=O)/C(C#N)=C\c3c(C)n[nH]c3C)c2C)cc1C	915985433	UQOWFQQWXJANEX-ODLFYWEKSA-N	372.472	4.841	50	20	FJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(F)cc1Br	917549729	AWRQMUBIGUFNAH-NWDGAFQWSA-N	367.262	4.664	50	20	FJGD	
C[C@@H]1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)c2ccccc2O1	1324792172	YZXGDOFGWWEJCP-IJEWVQPXSA-N	351.537	4.729	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(Cc3cccs3)o2)c(C)n1CC(C)C	1326080357	KTKGWYRJKZFWFJ-RQZCQDPDSA-N	366.490	4.860	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1C	10404817	SNGUDMYOPBVAGW-IREQLNLFSA-N	371.868	4.511	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	39486103	RZDKMBLGZCEWST-LCYFTJDESA-N	361.228	4.938	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1occc1CSc1ccccc1	73076227	UMDSHTOCJYHHLZ-UHFFFAOYSA-N	358.850	4.982	50	20	FJGD	
O=C(NNc1ccnc2ccccc12)c1nc(-c2ccccc2)oc1C1CC1	106923252	AYDJFGSADGOHHP-UHFFFAOYSA-N	370.412	4.524	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1cc(Cl)ccc1Cl	127198584	UJZQLPVRHPJPIY-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnc(C3CCCC3)s2)c(C)c1	128707105	UHHLIAZNMVXMKP-MHWRWJLKSA-N	351.475	4.963	50	20	FJGD	
CC[C@H](NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1	732917834	PJLHAJLCPSZPBC-NRFANRHFSA-N	360.457	4.505	50	20	FJGD	
CCc1ocnc1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	739500208	YHQZYLGIAARPCG-CYBMUJFWSA-N	364.776	4.709	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)c(C)c2)cc1	741723525	XAAQSNXDJKGXIC-AQTBWJFISA-N	364.445	4.727	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)[C@@H](c2ccccc2)CO1	742970956	IXMHFDASZMWRIA-BPQIPLTHSA-N	365.564	4.689	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	748361960	ACCRGWCKQIKNHM-MYMYQCDVSA-N	366.427	4.895	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(Cc1ccco1)CC(F)(F)F	749385463	VWCKKSREUHPBRV-CYBMUJFWSA-N	367.458	4.885	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2cccc(Nc3ccccc3)c2)cc1Cl	753322914	RHVWOAFJTMZCBT-UHFFFAOYSA-N	362.820	4.712	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1cccc(Cl)c1Cl	755405111	XGBUQXYUINVGMC-WMZJFQQLSA-N	353.155	4.817	50	20	FJGD	
CC[C@H]1CCCC1=NNc1ccc(C(=O)NN=C2CCC[C@H]2CC)cc1	758362439	TUJXBVWJMYFMHP-JKSUJKDBSA-N	354.498	4.961	50	20	FJGD	
COC[C@H]1CCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762981223	YWSQRYBPNIDUAJ-LLVKDONJSA-N	360.348	4.987	50	20	FJGD	
CSc1ccc(NC(=O)NNc2ccc(F)c(F)c2F)cc1Cl	770059688	XJQUHIZEGJFIRZ-UHFFFAOYSA-N	361.776	4.628	50	20	FJGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1OC	773155001	PYFJDFCPTXYTAD-NTUHNPAUSA-N	359.784	4.595	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Cl)c1OCC	779753827	YGMJISGTXXRVOA-QINSGFPZSA-N	370.836	4.683	50	20	FJGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)C1CCCC1	781554221	IRQVTOIBWGFJOW-XMHGGMMESA-N	368.440	4.601	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2cccc(F)c2)cc1)c1ccccc1	788511963	ADSSQUUFUMAXPF-HNNXBMFYSA-N	350.393	4.723	50	20	FJGD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1cc(Cl)cc(Cl)c1	791714853	CPZBJVLUSFXFNW-UHFFFAOYSA-N	368.220	4.584	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2ccc(Cl)cc2)c(OC(C)C)c1	792400373	AMTNWOWIZGNQPR-UHFFFAOYSA-N	362.857	4.673	50	20	FJGD	
C=C(CBr)CN[C@H](CCOC)c1ccc(Cl)c(Cl)c1	792928412	SYPQUBGMCMJOQQ-CQSZACIVSA-N	367.114	4.612	50	20	FJGD	
CC(C)(CC(=O)NNC(=O)c1c(Cl)cccc1Cl)C1CCCCC1	793384525	MNYCSEDGJGBEEG-UHFFFAOYSA-N	371.308	4.751	50	20	FJGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1ccc(C(F)(F)F)cc1	799099918	IIALFPRMOOHTDK-JTQLQIEISA-N	365.380	4.562	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1coc(-c2ccccc2Cl)n1	799759492	PELRRLQZYNXEHY-UHFFFAOYSA-N	355.825	4.623	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)ccc1OC	812247141	ZMFKHBBOIYSDHR-NTEUORMPSA-N	362.351	4.962	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(-c2ccccc2)n1	812247175	ZVLJVQZOSRWFGJ-ZROIWOOFSA-N	354.335	4.565	50	20	FJGD	
Cc1cc(C(=O)NNc2c(C)cccc2C(C)C)c2cnn(C(C)C)c2n1	812767249	GYUHWMFHWIGXDH-UHFFFAOYSA-N	365.481	4.509	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(C(F)(F)F)cc1	915971898	FEILHEXNKGQSKO-UHFFFAOYSA-N	356.347	4.551	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc(Cl)c1O	916132326	YRFUAPSYXAOWAG-ZSOIEALJSA-N	367.792	4.558	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1c(C)[nH]c3ccccc13)O[C@@H](C)C2	916549651	WYWGALPDNNITJB-OLWAXZHHSA-N	372.424	4.598	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1	918620646	FZUXGGRQKSUGHB-CQUHBBLWSA-N	374.440	4.924	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)c1	920158214	BSCLXGMNRZTBTF-IYVNWDGISA-N	359.784	4.699	50	20	FJGD	
Cc1nn(CCCl)c(C)c1-c1nnc(CC23CC4CC(CC(C4)C2)C3)o1	1331862817	BRYKUQPBPTYPPB-UHFFFAOYSA-N	374.916	4.548	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(OC(F)F)c(C)c1	7157036	UYQUPMYKTFGDDB-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1)c1ccccc1	7157266	SUGNRCFOCJSVIG-IGVUGNCQSA-N	362.401	4.520	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2F)c1C	21354542	NNBYPFJMJIVJTP-XNTDXEJSSA-N	359.832	4.853	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)c3nc4ccccc4[nH]3)cs2)cc1	63275513	WAHDARCZWDTMNY-GDNBJRDFSA-N	372.453	4.971	50	20	FJGD	
CCCN1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184419709	KBSYZQPKWSJCJA-UHFFFAOYSA-N	373.391	4.904	50	20	FJGD	
O=C(NNc1ccncc1)Nc1cccc(S(F)(F)(F)(F)F)c1	186773852	VHWXPNREVIVYSR-UHFFFAOYSA-N	354.304	4.888	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(OC2CCCC2)CC1	195462113	HYSQBMHDGRCKBX-KRWDZBQOSA-N	357.585	4.651	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)Nc2ccccc2F)cccc1OCC	211424337	QYIBLVSZKRKZHX-SSZFMOIBSA-N	368.408	4.559	50	20	FJGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	211583645	ZZXBAPJYKWXYFP-KAMYIIQDSA-N	371.223	4.551	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1)c1ccccc1	214386613	IQHMXYYDTLJXIR-FKZYXTMDSA-N	362.326	4.629	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl	727263957	LCUKPCCHTVKAGA-BOPFTXTBSA-N	373.861	4.552	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1cc(-c2ccccc2)ccc1Cl	743819573	WGDDOYWOBFGNNX-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1OC	747033122	DDYSTGQNRBCFAV-CXUHLZMHSA-N	353.443	4.810	50	20	FJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3cc(C)cc(C)c3)s2)cc1	747543281	BFQHOJURRYNBIX-UHFFFAOYSA-N	367.474	4.501	50	20	FJGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)c1nc2ccccc2n1C(F)F	760265586	WONSJDSCNXAQPH-RVDMUPIBSA-N	361.355	4.681	50	20	FJGD	
CCCc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)sc1C	761581395	OWBVEOSKISGNCJ-UHFFFAOYSA-N	358.385	4.665	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1Br	765613381	QQHSYHASSGUBJR-TWGQIWQCSA-N	365.133	4.700	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1CCC(C(F)(F)F)CC1	768088697	RZADOKBJPJCJAK-UHFFFAOYSA-N	354.294	4.517	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1CCC(C(F)(F)F)CC1	768089793	CIAGUSVYBVTTMI-UHFFFAOYSA-N	354.294	4.517	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(F)cc2C(F)(F)F)n1	771837374	IFDCLBXXWNVJML-YHYXMXQVSA-N	370.327	4.542	50	20	FJGD	
CC(C)=CCCNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773733560	XRZKWNLIQQPZSA-UHFFFAOYSA-N	372.359	4.755	50	20	FJGD	
O=C(COc1ccccc1-c1ccccc1)NN=Cc1cc(Cl)cs1	782135210	IXAAAAIKDCHROB-UHFFFAOYSA-N	370.861	4.598	50	20	FJGD	
Cc1csc([C@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)C2CC2)n1	790391789	XSEGHWFPGQIDJH-CYBMUJFWSA-N	371.293	4.536	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cccc(-c2cc[nH]n2)c1	792376864	OSXRSTVUJYJJGG-UHFFFAOYSA-N	362.220	4.532	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c(OC(F)F)c1	809146676	RYJQYFZZBXCYHP-SXGWCWSVSA-N	357.356	4.703	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1cncc(C)c1	839236448	TULXJKNPPIDXHG-UHFFFAOYSA-N	353.491	4.659	50	20	FJGD	
COC(=O)[C@@H](C)c1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	839821381	RTLRQJVKVNGYMU-XJKSGUPXSA-N	367.536	4.616	50	20	FJGD	
Cc1ccccc1NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	865526665	VRGUCYOKCKUKJQ-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)Cc2ccsc2)c1C	918666465	WIVPCYORZCFJDP-RVZJCZPVSA-N	369.534	4.621	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1	920068996	XSFGYDNTDKPONC-YVLHZVERSA-N	366.424	4.965	50	20	FJGD	
CN(N=Cc1sc(Oc2ccccc2)nc1Cl)C(=O)OC(C)(C)C	920378473	ZGNCLVUZMOLKAK-UHFFFAOYSA-N	367.858	4.790	50	20	FJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)Nc1cccc2ccccc12	920755888	SZSANORDMIEJGT-XNTDXEJSSA-N	372.815	4.687	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1O	921138683	YQLAJWNSCXSSJP-WLRTZDKTSA-N	362.212	4.888	50	20	FJGD	
CC(C)c1ccc(C2(C(=O)NNc3cc(F)c(F)cc3F)CCC2)cc1	1318584476	JVTPWBKHUKTEJB-UHFFFAOYSA-N	362.395	4.792	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)cc1Cl	1319148026	YWCYETOPDOFZIU-UHFFFAOYSA-N	373.884	4.698	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1	1320011554	CLJRFDPSLFTNEE-UHFFFAOYSA-N	367.836	4.901	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3cc(C(F)(F)F)ccn3)cc2)cn1	1330058705	QGPSRSOIBZXGTP-OVCLIPMQSA-N	354.335	4.565	50	20	FJGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(C#N)cc2)cs1	66407913	RFFKZZIUZLNEGP-PXNMLYILSA-N	358.382	4.654	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1	74528762	SNGNZKIRHZSCCG-UHFFFAOYSA-N	360.672	4.606	50	20	FJGD	
COCc1nc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc2o1	79689535	ITDVURRVPVQQLX-ZDUSSCGKSA-N	366.508	4.627	50	20	FJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)C(C)(C)C	96663122	ZAQJVVZTFJKERQ-ZROIWOOFSA-N	359.832	4.555	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2cccc(C#N)c2)cc1F	152352309	CFQLCUBRVFQSLV-UHFFFAOYSA-N	363.367	4.569	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc2nncn2c1	186076910	NDQPDCSZCDSEFI-UHFFFAOYSA-N	364.299	4.639	50	20	FJGD	
COc1ccc(C(=O)CCCCCC(=O)NNc2cc(C)cc(C)c2)cc1	190820522	MYIFOLLWNQEDAG-UHFFFAOYSA-N	368.477	4.589	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc(C)cc3s2)cc1	206266938	NKAPMMSALGGPKU-PTNGSMBKSA-N	363.442	4.549	50	20	FJGD	
Cc1ccsc1/C=C(/C#N)c1nc(O)c2c3c(sc2n1)CCCC3	255619674	VJLFQDUETKUKIP-FLIBITNWSA-N	353.472	4.710	50	20	FJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cc(F)ccc1Br	728436228	MLQBKISOVYOHCY-NSHDSACASA-N	355.251	4.664	50	20	FJGD	
COC(=O)c1cc(Cl)cc(NC(=O)CCCC[C@H]2CCSS2)c1	736257518	SLDXEUGLEMMUPQ-AWEZNQCLSA-N	373.927	4.779	50	20	FJGD	
O=C(NN=C(CC(F)(F)F)c1ccccc1)c1cccc2ccccc12	741463119	ZNKISWXXZWJHNQ-UHFFFAOYSA-N	356.347	4.926	50	20	FJGD	
N#Cc1ccc(Nc2cccc(C(=O)NNc3ccccc3Cl)c2)cc1	748303378	QUTQQQPPIFUFGH-UHFFFAOYSA-N	362.820	4.712	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(C2CCCCC2)cc1	755858559	ZRSBOSRRJBHQRE-UHFFFAOYSA-N	369.412	4.967	50	20	FJGD	
C[C@@H]1CCc2c(C(=O)NNc3ccc(OC(F)(F)F)cc3)csc2C1	761590769	RTBJUXBVPUYCMM-SNVBAGLBSA-N	370.396	4.528	50	20	FJGD	
Cc1noc([C@@H](C)NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	762978841	SAMHAXMTJITAPD-SSDOTTSWSA-N	372.319	4.918	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1Br	764892605	XFBQSOSPCKNYFI-OQLLNIDSSA-N	356.219	4.556	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1	769837408	ZMZMLBUWJRYCOB-GRSHGNNSSA-N	372.390	4.553	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1	771142493	BUTDDIMFKDJSKQ-UHFFFAOYSA-N	374.416	4.630	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2cccc(F)c2Sc2ccccc2)c1	781348500	IVLKRSUMGBGUPT-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)c1ccc(Cl)s1	783688463	YHTFMXLMYJMRRK-YFHOEESVSA-N	352.640	4.954	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[C@@H]1CCCOC1	789147208	GORLMSSWGXIKLB-LSCADSNKSA-N	351.833	4.910	50	20	FJGD	
COc1cccc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)n1	790976015	ADSZVXYMGDWEBQ-CQSZACIVSA-N	362.804	4.922	50	20	FJGD	
C=C(CBr)CN1CCC[C@H]1c1ccccc1Br	791472318	JNWNNXBYSWINKN-AWEZNQCLSA-N	359.105	4.537	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c1	799704700	GUHGCCREZDLMBX-UHFFFAOYSA-N	371.227	4.617	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)C(=O)c1ccc(F)cc1	799891010	HOBJAIXJIFMABZ-YFHOEESVSA-N	366.136	4.656	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)Nc1cc(Cl)ccc1Cl	811686197	PYXFGZAWTJQATR-WDZFZDKYSA-N	360.175	4.550	50	20	FJGD	
Cc1ccsc1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	915852370	ZRXDNKPZRACAEO-XFFZJAGNSA-N	358.271	4.702	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1SC	60210980	ZZGYVTOUMCAQRL-LCYFTJDESA-N	358.850	4.616	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177610113	WJTRWBBYYRFRNX-UKTHLTGXSA-N	351.456	4.726	50	20	FJGD	
C[C@@H](C1CC1)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193034105	WUEIBIBKSOOAGC-VIFPVBQESA-N	372.359	4.539	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2OC)cc1	211682637	UTBIREYABLURQG-PWDRBQJJSA-N	364.445	4.763	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2F)c1C	214342456	PRYNZPJVTFQMLS-DHDCSXOGSA-N	359.832	4.853	50	20	FJGD	
COCCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1	255755765	MHCOUJGTKIMFKX-QINSGFPZSA-N	369.371	4.521	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)cc1	730436862	MXYDPDWWMPUJDZ-XFXZXTDPSA-N	362.248	4.699	50	20	FJGD	
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1ccccc1	734266359	UHSWULPQKFDQGL-HXUWFJFHSA-N	370.456	4.626	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1Cl)C(=O)Nc1ccccc1	742346112	GERZDICUEOOFDX-XYOKQWHBSA-N	361.626	4.648	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccn1Cc1ccccc1	748017606	FXJAZHJJTYWIJF-UHFFFAOYSA-N	360.244	4.600	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1	748118057	YWFHQNPGYVIQOF-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1c(Cl)cccc1Cl	748747568	ADWMXKXSNLLSNC-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1Cl	753890223	ZSCRUZCFYSXDIQ-WUXMJOGZSA-N	350.176	4.931	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)Nc1ccc(F)c(Cl)c1	760211144	NCSCPUZMUSBGKS-WDZFZDKYSA-N	361.829	4.749	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Oc2ccccc2)nc1	763625029	SKYPTCUWXABDDH-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1Br	764892603	XFBQSOSPCKNYFI-DHDCSXOGSA-N	356.219	4.556	50	20	FJGD	
COc1ccccc1[C@@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	767983212	LHJSWBGCYZFPFY-HOCLYGCPSA-N	368.315	4.558	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Cl)c2ccccc2n1	774414367	PTERMKAZWLVDFS-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=C(C)C2CCSCC2)cc1	777424586	SDHDUFCXEWULIJ-UHFFFAOYSA-N	362.539	4.895	50	20	FJGD	
Cc1cccc(-n2ncc(C(=O)NNc3ccc(C(C)(C)C)cc3)c2C)c1	780802527	OEBFNUOUFLCDAJ-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2cn(C)nc2C2CCCCC2)ccc1[N+](=O)[O-]	783712233	DTDMNLDIKQAFAC-BOPFTXTBSA-N	350.422	4.749	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@H](C)C[C@@H]3C)s2)cc1	783821200	KNMLYDZDZPHUCD-STQMWFEESA-N	371.506	4.548	50	20	FJGD	
C[C@@H](O)C[C@H]1CCCN1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	788021226	LVFFMSUHCUVSID-YLJYHZDGSA-N	363.618	4.944	50	20	FJGD	
O=C(O)c1nc(/C=C/c2cccc(CCl)c2)sc1Br	806565251	LKVDONKGIMDEKB-SNAWJCMRSA-N	358.644	4.513	50	20	FJGD	
CC[C@H](CS(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)OC	817356460	LUHXUFUWLIYFFC-SNVBAGLBSA-N	369.377	4.511	50	20	FJGD	
CC(CCCCC#N)=NNC(=O)c1ccccc1OCc1ccc(F)cc1	841607722	XSMKHOFXMXTVJV-UHFFFAOYSA-N	367.424	4.594	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCO[C@H](C(C)C)C1	901850405	LXSKAPHJTQEBAW-AEFFLSMTSA-N	360.523	4.774	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(Cl)c1	915991205	ZSOLJBLAKQTQDF-WUXMJOGZSA-N	354.768	4.759	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc(Cl)c1O	916130997	KAGLZZBZCPVVOO-AUWJEWJLSA-N	367.788	4.980	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)OCCSc2ccc(Cl)cc2)c1	916604602	JWMPGDUIIQYEOS-PTNGSMBKSA-N	373.861	4.591	50	20	FJGD	
O=C(NN=Cc1c(F)cccc1F)c1ccc(-c2ccc(F)cc2)s1	917029429	ICIMALLUNQRJCS-UHFFFAOYSA-N	360.360	4.596	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2csc(-c3ccsc3)n2)n1	920388418	WWARKBQTXBVOIE-VZUCSPMQSA-N	373.484	4.569	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(C(=O)O)c(Cl)s2)s1	1776277057	KHUKYUDQUFLFNK-YWEYNIOJSA-N	352.868	4.918	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2cccnc2)nc2ccccc12	36226658	OHVLIAMGRSUWBF-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
C[C@@H](O)[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192255544	YHKWUKFSMKVTDO-ZJUUUORDSA-N	360.348	4.579	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cccc1OCC	211409349	SEYJCBJYXHTEAQ-SSZFMOIBSA-N	368.408	4.559	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1	729273135	HWPVLNNYJLOVJC-UHFFFAOYSA-N	358.850	4.834	50	20	FJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)s1	731158859	KKJWALKCNMJJCS-CLFYSBASSA-N	352.278	4.924	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)cc(Cl)c1OC)c1ccccc1	731933520	ZAVHWZJXPYCLBY-OAHLLOKOSA-N	365.260	4.646	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CCC[C@@H](C3CC3)C2)cc1OC	737422563	JRPQOQLRPMJLKK-MRXNPFEDSA-N	358.482	4.560	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1	741470584	RVXWVZKGBJPRRZ-VMOJBDSFSA-N	351.402	4.645	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743455661	QIFSOZSZUGRRGW-NEPJUHHUSA-N	357.187	4.518	50	20	FJGD	
C=CCSCCNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	745115401	IQEWXEQKEMVOIA-RGEXLXHISA-N	371.550	4.553	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1	746883135	QCRDOQWWQUCXHL-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2sc3cccc(Cl)c3c2Cl)c1	748033448	VBYLQYIXDQBOLL-UHFFFAOYSA-N	362.241	4.837	50	20	FJGD	
O=C(NNc1ccc(F)cc1)C1(c2ccc(Cl)c(Cl)c2)CCC1	749340154	IWEKCQZGJXKUJH-UHFFFAOYSA-N	353.224	4.698	50	20	FJGD	
CN(Cc1nccn1C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753926334	YHKLBDLBUJACCH-UHFFFAOYSA-N	370.347	4.741	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2nc(C(C)C)n3ccccc23)cc1	755628504	ZDEKPAZIQFLRSQ-LGMDPLHJSA-N	358.445	4.566	50	20	FJGD	
C[C@@H](Sc1nc2ccccc2s1)C(=O)NNc1cccc(Cl)c1	762943992	NJBGPJCMSIWTGQ-SNVBAGLBSA-N	363.895	4.574	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccc(F)c(F)c2F)c(Cl)c1	771422680	VKYQNUSKCQSXGS-UHFFFAOYSA-N	372.774	4.693	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ncoc1-c1ccc(F)cc1	771432005	NIFWLEOFUTXATM-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(C(F)(F)F)cc1Cl	775544604	HNUSMBPQWYYXNX-UHFFFAOYSA-N	368.786	4.995	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1ccccc1Cl	779751063	FOGXPJHWVUVOQJ-RAXLEYEMSA-N	361.228	4.938	50	20	FJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1ccc(OC(F)F)cc1	780004250	JJTWILJHIQWJEX-YVLHZVERSA-N	350.324	4.626	50	20	FJGD	
N#C/C(=C/c1cccc(Br)c1OC(F)F)C(=O)C1CCCC1	781555927	SHRUMYWFGDZECX-WQLSENKSSA-N	370.193	4.717	50	20	FJGD	
COc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)c(OC(C)C)c1	789820442	DIWCRGGXURVJEZ-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3cccc4cccnc34)cc2)cc1	802825328	MXZBFVXXQUUAKM-UHFFFAOYSA-N	364.408	4.530	50	20	FJGD	
Cc1nn(C)c2sc(C(=O)/C=C\c3ccc(OCCCCl)cc3)cc12	811695075	WVVSEHYLNHKXOO-TWGQIWQCSA-N	374.893	4.847	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCOC2(CCCCC2)C1	813107318	LVURPPMUUCVLHC-QGZVFWFLSA-N	359.514	4.626	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCc3sccc3[C@@H]2C)c1C	824620508	RSJLHPCDIYQTKT-JIHKLPAASA-N	367.518	4.629	50	20	FJGD	
C[C@]1(CNC(=O)c2c(Cl)cc(Cl)cc2Cl)C[C@H]1Br	857686632	BRIXLTUGLBHOKS-BXKDBHETSA-N	371.489	4.550	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)[C@H](C)c2ccco2)c1C	920006447	UXCNTBKCMAMKBS-MCRQTXEHSA-N	365.477	4.767	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2OC2CCCC2)cc1	920064911	NNWYYLRTQCTYJK-XSFVSMFZSA-N	367.470	4.655	50	20	FJGD	
CCOCc1ccc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1	1319839003	UYVSZMKNRNFOSL-UHFFFAOYSA-N	354.237	4.679	50	20	FJGD	
Cc1ccc2c(CC(=O)NNc3cccc(C(F)(F)F)c3)coc2c1C	57351355	YXULFMDMHYBKQK-UHFFFAOYSA-N	362.351	4.754	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)cc1	57399606	BSGGWSPAJXQNDG-YBEGLDIGSA-N	370.246	4.897	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccc2ccccc2n1	128625244	XKQCYEZVFJXOID-UHFFFAOYSA-N	357.866	4.757	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2SCc2cc(C)no2)c1	153043474	MLLQFYXHOGLJIX-UHFFFAOYSA-N	367.474	4.649	50	20	FJGD	
Cc1sc(C(=O)NNc2ccncc2Cl)cc1-c1ccc(F)cc1	154895866	UNQARIKQBJSXLJ-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
CCSc1cccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1	184751747	FXHNWVBUMYCVSC-RIYZIHGNSA-N	367.499	4.778	50	20	FJGD	
O=C(CN1CCCCCC1=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186050439	TVUFTKRQGCQIOC-UHFFFAOYSA-N	372.359	4.685	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1cccc(F)c1	194531816	VPVGGRWVBDHVOC-MLPAPPSSSA-N	367.273	4.696	50	20	FJGD	
N#C/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1ccsc1	255632318	YSLACDKRXBMGFS-MLPAPPSSSA-N	367.411	4.570	50	20	FJGD	
C/C(=C/C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1Cl	727368411	XVNMRANLGRTBHV-KHPPLWFESA-N	354.759	4.905	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3cccc(Cl)c3)cc2)oc1C	727969546	MHXHXEDXEGDGKE-UHFFFAOYSA-N	356.813	4.760	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(Br)c2)s1	729820424	QPBUPYVCRFQYSD-WDZFZDKYSA-N	350.212	4.748	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(-c3ccccc3)[nH]2)ccc1Br	734254104	PYGKARNZJHAUCJ-UHFFFAOYSA-N	370.250	4.510	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1Cl	741468034	QVMBZALALKSFAY-ZSOIEALJSA-N	350.805	4.928	50	20	FJGD	
Cc1cc2occ(CC(=O)NNc3ccc(Cl)nc3)c2cc1C(C)C	743816136	KURKSAGUNYYIRC-UHFFFAOYSA-N	357.841	4.599	50	20	FJGD	
Cc1ncc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)s1	748625213	MTVIMWDKMRSAIH-LBPRGKRZSA-N	366.817	4.923	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cccc(C)c2OC(F)F)ccc1[N+](=O)[O-]	777918473	APBVHGDBQCLTOQ-RIYZIHGNSA-N	360.316	4.577	50	20	FJGD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(Cl)cc1	780657529	TWNLCSCTCYKCTD-UHFFFAOYSA-N	365.842	4.507	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cn(CCCC#N)c2ccccc12	799757990	RVJHBQQDFPPCKO-UHFFFAOYSA-N	360.461	4.573	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@H]1O	806400783	FFQHQGMJDHFVLT-BXKDBHETSA-N	360.348	4.579	50	20	FJGD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C(/C#N)C(=O)c1ccoc1	806556552	DCFCOKUJEKWFGA-WQRHYEAKSA-N	359.429	4.612	50	20	FJGD	
Cc1ccc(-c2nc(CC(=O)NNc3c(C)cccc3C(C)C)cs2)o1	812766547	RMBOZFYNTDLEJN-UHFFFAOYSA-N	369.490	4.829	50	20	FJGD	
CCC(=O)Nc1ccc(NC(=O)NNc2c(C)cccc2C(C)C)cc1	812923084	OWFLCQAIFOPAKR-UHFFFAOYSA-N	354.454	4.616	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(Br)cc(C(F)(F)F)c1	834447798	SGWQWDDKYXJLKQ-YCRREMRBSA-N	364.136	4.692	50	20	FJGD	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NNc1ccc(C(C)C)cc1	836288748	RJJMAYOPDLKQEE-UHFFFAOYSA-N	366.465	4.616	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)oc12	915847198	NMAPECNKPFKMHF-BOPFTXTBSA-N	360.413	4.912	50	20	FJGD	
O=C1/C(=C/c2cnn(CCCl)c2)CCc2cc(SC(F)F)ccc21	103250828	YEYUUSUFNGAOEY-NTUHNPAUSA-N	368.836	4.649	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)c1ccc(Br)s1	107067105	WUDAVMRQNKMDNW-BAQGIRSFSA-N	372.165	4.718	50	20	FJGD	
NC(=O)c1cccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c1	183985102	PDRLTNGZZWNJBV-UHFFFAOYSA-N	366.311	4.695	50	20	FJGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)c1cnc2ccccc2n1	191361292	TYVQVLVWIVLZSA-UYRXBGFRSA-N	364.408	4.668	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc(Cl)c1OC	212698438	QGGDDHHEEMQGNX-ZSOIEALJSA-N	359.784	4.676	50	20	FJGD	
Cc1nnc([C@@H](C)NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[nH]1	287008405	FUNXJLVWHMCZAB-SSDOTTSWSA-N	371.335	4.653	50	20	FJGD	
CSCCCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	736956421	WSJJCQCRXXLTBP-LLVKDONJSA-N	372.865	4.781	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc3c2OC(C)(C)C3)c(C)c1	737444527	SKDLTYQHMVDYEQ-YBFXNURJSA-N	360.457	4.871	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2cc(C)nc3ccccc23)cc1	744133068	FUVNUISBEWPUFE-AQTBWJFISA-N	372.424	4.592	50	20	FJGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1ccc(Cl)cc1Cl	748008178	PMGUEAQWEMAWNA-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
CC[C@@]1(O)CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	752978115	JYBFKFNUECXDKP-CYBMUJFWSA-N	360.348	4.723	50	20	FJGD	
CCC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762639012	FZOXJJRHJJGJDB-SECBINFHSA-N	360.348	4.587	50	20	FJGD	
N#C/C=C\CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1	763303578	ZGIOHKXBTYOJPE-SREVYHEPSA-N	366.877	4.819	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)c2cccc(F)c2)cccc1OCC	772179508	QWMAUKYTHAQCTC-ATVHPVEESA-N	353.393	4.803	50	20	FJGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)c(Cl)c1	773154205	KMKHMBYHYUFBSV-KVICFZKQSA-N	356.740	4.733	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2cccc(C#N)c2)c1	776710857	LQWCUHMVYCZMCR-UHFFFAOYSA-N	351.475	4.658	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CC=CCC1	779013367	LHKZMZMAADSJLS-GFCCVEGCSA-N	350.793	4.700	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2csc3ccccc23)cc1	787151916	UBMNWHLVIQEQLO-HNDQUVLASA-N	362.454	4.694	50	20	FJGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)c1cc2ccccc2s1	788329398	VCBJZSYQSWCMLA-LFIBNONCSA-N	361.422	4.852	50	20	FJGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1cc(Cl)cc(Cl)c1	791727087	LZIADQDBHOICNH-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNc1ccc(F)c(F)c1F	797655440	VIFFQLIYGRJMHJ-UHFFFAOYSA-N	372.350	4.623	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3nccnc3C3CCC3)sc2c1	805461271	ZKPMHHUCDGCRJB-UHFFFAOYSA-N	372.881	4.678	50	20	FJGD	
CC(C)n1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1	806571774	ZDLONYFMPJZYHM-NTUHNPAUSA-N	355.854	4.700	50	20	FJGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1cc(-c2ccncc2)nc2ccccc12	814695900	AAVAPLNAKUAHJX-QGZVFWFLSA-N	370.456	4.593	50	20	FJGD	
Cc1sccc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	834417507	RFTDMCJJVNHODC-VGOFMYFVSA-N	352.381	4.827	50	20	FJGD	
C[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1CN	841178145	APWQZWBDNNAONF-MFKMUULPSA-N	373.391	4.935	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc(O)c3c(C)c(C)sc3n2)c(C)c1	849242373	DXTUALRROMSDCW-OQLLNIDSSA-N	365.458	4.785	50	20	FJGD	
O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F	916292311	WQWMSSZWTVNFPW-UHFFFAOYSA-N	371.415	4.593	50	20	FJGD	
CCOc1ccccc1C=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	917029372	FHKMATVTCJDXLI-UHFFFAOYSA-N	368.433	4.717	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)c1cccc(-c2ccccc2)c1	1776044899	LCONCFHXCDNWFM-UHFFFAOYSA-N	373.412	4.598	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	16441572	GCMFDXKBDSIUFK-SFQUDFHCSA-N	366.424	4.760	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)o1	16969022	HLZPIFZDWJZAON-VXYVMLOTSA-N	355.463	4.703	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)c1ccsc1	55040576	BZQIAVZOWOXEIO-GDNBJRDFSA-N	361.451	4.914	50	20	FJGD	
Cn1c(/C(C#N)=C/c2cc(F)ccc2Br)nc2ccccc21	90065315	JKHUNWPOJZMZNP-XYOKQWHBSA-N	356.198	4.539	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnn(C(C)(C)C)c2)cc1	98054930	UBKLHFVEXJEGDF-JQFNYASXSA-N	350.466	4.697	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(F)c2)c(C)c1	178808574	CTSKUTJXPVIFHE-ZSOIEALJSA-N	360.335	4.590	50	20	FJGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)s1	255145045	FGURLMAKXNEYAK-WDZFZDKYSA-N	353.422	4.851	50	20	FJGD	
O=C(CCCc1ccc(Cl)cc1)NNc1cccc(C(F)(F)F)c1	727758677	AJYKALSDLZVNPX-UHFFFAOYSA-N	356.775	4.825	50	20	FJGD	
CCOc1ccc(OC)cc1NC(=O)CCCC[C@@H]1CCSS1	729407827	UBMOSUGYWXPKJZ-CQSZACIVSA-N	355.525	4.747	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)OC1CCCCC1	731494997	JHBMGARAJSQOBW-WQLSENKSSA-N	355.768	4.724	50	20	FJGD	
CCCc1sc(C(=O)NNc2ccc(OC(F)F)cc2)cc1CC	748644811	UYULJQSQRMWNDY-UHFFFAOYSA-N	354.422	4.621	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc2cnccc12	748769285	CKTUCVVMURQWGG-LBPRGKRZSA-N	357.866	4.512	50	20	FJGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	757605790	VGMPHYXHCCQZEE-LSDHHAIUSA-N	371.506	4.739	50	20	FJGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)s1	758416142	DEGYTOSOLTZCGC-YRNVUSSQSA-N	365.380	4.831	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(OCCBr)c(Cl)c1	763114560	PSSYZMKWHICCMN-JYRVWZFOSA-N	370.674	4.636	50	20	FJGD	
O=C(NN=Cc1ccc(Sc2ccccn2)o1)c1cccc2ccccc12	766454075	HMSQPYSVBYCKLG-UHFFFAOYSA-N	373.437	4.743	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1OC	774559998	USCIKBCNWQTANY-BOPFTXTBSA-N	352.390	4.765	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]1c1cccc2ccccc12	775265136	VDPZTTGZBKPOJP-DLBZAZTESA-N	371.362	4.500	50	20	FJGD	
N#CC1=CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1	780688855	BYOYBJBNKJPBDB-UHFFFAOYSA-N	356.784	4.567	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)c1ccccc1OC(F)F	789148849	STJNUXPCWYHJSW-FLIBITNWSA-N	372.352	4.794	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2cccc(Cl)c2)c(OC(C)C)c1	790255677	RTTUIZWWTYKEIS-UHFFFAOYSA-N	362.857	4.673	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)s1	795020313	CFMLHXSBELMUJH-UHFFFAOYSA-N	354.275	4.543	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(-c3csc(C)n3)cc2)c(C)c1	799706033	UFZYTFYNABWVCR-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc(Cc2ccccc2)nc1C	799755387	DEAIBODDWVJXHH-UHFFFAOYSA-N	365.502	4.670	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cnc(Cc2ccc(F)cc2)s1	799756732	IBIAHQLKXGJKIS-UHFFFAOYSA-N	369.465	4.501	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CCC[C@@H]2CCCF)cc1OC	800807752	FLGFOHHWDQUPHP-OAHLLOKOSA-N	364.461	4.510	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1	812248858	SQTMFSRPALCZMN-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)ccc1NC(=O)CC(C)C	837053870	IMWQYIUFMJQUGZ-UHFFFAOYSA-N	367.493	4.860	50	20	FJGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(C2CC2)cs1	843265449	NCKFFGGJULINIS-FJJYYWMZSA-N	352.459	4.642	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1C	915990407	PKUGFYBJPRIDCI-XNTDXEJSSA-N	365.433	4.788	50	20	FJGD	
CC(=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CCCCC1	916284509	IGPOBOJWEOBBSL-UHFFFAOYSA-N	372.472	4.983	50	20	FJGD	
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNc1cccc(Cl)c1	917005987	LDCCTNHSLVOSCN-VIFPVBQESA-N	359.640	4.557	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(Cl)c4c(c3)OCO4)c[nH]c2c1	920067895	FDBXWIYKSDMDQI-WLRTZDKTSA-N	364.788	4.648	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2c(c1)oc1ccccc12	1322966304	XEQMVWAXDPETLJ-UHFFFAOYSA-N	368.339	4.944	50	20	FJGD	
Cc1cccc(OCCCCC(=O)NNc2cccc(C(F)(F)F)c2)c1	110785311	VUJYBBRWTCWZMS-UHFFFAOYSA-N	366.383	4.706	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3cccs3)n2)cc1	209744794	SCXPJRZHROFVRN-UKTHLTGXSA-N	351.456	4.726	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(SCC(F)(F)F)cc1	254971307	YDEMCOXXOOSGOY-BHQIHCQQSA-N	374.815	4.672	50	20	FJGD	
Cc1cc(C)c(NNC(=O)CCCc2ncc(-c3ccccc3)o2)c(C)c1	743763164	ZJQKOQAFDZFODR-UHFFFAOYSA-N	363.461	4.733	50	20	FJGD	
C=CCOCCCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	744358323	KZFSTSWBAYYUAN-AWEZNQCLSA-N	367.820	4.827	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Br)c(Br)c1	757525254	FFAUSPSGLMCUER-POHAHGRESA-N	371.072	4.734	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1c(Cl)cccc1Cl	759074025	ROMDNYLBSZGURH-DAXSKMNVSA-N	358.637	4.649	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)Nc1ccc(Cl)cc1	761375301	HIZMFBLZMVUZFA-YRNVUSSQSA-N	360.175	4.550	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	768269297	QQZPGQFPIAJLSK-WDZFZDKYSA-N	372.209	4.963	50	20	FJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)c1ccc(F)c(C(F)(F)F)c1	773161429	SAPVOOIJBHJBFX-WDZFZDKYSA-N	354.690	4.683	50	20	FJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773162531	WBVXQVRKFLIZPY-OVCLIPMQSA-N	373.305	4.953	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl	788544831	JYQCWRFBRCSYPO-UHFFFAOYSA-N	373.812	4.812	50	20	FJGD	
CCCCn1nc(C)c(/C=C(\C#N)c2cnc3ccccc3n2)c1Cl	790231885	ZOXGLLAIOWYPGQ-GXDHUFHOSA-N	351.841	4.652	50	20	FJGD	
CCCN(N=C(C)c1nc2cc(Cl)ccc2n1C)C(=O)OC(C)(C)C	794998654	SAOXFHNHAPIEEH-UHFFFAOYSA-N	364.877	4.598	50	20	FJGD	
O=C(CCCC1CCOCC1)NNc1c(Cl)cc(Cl)cc1Cl	798345167	BIPTVJPIXUHNDA-UHFFFAOYSA-N	365.688	4.687	50	20	FJGD	
ClCCCOc1ccc(CNC2(c3nccs3)CCCC2)cc1	811479634	KOPIMMYXLSFITC-UHFFFAOYSA-N	350.915	4.710	50	20	FJGD	
CC(=O)c1ccc(OCCCC(=O)NNc2c(C)cccc2C(C)C)cc1	812765748	TWJLJUVTVKACFD-UHFFFAOYSA-N	368.477	4.623	50	20	FJGD	
Cc1cc(Cl)c(C(=O)NNc2c(C)cccc2C(C)C)cc1[N+](=O)[O-]	832322471	KUCJWTRQUXZVKH-UHFFFAOYSA-N	361.829	4.745	50	20	FJGD	
C[C@@H]1c2ccc(Cl)n2CCN1C(=O)CCCC[C@H]1CCSS1	848090837	KQRKYQPSOSHGSC-OLZOCXBDSA-N	358.960	4.759	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2c(F)cccc2F)c1C	914485397	TXIGIDKCXNZFSO-MPMPPSQCSA-N	371.431	4.578	50	20	FJGD	
CCC(C)(C)c1ccc(Oc2ccc(NC(=O)NNC(=O)OC)cc2)cc1	915304081	RVFKFDUHAXYJAV-UHFFFAOYSA-N	371.437	4.559	50	20	FJGD	
COc1cc(F)ccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	915345740	BFOURSJILYJBJY-UHFFFAOYSA-N	365.408	4.578	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2OC)c1C	917798444	AWZDKNIOEGQVOT-UYRXBGFRSA-N	365.477	4.768	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(Cl)c(F)c1	921257428	ZXUZVBGNWQBXOW-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
COCCn1ccc(NCc2cccc(S(F)(F)(F)(F)F)c2)n1	921742410	DPPNUCQOYSGSCP-UHFFFAOYSA-N	357.348	4.799	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(C(C)C)nn(C)c3Cl)c[nH]c2c1	66408302	DVKNTJHYJHBYHG-JYRVWZFOSA-N	366.852	4.777	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)Nc1ccccc1F	67427867	URSFSFNPKWWIFS-XFFZJAGNSA-N	366.726	4.626	50	20	FJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl	72042023	VUROZCJRRVXIIC-YHYXMXQVSA-N	367.619	4.898	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1c(F)cc(F)cc1F	128509188	NALBHPAUOVGDEF-UHFFFAOYSA-N	369.557	4.821	50	20	FJGD	
CC[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183481085	JRQIGECZLARCFW-SECBINFHSA-N	360.348	4.539	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	211974897	VSGVLANZWLTVDB-RQIDXOOCSA-N	360.335	4.967	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	216747185	WSQQMFAKPJPKAC-VZUCSPMQSA-N	350.727	4.611	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(F)F)cc2)c(C)c1	255301374	GQPLCGKCWINFFU-LICLKQGHSA-N	370.399	4.801	50	20	FJGD	
CN(CC(C)(C)CO)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297268884	UFCWQUNISCGLFF-UHFFFAOYSA-N	362.364	4.826	50	20	FJGD	
CC[C@H](C)Oc1cc(C=NNC(=O)[C@H](CC)c2ccccc2)ccc1OC	731933195	VNUNINFDRLRCPF-QFBILLFUSA-N	368.477	4.516	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc([C@@H]2C[C@@H]2C)o1	732765124	JHJLENXQZMFMHK-BLLLJJGKSA-N	365.458	4.599	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1	751054346	WCXBQDACOXHFDS-LFIBNONCSA-N	373.412	4.650	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)c(F)c2)c1C	754680814	RWZMREFUHNOLDS-DHDCSXOGSA-N	374.362	4.821	50	20	FJGD	
CC(=O)CCCCOC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	762829296	BJXWGBHFFNFXNF-ZHZULCJRSA-N	370.493	4.820	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc3cc(OC)ccc3o2)c1C	763277533	NWEHZUAVWYZIMN-SFQUDFHCSA-N	360.413	4.836	50	20	FJGD	
O=C1CCCc2cc(OC(=O)CCCC[C@@H]3CCSS3)ccc2N1	764906200	WLKOMCHIIMMFIO-OAHLLOKOSA-N	365.520	4.581	50	20	FJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1c(F)cccc1Cl	770203877	WGCUGQPRXJMADP-LLVKDONJSA-N	360.738	4.658	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773144324	KFHIAKUHLSKGNC-ZROIWOOFSA-N	362.326	4.700	50	20	FJGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)NNc1cccc2cnccc12	773495360	RDFAIJBSPGBTJA-QGZVFWFLSA-N	370.456	4.597	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c(Cl)c1C	783588394	AHOYXDRHIHITBS-UHFFFAOYSA-N	372.774	4.655	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)ccc1[N+](=O)[O-]	788326070	BUUMXYSBTFDBNQ-ZSOIEALJSA-N	364.382	4.608	50	20	FJGD	
CC(C)CC=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	793227031	RJWTUIKOMMXFPX-UHFFFAOYSA-N	366.490	4.617	50	20	FJGD	
O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc(CCCl)cc1	917731903	PSMCILOWIRGPEQ-UHFFFAOYSA-N	371.889	4.521	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)NCc3ccco3)ccc21	6568558	HGGJZPAXTZQUAA-SFQUDFHCSA-N	369.424	4.631	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)s1)c1nnc2n1CCCCC2	27055268	UZRDXOOQTYLHAZ-WYMLVPIESA-N	364.449	4.936	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)C(C)(C)C)o2)cc1	32798970	BKUJOULHINUXEK-FOWTUZBSSA-N	351.402	4.645	50	20	FJGD	
CCOc1cnc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cn1	191946303	PLHQHBHJWKDJQF-UHFFFAOYSA-N	369.315	4.785	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)c1ccc(Cl)s1	748748527	NIBUAQBEGJAEMR-SECBINFHSA-N	373.703	4.719	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761175786	GJZZSMAZAGQQNU-BENRWUELSA-N	352.777	4.640	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2Cl)c(C)c1	761394973	XXEBJBZCQFXRCG-ZSOIEALJSA-N	353.784	4.513	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cn(C)nc3-c3cccs3)n2)cc1	769550430	FCCJTYGZZANYTN-XNTDXEJSSA-N	373.441	4.571	50	20	FJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)c1cc(F)cc(F)c1	772175269	IDJALEVSCNWJQQ-BCTAIJSYSA-N	354.175	4.579	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143282	DEWVMRBYIKUEIX-KMKOMSMNSA-N	370.283	4.604	50	20	FJGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)c1cc2c(s1)CCCCC2	783514567	OIUUAZPCBBHNGS-GFCCVEGCSA-N	358.429	4.855	50	20	FJGD	
COc1cc(NNC(=O)Nc2ncc(-c3ccccc3)s2)ccc1Cl	788539525	CDMRSOZZFGVFRY-UHFFFAOYSA-N	374.853	4.621	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3ncc(C(C)(C)C)s3)nc(O)c2c1C	790601443	LWKLQOXZAZJUKQ-WDZFZDKYSA-N	370.503	4.832	50	20	FJGD	
C=C(CBr)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	791489597	JBEWZNOABDVMPW-OAHLLOKOSA-N	373.294	4.541	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccncc1	794954083	NUYZFSPFZJFVGM-NBVRZTHBSA-N	370.456	4.847	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccoc1Cl	817014615	QKJWVISZDZZOJF-UHFFFAOYSA-N	372.652	4.728	50	20	FJGD	
C=CCn1c(SCCO[Si](C)(C)C(C)(C)C)nnc1-c1ccco1	821075040	RSSMHASYRWLMCK-UHFFFAOYSA-N	365.575	4.838	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(-c2ccncc2)cs1	849211099	CPNMYDMWSVWXMN-ZDUSSCGKSA-N	365.549	4.858	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cn(CC)nc1C1CC1	875099931	BVVCNPIEZXCFKJ-UHFFFAOYSA-N	368.506	4.731	50	20	FJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1	915906312	ZVAMKFSHMSNLEE-UHFFFAOYSA-N	369.827	4.651	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)c1nc(N)c2ccccc2n1	1324265350	KUOKBUMUPGCEFA-WZUFQYTHSA-N	374.753	4.948	50	20	FJGD	
Cc1cccc(-c2nnc(/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)o2)n1	1326552000	IAVWWSXIWBHMHB-ZDLGFXPLSA-N	361.449	4.579	50	20	FJGD	
CCCCC/C(C=NNC(=O)c1ccc(C(=O)O)cc1)=C/c1ccccc1	1776098605	QPRJOHYUUXIFTN-IKMRVOFFSA-N	364.445	4.764	50	20	FJGD	
CCN(N=Cc1ccc(-c2cccc(C(=O)O)c2)s1)C(=O)OC(C)(C)C	1776109975	IMJZHUPZFQYEPE-UHFFFAOYSA-N	374.462	4.704	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776751258	DGYLRBUJBUGFKA-GKXUUXLPSA-N	361.441	4.893	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Oc3cccnc3)cc2)cc1	181150292	YOOJGUTVVMSSSP-UHFFFAOYSA-N	361.445	4.928	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)ccc1O	211684098	HXRVZKWFLXYENI-BRYHAGSVSA-N	364.445	4.850	50	20	FJGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	255136946	KSERHLSFVMZYCX-ZROIWOOFSA-N	361.228	4.685	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C2CCCCC2)n1	588425010	MPCBNSCHIREYJN-PTNGSMBKSA-N	368.868	4.667	50	20	FJGD	
Cc1ccccc1-c1nc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cs1	727295877	BTPHKWNRPCEATC-UHFFFAOYSA-N	354.387	4.554	50	20	FJGD	
CCC(=NNC(=O)c1ccc(OC)c(Br)c1)C1CCCCC1	731934694	IOYJEOIDIUOBOR-UHFFFAOYSA-N	367.287	4.534	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3csc(COc4ccccc4)n3)[nH]c12	735619410	MQSIQCPGLNIBLE-GDNBJRDFSA-N	372.453	4.971	50	20	FJGD	
CC(C)Sc1ccc([C@H](C)NC(=O)NNc2c(F)cccc2F)cc1	735760118	MVVVMXKNOIUYEP-LBPRGKRZSA-N	365.449	4.853	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)Oc1ccccc1Cl	742140903	JUXOADUHRQILFK-UONOGXRCSA-N	373.971	4.938	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	750795647	JVZMLYXWRYMAAU-HRVJUDJTSA-N	374.419	4.620	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)C1CCCCC1	767715396	VGMUMFWAZCXIBO-QGOAFFKASA-N	367.449	4.641	50	20	FJGD	
Cc1ccc(C(=O)NN=Cc2c(Cl)cccc2Oc2ccccc2)o1	769584598	IDXCPMJAGOHSMF-UHFFFAOYSA-N	354.793	4.798	50	20	FJGD	
CC(C)(C)Sc1cc(C(=O)NNc2c(F)cccc2Cl)ccn1	770196504	GUQYLDQEHQYUHG-UHFFFAOYSA-N	353.850	4.522	50	20	FJGD	
O=C(CC1(CSc2ccccc2)CC1)NNc1cc(F)c(F)c(F)c1	771438519	ZHAQRGWWYBBQNQ-UHFFFAOYSA-N	366.408	4.510	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772177621	XLVSNAZPWHQAJV-BWADBZPLSA-N	371.383	4.941	50	20	FJGD	
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)c1cc(SC)ncn1	773171592	JQDBGZLGPFEORT-VCHYOVAHSA-N	359.454	4.938	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)c2ccc(Cl)cn2)c1C	781708289	NSMXTWLHGJJTHW-DISPHTKASA-N	371.868	4.775	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1ccsc1)c1ccccc1	787288576	DYVLHSBHIMVPNM-PDGQHHTCSA-N	360.438	4.594	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cnn(Cc4ccccc4)c3Cl)[nH]c12	789145153	ZBQJZTXVBXWYCV-YBEGLDIGSA-N	373.847	4.834	50	20	FJGD	
CC1=C(Br)CN(C(=O)CCCC[C@H]2CCSS2)CC1	797698283	MIRNVFRQTGKQGC-LBPRGKRZSA-N	364.374	4.602	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1OCC	812246312	IYCNHOZJQFGFJO-NTEUORMPSA-N	362.351	4.962	50	20	FJGD	
CC(=O)Nc1ccc(C)c(NC(=O)NNc2c(C)cccc2C(C)C)c1	812922419	DOYLQDQXWZHPNH-UHFFFAOYSA-N	354.454	4.534	50	20	FJGD	
OCC1([C@@H](NCc2ccc(OCCCCl)cc2)c2ccccc2)CCC1	816631361	OTQXLHCTEINWNR-NRFANRHFSA-N	373.924	4.688	50	20	FJGD	
Cc1noc(C)c1CCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345786	ZPNVKNSKARHQNC-UHFFFAOYSA-N	352.595	4.568	50	20	FJGD	
C[C@@H](c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1)C(F)(F)F	857473946	LUCSQBYGGMKMFV-JTQLQIEISA-N	374.309	4.711	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1	915295142	JQMGPEMLFXGWKS-LBPRGKRZSA-N	353.249	4.521	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)C(=O)C1CCCCC1	1116299372	WULADUXCQUARFB-JYRVWZFOSA-N	371.330	4.946	50	20	FJGD	
CC(=NNC(=O)c1ccccc1Cl)[C@@H]1C[C@H]1c1ccc(Cl)s1	1339453611	LMGZRHBRCGHPDU-NWDGAFQWSA-N	353.274	4.964	50	20	FJGD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1nc(CO[Si](C)(C)C(C)(C)C)cs1	1621075587	SOUPFYXTOIQOOR-DMRZNYOFSA-N	352.620	4.799	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)c1nc2ccccc2[nH]1	50834344	LYCJWMVDMQDXQL-LGMDPLHJSA-N	352.397	4.601	50	20	FJGD	
O=C(CCSc1ccnc2cc(Cl)ccc12)NNc1ccccc1	151236818	BCYFTSFEPJWZMX-UHFFFAOYSA-N	357.866	4.514	50	20	FJGD	
Cc1cc(C(=O)NNc2ccncc2Cl)sc1-c1ccc(F)cc1	154593696	NCYRHEIQXZEHCF-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	171148358	NALUCPHRRNJYFZ-FOWTUZBSSA-N	365.820	4.568	50	20	FJGD	
O=C1/C(=C\c2cnn(CCCl)c2)CCSc2ccc(Cl)cc21	176852209	XGDDZFOVBHXXFH-GHXNOFRVSA-N	353.274	4.537	50	20	FJGD	
Cc1ccccc1-n1ncc(C(=O)NNc2c(C)cccc2F)c1C(C)C	190353225	FLOLSFALMBFHPG-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)C(=O)c1cccc(F)c1	194529206	OZPDBVVUCXCBMG-NTEUORMPSA-N	352.365	4.878	50	20	FJGD	
Cc1[nH]c2ccccc2c1CCNC(=O)CCCC[C@@H]1CCSS1	726952435	XAVQXALCUMIAGX-OAHLLOKOSA-N	362.564	4.849	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2ccc(F)cc2)c1C	728500657	IYJBHIFVTMKCIB-AQTBWJFISA-N	367.468	4.613	50	20	FJGD	
C=C[C@@H](CC(=O)NNc1ccc(Br)c(C)c1)c1ccccc1	759659822	BJKANEHJLOQCKH-AWEZNQCLSA-N	359.267	4.561	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)CCO2)C(=O)c1ccc(F)c(C(F)(F)F)c1	773148079	GWSLEMXAUBAWKA-ZSOIEALJSA-N	361.294	4.569	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)csc1Br	773736670	QZXGPCDCINRNDG-UHFFFAOYSA-N	367.312	4.873	50	20	FJGD	
O=C(NNc1ccccc1OC(F)(F)F)c1cc2cccc(Cl)c2o1	779207519	YVXRXQNXIHTIMU-UHFFFAOYSA-N	370.714	4.742	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H]2CCCCC2=O)c(C)n1C1CCCCC1	786432754	YJAGGLKMKDUZNG-DOIQENQNSA-N	368.477	4.572	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1)c1ccccc1	787178455	MCHBNCCBMYTUEU-ITICKHJUSA-N	373.481	4.985	50	20	FJGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	799109526	HBVHGIPYZLVDMI-SFHVURJKSA-N	357.457	4.987	50	20	FJGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1nc(C(F)(F)F)cs1	808733138	OMUIHCDNXNLTAS-UHFFFAOYSA-N	354.514	4.616	50	20	FJGD	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNc1cccc(Cl)n1	817010824	SFPIBUOCPODLBB-PKNBQFBNSA-N	373.840	4.759	50	20	FJGD	
CN(CC1=CCSC1)/C(=C\C#N)c1ccc(Br)c(Cl)c1	852747058	WJRNMKXHGVQJTI-TVPGTPATSA-N	369.715	4.572	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc12	915982678	VXJBPMYVRPYMDQ-BAACNHRGSA-N	356.425	4.633	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)c1ccccc1F	1318363878	ZEWHXIOFOMICNE-PTNGSMBKSA-N	361.328	4.574	50	20	FJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	59270109	RGVSNXAXYMVFLQ-RIYZIHGNSA-N	350.805	4.928	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cn(C)nc3-c3cccs3)c[nH]c2c1	93881509	HSCAKNJJPJFCKY-NTEUORMPSA-N	372.453	4.728	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](c2c(F)cccc2F)C1	184947499	JDJPKITXZWOOOV-UONOGXRCSA-N	371.518	4.995	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1coc(C2CCC2)n1	193945256	PHGKOLXLFVXSIM-UHFFFAOYSA-N	355.463	4.892	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC	211442240	KOQSGCIUIIFPFH-AQTBWJFISA-N	364.445	4.728	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2OC)c1C	220075699	RBKNZVSTHDJDHN-YBEGLDIGSA-N	371.868	4.723	50	20	FJGD	
CC(C)Oc1ccccc1C=NNC(=O)c1c(Cl)cccc1Cl	727781217	HMGQOBSIHWAVBL-UHFFFAOYSA-N	351.233	4.545	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	727800118	MNPGDQYJOYONFE-STQMWFEESA-N	355.652	4.894	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCCCC(C)(C)C)c1C	729389133	WVHLKCWFRGHFJC-VJOZSWGJSA-N	373.541	4.552	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)s2)cc1	734303736	YDUKMCSFLPXIII-PUMYGXPMSA-N	373.481	4.903	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2occc2Br)c(C)c1	735304536	LPGTYUXLINCTTQ-JYRVWZFOSA-N	359.223	4.513	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3nc4c(C)ccnc4[nH]3)cs2)cc1	741473915	UUKVNFGJFCANLF-DHDCSXOGSA-N	357.442	4.762	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1	742110795	COVWBOXXNJDMEY-TVENEZHQSA-N	374.484	4.644	50	20	FJGD	
CC[C@@H](SC)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	746812555	ZEKRHOTXAJPRJE-BXKDBHETSA-N	357.850	4.986	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1csc(Cl)c1Cl)c1ccccc1	761390051	BETPKHWPUWQBPX-CEXMDJMXSA-N	351.258	4.839	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(Cl)cc3Br)nc12	769769898	DZOAEPNTECWPAI-WDZFZDKYSA-N	373.641	4.746	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(OC)c3ccccc23)ccc1[N+](=O)[O-]	774562400	UUKFGWJXZPOPOE-WJDWOHSUSA-N	360.369	4.829	50	20	FJGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)Nc1ccccc1Cl	777885331	VTWOIYUQZSZKSI-ACCUITESSA-N	371.223	4.551	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCCOc2c(F)cccc21	778059667	XCGMNOIKJKPZIQ-CJNGLKHVSA-N	369.527	4.870	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(C#N)c1)c1ccc(Cl)cc1Cl	787145043	OIYOUDUUVJVCLG-AAWHYMEISA-N	370.239	4.649	50	20	FJGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1ccc(-c2ccc(F)cc2)s1	788015706	NINOOBZAJVHHQL-UHFFFAOYSA-N	372.465	4.763	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1	789128764	BIHAAFIHXCMNEA-UKTHLTGXSA-N	359.410	4.983	50	20	FJGD	
COc1cc(NNC(=O)C2(c3cccs3)CCCCC2)ccc1Cl	790178847	CLMIUJHIEZHCND-UHFFFAOYSA-N	364.898	4.755	50	20	FJGD	
C=C(CBr)COC(=O)c1csc(-c2ccccc2Cl)n1	795492354	YDIIKMGOOLXSFN-UHFFFAOYSA-N	372.671	4.571	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)c1cccnc1F	808076957	NHOGRQDIYDGHTB-ZDUSSCGKSA-N	364.751	4.692	50	20	FJGD	
CC(C)(NC(=O)CCCC[C@H]1CCSS1)c1ccccc1[N+](=O)[O-]	817038163	KWFDIXDESUEROE-ZDUSSCGKSA-N	368.524	4.660	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1	836788199	PLNQOMXLQAMKQE-ZDUSSCGKSA-N	350.384	4.980	50	20	FJGD	
C[C@H](Cc1cnccn1)NCc1cccc(S(F)(F)(F)(F)F)c1	840893766	QJOYEQBODDGYRZ-LLVKDONJSA-N	353.360	4.855	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-n3cccn3)cc2)cc1	884003885	RUYWLPCJLDIFIL-AWZALFRUSA-N	370.456	4.931	50	20	FJGD	
Cn1c(/C(C#N)=C\c2cc(Cl)ccc2OC(F)F)nc2ccccc21	915983883	XXBXGSAHJBUMTN-WQLSENKSSA-N	359.763	4.892	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1csc(-c2ccc(Cl)s2)n1	920032762	JHBSFVJYEHIKBW-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
COc1cc(OC)cc(Oc2ccc(/C=C(\C#N)C(=O)C(C)C)cc2)c1	920863989	GRWHAXLGCFAMRC-CXUHLZMHSA-N	351.402	4.628	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccn1Cc1ccccc1C#N	1320665587	DXBZXAVTGBZFRW-MOSHPQCFSA-N	351.409	4.506	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC2(C(=O)O)CCCCC2)c1	1776270412	XOJNHXQUZPLYRP-UHFFFAOYSA-N	363.574	4.948	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c(O)c3)n2)cc1	35168683	HJVAYXHPSLJMSC-DHDCSXOGSA-N	364.426	4.597	50	20	FJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c2cc(F)ccc12	40139911	SDXJBPGXAONKCO-WZUFQYTHSA-N	369.739	4.658	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)c1nc(-c2ccncc2)cs1	57789336	SZVVXMQJKJYVPA-ZSOIEALJSA-N	355.369	4.871	50	20	FJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	159623969	IYTZTXBLMQPVGU-UHFFFAOYSA-N	370.396	4.843	50	20	FJGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3c[nH]c4cc(Cl)ccc34)n2c1	178767692	JLABJJUHJWRGLW-AWNIVKPZSA-N	360.804	4.567	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(Br)c1)c1ccccn1	180054902	SGFMUYYCEUPPBJ-YRNVUSSQSA-N	351.150	4.510	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cc2ccccc2nc1Cl)c1ccccc1	731931512	JJMJZYFFTYLNCA-QGZVFWFLSA-N	351.837	4.532	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1	736116389	REKBDIHMAVUEDZ-GZTJUZNOSA-N	374.444	4.562	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1	741468322	FCALNUDXTJJXPS-WZMONFQBSA-N	361.367	4.803	50	20	FJGD	
Cc1nc(-c2c[nH]c(C(=O)NNc3cc(Cl)ccc3Cl)c2)cs1	752812788	MFRYLTLCDNVUMB-UHFFFAOYSA-N	367.261	4.510	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CCC(C(F)(F)F)CC1	766008536	TWHJDSGJPDWTFL-UHFFFAOYSA-N	364.820	4.657	50	20	FJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2c(F)cccc2F)C1	767085040	YGQLNHSOPVTQMT-GJZGRUSLSA-N	354.441	4.564	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)cc(Br)c2F)c1	768094063	YXCFEZXZYODHIE-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CC(C)Oc1ccccc1NC(=O)NNc1ccc(OC(F)(F)F)cc1	769960108	ZOZWUNZZVCYIQU-UHFFFAOYSA-N	369.343	4.521	50	20	FJGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143287	DEWVMRBYIKUEIX-XCVCLJGOSA-N	370.283	4.604	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(Br)c1)C(=O)c1ccsc1	775632479	YNQAFNHDXVKRNR-WZUFQYTHSA-N	352.640	4.954	50	20	FJGD	
CSCc1c(C(=O)NNc2ccc3ccccc3n2)oc2ccccc12	777459460	BLDUXVDXTQCLDM-UHFFFAOYSA-N	363.442	4.601	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1oc2c(C)ccc(C)c2c1C	777477307	IPWQQCNFAOHMLV-UHFFFAOYSA-N	359.429	4.972	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2scnc2C2CC2)cc1	782306625	TYXFIDWCDVVCLN-LFIBNONCSA-N	351.475	4.909	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(F)c(Cl)c1	783686990	CNSIIIKBMDFDPN-VZUCSPMQSA-N	365.147	4.831	50	20	FJGD	
CC(=NNC(=O)CC(F)(F)F)c1cc(F)ccc1SC(C)(C)C	790288136	ZCQRCNUYKDVTOF-UHFFFAOYSA-N	350.381	4.509	50	20	FJGD	
CCCN(N=C(C)c1[nH]c(-c2ccccc2)nc1C)C(=O)OC(C)(C)C	794996194	ATCYXTJFWJVIKZ-UHFFFAOYSA-N	356.470	4.756	50	20	FJGD	
CC1(CCNS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	795200762	SDQBQGBWMIPAIA-UHFFFAOYSA-N	365.389	4.813	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2c(F)ccc(Br)c2F)sc1C	799893437	ZLGTUEIWHLPFKD-WEVVVXLNSA-N	355.207	4.865	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sccc1-c1ccc(F)cc1	805382345	DAVJQVWJRJZWEQ-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1OC(F)F	812248218	GYRZRESEXGNBHR-IZZDOVSWSA-N	370.277	4.775	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(Br)c3ccccc3c2)c1	815856534	PRFSTZUSLBCIOX-UHFFFAOYSA-N	373.225	4.807	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnn(C2CCC2)c1	901849789	IMJBMBHWWSKSBL-UHFFFAOYSA-N	354.479	4.558	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(/C#N)C(=O)c1ccccc1	915981640	UTYBHTLUXGGVLK-YBEGLDIGSA-N	363.367	4.557	50	20	FJGD	
C=CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(CCC)c2C)c1	919873282	NCLSWEFPLKWGPD-CPNJWEJPSA-N	363.461	4.625	50	20	FJGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)N(C)c3ccccc3)c(Cl)nc2c1	1116052773	XWTCVUSJZYZMIJ-ATVHPVEESA-N	361.832	4.767	50	20	FJGD	
O=C(CCc1nc2ccccc2s1)NNc1cc(Cl)ccc1Cl	1253418800	IUJLRKABXQUADC-UHFFFAOYSA-N	366.273	4.679	50	20	FJGD	
CCOc1ccccc1OCc1nnc([C@@H](Br)C(C)(C)C)o1	1329094456	MXXHECWKYYNBSB-CQSZACIVSA-N	369.259	4.529	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNCCCCCC(=O)O)c1	1776269161	XNINBAMQSSPUTR-UHFFFAOYSA-N	351.563	4.805	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC	7157025	KOQSGCIUIIFPFH-QGOAFFKASA-N	364.445	4.728	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(NC(=O)C2CC2)cc1	25442350	MXFRBSNHIHKUFB-MRXNPFEDSA-N	364.536	4.688	50	20	FJGD	
CCSc1nc(Cl)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1	98178088	RULJKRRCJRXLGJ-GFCCVEGCSA-N	353.278	4.572	50	20	FJGD	
N#C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc(Cl)cc1	113176577	KDRBVHYCMUPORN-CABCVRRESA-N	354.928	4.735	50	20	FJGD	
Cc1sc(C(=O)NNc2cccnc2Cl)cc1-c1ccc(F)cc1	152000863	BPWYZFIUZWUHAA-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
C/C=C/C[C@@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184637524	CDOCNXSDNJRFLH-VUDBWIFFSA-N	360.348	4.793	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccc(OCCCC#N)c1)c1ccccc1	588558519	BBOVWJLVIQLOCY-MNJKBJKMSA-N	373.456	4.544	50	20	FJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	750899151	FTZBGLLWYQMACC-UKTHLTGXSA-N	362.376	4.995	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H](CCO)C1CC1	752981561	ZZJKZVCZOKWBIM-GFCCVEGCSA-N	360.348	4.627	50	20	FJGD	
O=C(CCc1cc(Cl)cs1)NNc1cc(C(F)(F)F)ccc1F	754152485	KTZGCWBBOBQGRT-UHFFFAOYSA-N	366.767	4.635	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1CCC(F)(F)F	759661166	RSKULOQMDOVUAS-UHFFFAOYSA-N	374.309	4.540	50	20	FJGD	
C=CCn1c(SC/C=C/C#N)nc2scc(-c3cccs3)c2c1=O	763301283	OHKWUZBVMFUXCP-ONEGZZNKSA-N	371.512	4.544	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2cc(F)c(F)cc2F)C1	767093178	IWBNTSMTNKJYHA-ZIAGYGMSSA-N	372.431	4.703	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1ccccc1COCc1ccccc1	769958557	XSLOEKDLEVJCSP-UHFFFAOYSA-N	365.408	4.691	50	20	FJGD	
Cc1cnc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)s1	771895409	OFILIDFJKDQXIF-NVMNQCDNSA-N	371.506	4.566	50	20	FJGD	
COc1ccc2nc(NNC(=O)c3ccc4sccc4c3)c(C)cc2c1	778476936	NSVQSKGAIONBPO-UHFFFAOYSA-N	363.442	4.523	50	20	FJGD	
Cc1ncsc1/C=C(/C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	787177081	DXLGQGGNVRERLN-QQCYMQAYSA-N	366.273	4.543	50	20	FJGD	
CCCOc1ccc(C(=O)NNc2ccc(F)cc2)c(OC2CCCC2)c1	790255066	HBMSACAIXOUVGF-UHFFFAOYSA-N	372.440	4.693	50	20	FJGD	
Cc1nc2c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cccc2o1	791442085	AYKZQSKUXBPBRO-UHFFFAOYSA-N	370.623	4.853	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)COc1ccc2ccccc2c1	794779776	JKZYULSZZDDSCV-UHFFFAOYSA-N	372.424	4.678	50	20	FJGD	
COC[C@@H](NCc1ccc(OCCCCl)cc1)c1ccc(Cl)cc1	811497375	YJUBPVNNKZKHQA-LJQANCHMSA-N	368.304	4.825	50	20	FJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NCC(Cl)Cl)oc2c1	816604461	KQKSCCAUYWQFRH-UHFFFAOYSA-N	364.228	4.642	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCc2nn[nH]c21	832213523	SXYZBYWACPXRGX-JTQLQIEISA-N	368.331	4.521	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1CN	841189785	JHCHNGHFQHLMRY-QWRGUYRKSA-N	373.391	4.793	50	20	FJGD	
CC(=O)N1CC[C@@H](CN(C)Cc2cccc(S(F)(F)(F)(F)F)c2)C1	892239992	BWINGUZSRRWSIF-AWEZNQCLSA-N	372.403	4.644	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(F)cccc2F)c1C	912706512	PSEASICBGSSGPX-WJDWOHSUSA-N	357.404	4.729	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1	915893506	LLSPBWDINQXUDV-SFHVURJKSA-N	365.481	4.512	50	20	FJGD	
C[C@@H](C=NNC(=O)COc1ccccc1-c1ccccc1)c1ccccc1	916294351	AEZAABAJRRGQOX-SFHVURJKSA-N	358.441	4.638	50	20	FJGD	
C/C(C=NNC(=O)c1ccc(COc2ccccc2)o1)=C/c1ccccc1	916359472	CSBFSDMCVNBFEC-WQULCADNSA-N	360.413	4.678	50	20	FJGD	
O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl	916360349	QFAYNLWAFWNNMB-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
O=C(NCC1CCC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918213056	FQRWSCBLRLWFHY-LBPRGKRZSA-N	352.809	4.828	50	20	FJGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccc(C2CCCCC2)cc1	1776094974	XHSGSKVEQGYWHV-UHFFFAOYSA-N	364.445	4.587	50	20	FJGD	
N#C/C(=C/c1cccc(-c2ccccc2)c1)C(=O)Nc1ccc(C(=O)O)cc1	1776129058	GWNDSVQXMCZMBI-ZHZULCJRSA-N	368.392	4.597	50	20	FJGD	
N#CC(C#N)=CNc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1	15241330	ACEFZZZSBLKRAU-UHFFFAOYSA-N	373.294	4.700	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1SC	63866921	XKNHRSRLBQTYFS-YVLHZVERSA-N	366.486	4.888	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC	66407920	RXCXJYDJPAEKKE-MFOYZWKCSA-N	373.437	4.763	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1occc1-c1ccccc1	134275169	IBRFPJRHGGSHLH-UHFFFAOYSA-N	362.307	4.602	50	20	FJGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)CCCC[C@@H]1CCSS1	152809886	RVVZAUPUMFWHJA-RHSMWYFYSA-N	353.553	4.544	50	20	FJGD	
O=C(CCCNC(=O)C1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	183984675	XLWQHBBOULHFSL-UHFFFAOYSA-N	372.359	4.589	50	20	FJGD	
CC1(C)CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	193385800	VUYUMBDIWPCNJO-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC(F)F	211442601	MPPBUCYVRZUTQU-GDNBJRDFSA-N	372.371	4.541	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@@H]2C)o1	211976090	GQKXZLWAEGQEGU-FDCLKBLSSA-N	370.836	4.919	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccccc3)c3ccccc3n2)cc1	255935596	QWDDCKMXAOPLOI-UHFFFAOYSA-N	353.425	4.967	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	588393657	PPNIXTFZQARROH-PTNGSMBKSA-N	372.371	4.541	50	20	FJGD	
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)NNc1ccccc1	734266358	UHSWULPQKFDQGL-FQEVSTJZSA-N	370.456	4.626	50	20	FJGD	
Cc1c([C@@H](C)NC(=O)NNc2cc(F)c(F)cc2F)oc2ccccc12	734659417	BJMKYWRZAMUWDU-SNVBAGLBSA-N	363.339	4.546	50	20	FJGD	
C=CC[C@@H](C)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	735170612	NPEQJHLQDHHRCO-SKDRFNHKSA-N	352.809	4.992	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	743455667	QIFSOZSZUGRRGW-VXGBXAGGSA-N	357.187	4.518	50	20	FJGD	
Cc1nnc(-c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)o1	743478207	SMJOHWLDLVQTQF-OAHLLOKOSA-N	363.508	4.698	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cncc(-c2ccc(Cl)cc2)c1	748319109	YAJCPHUBALOLNJ-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(/C#N)C(=O)Nc1ccccc1C	759116344	OQZPWUPSIJFYPU-GDNBJRDFSA-N	355.235	4.612	50	20	FJGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)c1nc2ccccc2n1C(F)F	760265581	WONSJDSCNXAQPH-PTNGSMBKSA-N	361.355	4.681	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2nc3ccc(F)cc3s2)c(C)c1	761390139	BKFLVVFSVPYTNC-MDWZMJQESA-N	351.406	4.598	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C1CCC(C(F)(F)F)CC1	766329056	SRYKSUKNMKGYDV-UHFFFAOYSA-N	354.294	4.517	50	20	FJGD	
CC(C)(C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc2ccccc2c1	769155932	PNGAZLCTLQBJIN-UHFFFAOYSA-N	358.363	4.678	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1	771519364	CXQLIZFFYQNOFW-JYRVWZFOSA-N	357.251	4.910	50	20	FJGD	
O=C(NNc1ccnc(Br)c1)c1ccc(C2CCCCC2)cc1	771532702	XGNJFGATWUDUIK-UHFFFAOYSA-N	374.282	4.649	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)c1cc(F)cc(F)c1	772176601	NZFJMRXFAXCRIJ-XGICHPGQSA-N	353.246	4.653	50	20	FJGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1	776192537	KXILBUVAWGYGAI-PTNGSMBKSA-N	357.356	4.865	50	20	FJGD	
C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	780912240	BAWHAJJFLTYDNM-UWVGGRQHSA-N	365.389	4.811	50	20	FJGD	
COc1ccc(SCCCC(=O)NNc2c(F)cccc2Cl)cc1	781030483	KILYNPXTQLSBEQ-UHFFFAOYSA-N	368.861	4.503	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1	797054759	LKRFQJIDXXKWPB-IZZDOVSWSA-N	365.191	4.687	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c(-c2ccnn2C)c1	801648689	YZPTYVJAJRXPRQ-LDADJPATSA-N	367.408	4.932	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)ccc1OC(C)C	810219085	ZPRGCSAIISXJBY-SXGWCWSVSA-N	355.821	4.926	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)ccc1Oc1cccnc1	812244574	FJBZJDQCHGISBF-MHWRWJLKSA-N	358.357	4.550	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NNc2ccc(C)cc2)cc1OC	912596653	SBPITNGREVXLNP-UHFFFAOYSA-N	356.466	4.720	50	20	FJGD	
Cc1ccc(OCc2nnc([C@@H](Br)C(C)(C)C)o2)cc1C	1331896580	ZUASSXMIAMBOPP-CQSZACIVSA-N	353.260	4.748	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1	40889219	XYFFQSBFYNMCMC-HKWRFOASSA-N	354.409	4.811	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCCc1c[nH]c2ccccc12	107606496	OPDKXQOFZYKTEJ-MRXNPFEDSA-N	362.564	4.931	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)oc2c(C)cccc12	134255017	FKOWBZMADFZYBV-UHFFFAOYSA-N	364.323	4.705	50	20	FJGD	
Cc1c(C(=O)NNc2ccc3ccccc3n2)sc2cccc(F)c12	181102521	QXRYPTSYILCUJX-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
CN1CC=C(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	273973446	HWCZRVQKICVGOQ-UHFFFAOYSA-N	371.375	4.727	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2cnc3ccccc3n2)cc(Cl)c1OC	588580941	WAORUHRPZSPFOG-ZSOIEALJSA-N	365.820	4.755	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)s1)c1ccccc1F	725715614	JRSXVDDHEGDYOY-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cnc(-c2ccc(C)cc2)s1)c1ccccc1	734299641	RTFNUXGQAAVRIH-IBGZPJMESA-N	363.486	4.762	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N[C@@H]1CCSC1	743084507	NTTUNPOKKRZYSP-KCJUWKMLSA-N	370.849	4.533	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1csc2ccccc12	748749938	BOULMZRPMLHZNY-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F	752142108	IBRWYRCKNFTEQL-SNVBAGLBSA-N	358.310	4.621	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2sc(-c3ccccc3C)nc2C)c1	775884587	MPRKMLCWDQXHHU-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(Cl)cc3c2OCC3)c(C)c1	782880776	NYMFRUVKEDRKCT-IUXPMGMMSA-N	366.848	4.746	50	20	FJGD	
COc1ccc2cc([C@H](C)OC(=O)/C(C#N)=C\c3ccc(O)cc3)ccc2c1	784020864	LMBLJUJULSFSRQ-PFHZTYADSA-N	373.408	4.765	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cnc(-c2ccco2)s1	788100267	WXHVWEYGNSWQKI-WQLSENKSSA-N	369.833	4.911	50	20	FJGD	
CSSCCNC(=O)c1ccc(COc2ccc3ccccc3c2)o1	791100902	YDUNPRKQXZCAOW-UHFFFAOYSA-N	373.499	4.753	50	20	FJGD	
Cc1ccc(-c2nc(C(=O)NNc3cc(Cl)cc(Cl)c3)cs2)o1	791728425	JVGWVDOXFFHICL-UHFFFAOYSA-N	368.245	4.775	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CSc2ccccc21	833093258	IEPJTIQSTWMWNU-UONOGXRCSA-N	353.578	4.706	50	20	FJGD	
COc1c(Br)cccc1/C=C(\C#N)c1nc(C2CC2)cs1	843263745	DUQYNDCEQGABNE-KPKJPENVSA-N	361.264	4.856	50	20	FJGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2ccccc2c1O	916270438	GNTMLFLQQCAOHA-UHFFFAOYSA-N	370.408	4.558	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cs2)cc1	918712646	CXYPHYIPFKBYFQ-POVFRKGSSA-N	365.502	4.720	50	20	FJGD	
CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(CCl)c1	1335741992	SFNXNDHWVAKZJI-UXHICEINSA-N	357.881	4.665	50	20	FJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1cccc2c1CCCC2	119950317	DYYZVHQBXLMEEA-UHFFFAOYSA-N	367.452	4.861	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	127364315	WUCDZESWWCGYIS-POHAHGRESA-N	363.248	4.560	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c[nH]nc1-c1c(F)cccc1F	128948945	BPSIUBPQLWZLOE-YRNVUSSQSA-N	355.369	4.515	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1[nH]c2ccc(Cl)cc2c1Cl	158537665	ROASJGMBJAKWQO-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
CCOc1ccc(CC(=O)Nc2c(CC)cc(SC#N)cc2CC)cc1	175632932	SERASYQHYMJNKO-UHFFFAOYSA-N	368.502	4.964	50	20	FJGD	
O=S(=O)(N[C@H]1C=CCCC1)c1cccc(S(F)(F)(F)(F)F)c1	187425137	VQRSHMWDIMERGT-JTQLQIEISA-N	363.373	4.731	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	209993349	PSIMZWZWWBSKKH-WDZFZDKYSA-N	352.262	4.529	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@](O)(C2CC2)C1	365864277	SNQHXVDNTNFZMM-AWEZNQCLSA-N	372.359	4.723	50	20	FJGD	
CN1C(=O)CCc2cc(/C=C(/C#N)C(=O)c3ccc(C(C)(C)C)cc3)ccc21	588506652	APGKHSDAUWJUNV-RGEXLXHISA-N	372.468	4.683	50	20	FJGD	
CCN(Cc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1)C(C)C	743765045	WDJWQWOQDMQISR-UHFFFAOYSA-N	353.510	4.599	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2cc(F)ccc2s1	747589984	WJJZPHVQIXYUCI-UHFFFAOYSA-N	354.328	4.816	50	20	FJGD	
CN1CCc2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)ccc21	751523602	OHQNCZJZLWAMNW-NTEUORMPSA-N	372.255	4.531	50	20	FJGD	
CC(C)n1ncc(C(=O)NNc2ccc(Cl)c(F)c2)c1-c1ccccc1	754249726	WRXQOLRLHKXPIH-UHFFFAOYSA-N	372.831	4.680	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CCCC(F)(F)F)c1C	756794453	RTOOGQGILCAKOG-VVBXCHJUSA-N	369.431	4.659	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1	761588002	AUBAILLPAJOEGW-UHFFFAOYSA-N	365.138	4.649	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc2oc(C3CC3)nc2c1	771104569	RXNQNQCXSDNXJE-UHFFFAOYSA-N	360.776	4.646	50	20	FJGD	
N#Cc1ccc(NNC(=O)Nc2cccc(COC3CCCCC3)c2)cc1	775569603	PWBOYDPYCBFGFC-UHFFFAOYSA-N	364.449	4.556	50	20	FJGD	
CC(C)=CCCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	790890092	USGSOSYNIXMNDP-UHFFFAOYSA-N	365.389	4.979	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)C(=O)[C@H]1CCCOC1	794884327	OSTARHZRMUHLBC-LFGHMXSPSA-N	357.862	4.971	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)C3CCOCC3)ccc21	794957292	DWGMZFXJZBDFLZ-QGOAFFKASA-N	358.441	4.717	50	20	FJGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)c1ncc(C(F)(F)F)cc1Cl	812496245	GHWVVYZRXCZINW-BAQGIRSFSA-N	361.154	4.513	50	20	FJGD	
CCc1c(C(=O)NNc2c(C)cccc2C(C)C)cnn1C(CC)CC	812763891	ZLZBFAQJZRKSAV-UHFFFAOYSA-N	356.514	4.995	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(C)nc1C1CCCCC1	812770697	XNQKGVRUIZRUQV-UHFFFAOYSA-N	354.498	4.657	50	20	FJGD	
CC[C@@H](C)n1ncc2c(C(=O)NNc3ccc(C(C)C)cc3)cc(C)nc21	837055628	JCISFRIMBDRDKT-OAHLLOKOSA-N	365.481	4.591	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2F)c1C	856529387	IHTJWFBNPASRGZ-PDGQHHTCSA-N	353.441	4.898	50	20	FJGD	
Cc1cc(OC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-]	915277259	KJHUFTDRVVSYEZ-JTQLQIEISA-N	370.188	4.583	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccc(Oc2ccc(Cl)cn2)cc1	1116347557	PHKNBLBBENIPRW-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COc1ccc(C[C@@H](C)N(C)C(=O)CCCC[C@H]2CCSS2)cc1	1251420871	UHPNNTVPBIWIDE-QAPCUYQASA-N	367.580	4.799	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)c(SC)cc1OC	1329340491	VXTSVTDRAFISCE-DHDCSXOGSA-N	353.443	4.524	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c(C)n1C1CCCCC1	1644934155	JOPBGJLJKBNUQI-YSYVOAOKSA-N	365.521	4.678	50	20	FJGD	
COc1cccc2sc(NC(=O)CCCC[C@H]3CCSS3)nc12	25403163	HDEJZINXKDPAKC-NSHDSACASA-N	368.549	4.958	50	20	FJGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)CCCC[C@H]2CCSS2)c1	45076072	VOWPYOHOHCNMMQ-GUYCJALGSA-N	366.552	4.536	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccc(F)cc1	176002459	KBIVXRQVXYXUQA-UHFFFAOYSA-N	366.392	4.774	50	20	FJGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1nc(-c2ccncc2)cs1	194926399	NJFSPONIBSEBHE-NTUHNPAUSA-N	363.833	4.570	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC(F)F)cc2)c1C	212485196	HYTGPYTYNRNQMI-WJDWOHSUSA-N	373.403	4.662	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1	255318947	KZFZQNBJBXIIFI-OVCLIPMQSA-N	369.808	4.719	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1F	588619052	HJKYHEKAFJEUEV-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	731835420	CLKRTDPANYCCBL-KAMYIIQDSA-N	367.330	4.799	50	20	FJGD	
C[C@@]12CC3CC(C(=O)NNc4cccc(C(F)(F)F)n4)(C1)C[C@](C)(C3)C2	740137906	MKKHXICQRCUHCP-FGKMVVGBSA-N	367.415	4.540	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC1CCCC1)C(=O)NC1CCCC1	742431542	JWPNBSQHRAPUMM-PTNGSMBKSA-N	358.869	4.627	50	20	FJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)Nc1nc2ccccc2nc1Cl	746523289	UAZRKRJPGHQYKY-XFXZXTDPSA-N	374.787	4.575	50	20	FJGD	
C/C(=C/C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(C(F)(F)F)cc1	746703170	IDKYQYQHZODULP-TWGQIWQCSA-N	374.284	4.669	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1cc2ccc(F)cc2s1	748019905	QDTMFFRLTAFKGX-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(F)c(Cl)c2Cl)cc1	761474942	BLALONCSBRETPK-MDWZMJQESA-N	370.232	4.779	50	20	FJGD	
CC(C)(C(=O)NNc1ncccc1C(F)(F)F)c1ccc2ccccc2c1	769123766	RXBOXFKXKNBWFF-UHFFFAOYSA-N	373.378	4.675	50	20	FJGD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)C1CCCC1	781554881	AKCWXKGJBQSRLQ-LFIBNONCSA-N	353.853	4.809	50	20	FJGD	
CSCc1cccc(CNC(=O)CCCC[C@H]2CCSS2)c1	782718319	VZNVWPGQTOGVDG-INIZCTEOSA-N	355.594	4.880	50	20	FJGD	
N#C/C(=C/c1cncc(Br)c1)C(=O)c1cc2ccccc2s1	788326645	GDAKMKHAKKTXOK-ACAGNQJTSA-N	369.243	4.849	50	20	FJGD	
CC1=C(Br)CN(C(=O)CCCC[C@@H]2CCSS2)CC1	797698282	MIRNVFRQTGKQGC-GFCCVEGCSA-N	364.374	4.602	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(-c2ccnn2C)c1	801648624	XGAAWJLWHBDSIM-GZTJUZNOSA-N	361.832	4.839	50	20	FJGD	
COCCOCc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	809145587	AVVKVCUWBOYRCP-MHWRWJLKSA-N	368.433	4.663	50	20	FJGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccccc1F	810242699	AAHCXJWIDKRBLB-KAMYIIQDSA-N	365.795	4.763	50	20	FJGD	
CC[C@@H](CS(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)OC	817356459	LUHXUFUWLIYFFC-JTQLQIEISA-N	369.377	4.511	50	20	FJGD	
CC[C@H](NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C1CC1	849463736	KZOLQGGIJSUWIR-LBPRGKRZSA-N	365.389	4.811	50	20	FJGD	
C[C@@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@@]1=O	894037168	YIZYVNYOQMZFSU-FIKIJFGZSA-N	363.417	4.687	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@]2(C)CCC[C@@H]2C(=O)O)c1	1776269224	JBAMVCGFYXGTDI-YLJYHZDGSA-N	363.574	4.804	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OC	6945198	BWWUEAXKCFOJQQ-AQTBWJFISA-N	372.424	4.793	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	173014719	WURHTECYSJACIU-XNTDXEJSSA-N	374.412	4.693	50	20	FJGD	
CC[C@@H](C(=O)NNc1cccc2cnccc12)c1cccc(C(F)(F)F)c1	178508330	GHEDCQDUFYALPT-MRXNPFEDSA-N	373.378	4.891	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1)c1ccccc1	188821804	RHKOTRHHAZIBBI-JMPLCFMRSA-N	353.491	4.615	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)C(=O)c2ccccc2F)c1Cl	734752912	LGOGZDYKFMRNGL-SDNWHVSQSA-N	365.795	4.669	50	20	FJGD	
CSc1ccc(C(C)=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1	741772409	VQIOOQZGOGUUDJ-UHFFFAOYSA-N	365.405	4.556	50	20	FJGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1ccc(Cl)c(F)c1	746698722	NODYEZQEQNHILH-LBPRGKRZSA-N	360.738	4.658	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)cc1	751388906	QFWPXNYUDHIZAX-UHFFFAOYSA-N	367.836	4.531	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c1	760148051	YTBBDCAYHVZDOV-INIZCTEOSA-N	365.452	4.919	50	20	FJGD	
Cc1ccc(Oc2ccc(NC(=O)NNc3c(C)cccc3F)cc2)nc1	771151304	CXJUSQJFWGWLGM-UHFFFAOYSA-N	366.396	4.778	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cn(C)nc3-c3ccccc3)n2)cc1	771520420	LDSKLDNEEROVEN-PDGQHHTCSA-N	367.412	4.510	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1C	772174932	DHXZQJFGWPXVMW-MDWZMJQESA-N	361.228	4.856	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(Cl)c2ncccc12	775473800	BAXZDGNXPOVMQB-UHFFFAOYSA-N	363.808	4.585	50	20	FJGD	
CC(C)OCc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	775562357	HVRLDDCTWOTRMC-UHFFFAOYSA-N	367.371	4.779	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1F	780528001	ROJHQVFGLCLOOY-ZSOIEALJSA-N	362.326	4.700	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccccc1C(F)(F)F)c1c[nH]c2ccccc12	780850432	GLIUNZWJNLZUDD-LBPRGKRZSA-N	361.367	4.824	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N(Cc1ccccc1)Cc1ccco1	781074052	UPHAKZASMMLOJP-INIZCTEOSA-N	364.283	4.618	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)ccc1-n1cncn1	788361206	WVKLNQIFINELQZ-MFOYZWKCSA-N	370.437	4.580	50	20	FJGD	
COc1cc(NNC(=O)Nc2c(C)cccc2SC)ccc1Cl	788676560	VYCBKZRWJZOOTD-UHFFFAOYSA-N	351.859	4.528	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2cccs2)nc1C	799760274	DMDBTCYQCBOPDK-UHFFFAOYSA-N	351.475	4.746	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	801176650	NUNOJXBTIXOAEQ-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cscc2Br)cc1	803084983	FQFXTPMUVCZTKQ-UHFFFAOYSA-N	353.285	4.565	50	20	FJGD	
COc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(OC(C)C)c1	812767915	WCIIXVKVSWWDQA-UHFFFAOYSA-N	356.466	4.671	50	20	FJGD	
CN(C[C@@H]1CCCN1C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	817313001	JESSBSBYUOIIGS-LBPRGKRZSA-N	373.391	4.902	50	20	FJGD	
CCOc1ccc(NNC(=O)C[C@H](C)c2ccccc2C(F)(F)F)cc1	817899046	GMBPSZCGMURVQU-ZDUSSCGKSA-N	366.383	4.741	50	20	FJGD	
NCC1(NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCC1	841190716	SCINBMPDMWIFFE-UHFFFAOYSA-N	359.364	4.737	50	20	FJGD	
CO[C@@H](C)c1nc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cs1	844335564	FJIYJANHIWTIQP-GOEBONIOSA-N	370.635	4.837	50	20	FJGD	
N#C/C(=C/c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1	917516067	IWQCXPVLCLWZTN-RGEXLXHISA-N	368.392	4.597	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)cs2)c1	917516210	OMKKAIRJDHXBOR-YBEGLDIGSA-N	360.438	4.969	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CSCc1ccccn1	175635992	YZZVAILVXJNWPS-UHFFFAOYSA-N	371.531	4.651	50	20	FJGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)C(=O)Nc1ccc(F)cc1	177609772	GNMNOAVYIITTTJ-DHZHZOJOSA-N	355.419	4.556	50	20	FJGD	
Cc1c(C(=O)NNc2cccc3cnccc23)sc2ccc(F)cc12	178481172	OHXICHZOPDSLAT-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1c2ccccc2-c2ccccc21	588516227	HFBVZHKDQYQDSD-SAPNQHFASA-N	366.420	4.528	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(C)c1	727093469	KZYMHQTYXCEUDB-ODLFYWEKSA-N	365.477	4.624	50	20	FJGD	
O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1cccc2ccccc12	727840535	KLAGRYPDVFCICX-UHFFFAOYSA-N	374.227	4.613	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1	731225779	PXELVGWGMHNXMX-CABCVRRESA-N	356.347	4.504	50	20	FJGD	
CCC(CC)[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1cccs1	745702978	MGFAQPRKOFFRHR-OAHLLOKOSA-N	352.891	4.600	50	20	FJGD	
O=C(NNc1ccccc1F)c1cccnc1SCC1CCCCC1	748050374	HKISIPDGLPISTM-UHFFFAOYSA-N	359.470	4.650	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1csc(-c2ccccc2)n1	752812432	HNERZZHPODMFHF-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755420056	BKVOXIKEFIWSIO-WFASDCNBSA-N	374.847	4.616	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc3c4ccccc4n(C)c3s2)c1	760137359	VVYXEAIXLYCKEE-UHFFFAOYSA-N	353.422	4.597	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1Br	765613648	WBMJXRMABNQRKC-YHYXMXQVSA-N	365.133	4.700	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1csc(-c2ccncc2)n1	765964058	DASDQNKZHOOGRP-CYBMUJFWSA-N	365.549	4.858	50	20	FJGD	
CC[C@@H]1CCCCC1=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	779767877	HXLSFTHLSQMHCG-CYBMUJFWSA-N	371.506	4.692	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1C#N)c1ccc(Cl)cc1Cl	787175581	CJINAVBJENRSBD-AZZDOICSSA-N	370.239	4.649	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	794934061	GISQOJIJOXLWPX-LZYBPNLTSA-N	361.426	4.584	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)cc1C	809145600	BEAFIPTXWLXNQH-NVNXTCNLSA-N	372.327	4.603	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@]1(C)CO	822611694	BCRDEBAMFQSTHN-YGRLFVJLSA-N	374.375	4.826	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cc1	837055070	AFDORUKKJSHALY-UHFFFAOYSA-N	368.403	4.537	50	20	FJGD	
NC[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCCC1	841180270	ZTBDMSGRYWRWGF-CYBMUJFWSA-N	373.391	4.983	50	20	FJGD	
C[C@@H]1CCCC(=NNC(=O)c2ccccc2OCc2ccc(F)cc2)C1	916295657	ZNJYAKHGWQBTIN-OAHLLOKOSA-N	354.425	4.701	50	20	FJGD	
CCCOc1c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cccc1OCC	213085078	PBJQQNMPNLTUGP-JXAWBTAJSA-N	364.445	4.728	50	20	FJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC[C@H]3CCC(C)C)sc2n1	727253945	ODLDXEYUCHUDCA-AWEZNQCLSA-N	372.538	4.817	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1cccc(Cl)c1	728717223	YBRYKXQRGZQEBM-GJZGRUSLSA-N	354.759	4.606	50	20	FJGD	
C[C@H](CC(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	733807343	BAHNDLYSCQBPCP-LLVKDONJSA-N	367.674	4.739	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)c3nc(C)c(C)s3)c2C)cc1	741473611	JPNQKOKSOIOGJF-VXLYETTFSA-N	362.502	4.994	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(OC(F)F)cc1C	742347279	YAXXKFCAVLULKB-CLXYIWAZSA-N	370.399	4.689	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccccc1SCc1ccco1	755958643	XKQVNBHXZMUXLD-UHFFFAOYSA-N	358.850	4.982	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1Br)c1nc(-c2ccccc2)no1	767716906	HDQYHYCCUBQYAQ-JYRVWZFOSA-N	370.181	4.702	50	20	FJGD	
C[C@@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CCCC[C@@H]12	782505191	VCICNRKEGUMKGP-WTIAFYNJSA-N	367.473	4.511	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	794873737	BDIZSUQFEKJRSS-GXDHUFHOSA-N	365.795	4.763	50	20	FJGD	
CSc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)cc1	798043896	XIWCTXUYNLAHGU-INIZCTEOSA-N	355.594	4.781	50	20	FJGD	
C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	799271037	GULDNNOEBHJNSS-SNVBAGLBSA-N	372.359	4.753	50	20	FJGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl	806564872	FUPRGXXSHRQYCH-RUDMXATFSA-N	374.149	4.886	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3c(C)cccc3C(C)C)c2c1	812767563	JVHAPVGXUYNSMT-UHFFFAOYSA-N	352.434	4.939	50	20	FJGD	
Cc1ccc2snc(C(=O)NNc3c(Cl)cccc3Cl)c2c1	815817997	SMGNCXBNWLPPIA-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
Cc1ccc2snc(C(=O)NNc3cc(Cl)cc(Cl)c3)c2c1	816472468	FRZUWSXTXMKBJT-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1cccc(Cl)n1	817007969	XXGICFSKKQRJLQ-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@H]1CN	841189786	JHCHNGHFQHLMRY-WDEREUQCSA-N	373.391	4.793	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@H](C)CN1	841190176	LTRQQRNZHRMTHX-VHSXEESVSA-N	359.364	4.558	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Cl	22016166	FCQCCQDZLSHFME-FMIVXFBMSA-N	366.726	4.784	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)c1	209376965	LZABLARLKGAWKB-KAMYIIQDSA-N	362.360	4.640	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c2c(c1)C[C@@H](C)O2	727743675	GLQYOAOKUKUMCE-ZLYHGVDXSA-N	372.424	4.598	50	20	FJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1	728696475	SIQOSVCHGOBCDJ-ONNFQVAWSA-N	352.608	4.587	50	20	FJGD	
Cc1cc2occ(CC(=O)NNc3ncccc3Cl)c2cc1C(C)C	734246160	YUNPURZOXACQPI-UHFFFAOYSA-N	357.841	4.599	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(OC(F)F)cc2)c1	734729063	LIVYCZKEQVAXEG-RKPNYOAGSA-N	373.355	4.508	50	20	FJGD	
CCSc1ccc(CC(=O)NNc2ccccc2C(F)(F)F)cc1	751584736	ZORBTXQTIKRNFX-UHFFFAOYSA-N	354.397	4.503	50	20	FJGD	
O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762412724	ANKJZOGQBCUTSJ-NEPJUHHUSA-N	371.327	4.950	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)c1ccccc1F	773908268	MOWOGTOTQLXZFF-AQTBWJFISA-N	358.372	4.686	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C(C)C)nc2ccccc12	777478200	PHFPFYOLCIHIER-UHFFFAOYSA-N	370.456	4.972	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(-c2cnn(C)c2)c1	801648338	XNRGMWONRQLGED-YBFXNURJSA-N	370.456	4.558	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CCC3(CCCC3)CC2)cc1OC	811634583	UITRRKMHAPVLLD-UHFFFAOYSA-N	358.482	4.704	50	20	FJGD	
Cc1c(C=NNC(=O)c2c(Cl)cccc2Cl)n(C)c2ccccc12	814834078	YNASLZQBZKJIBG-UHFFFAOYSA-N	360.244	4.557	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(OC(F)F)c(F)c1	816782451	XRUAFDCZFYNKHJ-UHFFFAOYSA-N	352.356	4.616	50	20	FJGD	
COc1cc(CCNC(=O)CCCC[C@@H]2CCSS2)ccc1Cl	819159919	JQHGRILYAXKXAE-CQSZACIVSA-N	373.971	4.721	50	20	FJGD	
CC(C)c1ccc(NNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1	837056047	RJMYUAWDSCJGQE-UHFFFAOYSA-N	363.461	4.931	50	20	FJGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1CCC(F)(F)CC1	846378601	IYRGJGTVUIKGOA-UHFFFAOYSA-N	356.722	4.627	50	20	FJGD	
CN(C)c1nc(C(F)(F)F)ccc1/C=C(/C#N)c1nc(C2CC2)cs1	899345092	FLGDGYLDHQRASJ-GHXNOFRVSA-N	364.396	4.564	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)c(OCCC)c1	916129220	BSKINPFKXPDUHT-ATVHPVEESA-N	353.418	4.956	50	20	FJGD	
CC(C)CC[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1ccc(Cl)cc1	918230381	GQAOXJVRUUOPAT-HNNXBMFYSA-N	369.893	4.556	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC(C)C)c2)cc1Cl	921259827	ZXIIIBGVGWQZLM-DHDCSXOGSA-N	370.836	4.681	50	20	FJGD	
NCC[C@@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	926087281	HOSRHPFCASAKHC-SNVBAGLBSA-N	359.364	4.547	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)ccc1F	1341110617	GOSZUVPSLVWEAJ-QCDXTXTGSA-N	350.176	4.931	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)O)c2F)cc1	1776697494	FYJJBFSFYYOYLI-YYTPVVGHSA-N	366.392	4.583	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(CC(=O)O)cc2)CC1	1776778883	CQUGRTFHBBQWTJ-DEDYPNTBSA-N	353.462	4.786	50	20	FJGD	
Cc1coc(-c2cc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)ccc2C)n1	588431338	GPWVMGGDGLCZEZ-CXUHLZMHSA-N	361.376	4.643	50	20	FJGD	
C=C(C)COc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)ccc1OC	735618869	GPIMSGKUHJUVGK-YVLHZVERSA-N	359.429	4.899	50	20	FJGD	
CC[C@H](C(=O)NNC(=O)C[C@H](C)c1ccc(C(C)C)cc1)c1ccccc1	737557738	LZBQAXXWDZDLKV-UWJYYQICSA-N	366.505	4.645	50	20	FJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1ccc(Br)s1	740765535	FGOVEGATGGVLGN-XFXZXTDPSA-N	369.243	4.849	50	20	FJGD	
CC[C@@H](SC)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	746812560	ZEKRHOTXAJPRJE-SKDRFNHKSA-N	357.850	4.986	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2F)o1	747604404	AYFQCKOTQVRRNV-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1cc2ccc(F)cc2s1	748501088	CTFCDCUQXYCQPT-UHFFFAOYSA-N	370.327	4.696	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(/C#N)C(=O)c1ccoc1C	755032667	RQNWHFVSIZZOLC-GHXNOFRVSA-N	362.248	4.862	50	20	FJGD	
Cc1sc(C(=O)NNc2ccc(Cl)nc2)cc1-c1ccc(F)cc1	755826643	AKXHTXNFFHJUJL-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1	764889513	ZUAWHKIJIMSPQJ-QGOAFFKASA-N	355.397	4.728	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Br)c1	768268793	OFZKHIUJPDGNDW-WDZFZDKYSA-N	358.182	4.573	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccc(F)cc2C)c(Cl)c1	771430967	FBZYXMJMQPFHLJ-UHFFFAOYSA-N	350.821	4.723	50	20	FJGD	
CCc1nc2ccccc2n1C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	772379583	VQSNJHZZDDSOQK-SRZZPIQSSA-N	374.463	4.939	50	20	FJGD	
CCC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772956512	ZVVOFNJRLNGIOD-SNVBAGLBSA-N	374.375	4.930	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)c1ccc(F)c(Cl)c1	773143979	HMQQGXWBUDUKSC-WUXMJOGZSA-N	351.711	4.870	50	20	FJGD	
Cc1cccc(NNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1	781896177	CBWJTHWLDNWRAL-UHFFFAOYSA-N	368.786	4.842	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788976526	DHGSBQBTIUGCRM-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
CSSCCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl	790880933	ZUJAUEOEUSGELG-SECBINFHSA-N	353.340	4.707	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2CC)c1C	791153952	VUGMBQIWFJKHDJ-UNOMPAQXSA-N	365.477	4.719	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cccc(-c2ncco2)c1	792345317	ZNWWFGJWWBKNDU-UHFFFAOYSA-N	363.204	4.797	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)Nc1ccc(SC(F)F)cc1	811686603	XTHNIVPBOZYGMW-WQLSENKSSA-N	373.359	4.558	50	20	FJGD	
CO[C@@H](CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	836498183	LEOPUMDBDLGABS-LBPRGKRZSA-N	360.348	4.891	50	20	FJGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)OCC(F)(F)F	853429304	HOLQSSLXOBLHTM-SNVBAGLBSA-N	368.277	4.617	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nc(C3CC3)cs2)c(C)n1CC(C)C	914527381	KUYQDNUYYUFSES-CAOOACKPSA-N	368.506	4.641	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1	920067898	FKEPTZUHLCHHKX-ZSOIEALJSA-N	353.834	4.931	50	20	FJGD	
CN(Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)CCl	1119733800	VIHHVPQSLACGGM-UHFFFAOYSA-N	353.849	4.616	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776384127	PUEOCWNSHKZMGX-LCYFTJDESA-N	367.355	4.658	50	20	FJGD	
N#C/C(=C/c1ccc(/C=C\C(=O)O)o1)c1nc2cc(Cl)ccc2s1	1777566170	SLECMYRRILPODK-KFUKRSJGSA-N	356.790	4.705	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	63275817	FIPKTESSUAILON-ZSOIEALJSA-N	351.456	4.726	50	20	FJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(OCc2ccccc2C#N)c1	66746186	PBVSSOGSQLRNDV-JAIQZWGSSA-N	368.392	4.829	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2c[nH]nc2-c2c(F)cccc2F)n1	129061462	BLESTEUJTKORMT-IZZDOVSWSA-N	356.401	4.999	50	20	FJGD	
Cc1nn(C)c(C)c1CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183387494	APEBNOPVRRZCRG-UHFFFAOYSA-N	369.359	4.876	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(C)c1O	211583100	YEJOHNVXFCEVTB-JYRVWZFOSA-N	361.228	4.862	50	20	FJGD	
Cc1cccc(NNC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1	215779989	DCPDRTLOJGTBBP-MOSHPQCFSA-N	364.493	4.510	50	20	FJGD	
O=C(NNc1cccc(F)c1)[C@H](Sc1ccccc1F)c1ccccc1	748101915	QIVKWUVYASEVMW-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	750797326	ZFGSQSDZOISBDJ-RXEMRJGZSA-N	360.791	4.556	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC[C@@H](CCO)C1	752971720	COVZRHNEMWHNRA-NSHDSACASA-N	374.375	4.970	50	20	FJGD	
Cc1ccccc1C(=O)NN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1	753922832	DVTKRVGXVQQDNU-UHFFFAOYSA-N	364.489	4.666	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C#N)C(C)(C)C)c(C)n1C1CCCCC1	755374201	CKRIQTQXSFPHDP-YWFITGJYSA-N	366.509	4.572	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/C=C\c3ccc(F)cc3F)nc(O)c2c1C	758017527	OONSMTVPQWJZPJ-FBOMXQGKSA-N	369.396	4.912	50	20	FJGD	
CCC(CC)(C(=O)NNc1cc(C)ccc1C)c1ccc(OC)c(OC)c1	759971633	SVFFVVSCQDOYQI-UHFFFAOYSA-N	370.493	4.522	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC)CC(F)(F)F)c1C	760771326	FWFWJQHMTLWFNL-LPPOOGIUSA-N	369.431	4.659	50	20	FJGD	
CC(C)(C)CCNC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762635741	GTKPNSUUHDYRFS-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
COc1cc(/C(C#N)=C\c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-]	766777122	CZCMGGHSZQESRU-GDNBJRDFSA-N	363.398	4.791	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3c(F)cccc3Cl)c2c1	770196644	BDTAUELICNOUHW-UHFFFAOYSA-N	369.827	4.970	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1	775256651	FXHLSGZDBHJJCU-UHFFFAOYSA-N	373.378	4.675	50	20	FJGD	
Cc1ccnc(Oc2cc(NC(=O)NNc3ccc(C#N)cc3)ccc2C)c1	775646434	HBKDPNLEQHBVPE-UHFFFAOYSA-N	373.416	4.511	50	20	FJGD	
C[C@H]1CCCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	777842850	JVWHCFGLNIRLMC-JTQLQIEISA-N	365.389	4.765	50	20	FJGD	
COc1cc(NNC(=O)/C(C)=C\c2cccc(Cl)c2)ccc1Cl	790186652	CWXKZCLOLAZQQC-FLIBITNWSA-N	351.233	4.549	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(C2CC2)cnc1Cl	793959715	WJKFUWBYPYIKGA-UHFFFAOYSA-N	356.640	4.676	50	20	FJGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797407452	ULOKEMABDPIDJS-RIYZIHGNSA-N	364.474	4.903	50	20	FJGD	
CCN1C(=O)CCc2cc(NCc3ccc(OCCCCl)cc3)ccc21	811490289	OLQAJGZZRXRXIY-UHFFFAOYSA-N	372.896	4.606	50	20	FJGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)c1ccc(Br)s1	814759541	GQMMMQXFGQESNW-LBPRGKRZSA-N	363.280	4.564	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc([C@@H]2CCOC2)cc1	818731064	OAJSCHJAXSNXKV-WBVHZDCISA-N	351.537	4.843	50	20	FJGD	
CC(C)c1noc([C@@H](C)N2CCC(CO[Si](C)(C)C(C)(C)C)CC2)n1	844347314	VONZGGLSVPUUKW-OAHLLOKOSA-N	367.610	4.988	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCO[C@@H](C(C)C)C1	901850406	LXSKAPHJTQEBAW-FUHWJXTLSA-N	360.523	4.774	50	20	FJGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	916336616	KIUFNDCYPATJNX-INIZCTEOSA-N	371.440	4.547	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2c[nH]c3ccc(C(=O)O)cc23)s1	1776277042	GSFRFQZZFYBHCI-WUXMJOGZSA-N	351.431	4.684	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1Br	7157842	KSHMYVCJKIUZJC-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1Cc2ccccc2S1	14212745	XXPASFFEBLBVMZ-ZDUSSCGKSA-N	373.692	4.807	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nnc(-c2ccccc2)s1	28283306	BNLNXELUHGZIJD-CYBMUJFWSA-N	365.549	4.858	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)ccc1O	96973278	BMRGWHRDDKYWEH-LCYFTJDESA-N	355.344	4.600	50	20	FJGD	
Cc1n[nH]cc1NC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	120062919	IUKBAEURZRIHRA-LLVKDONJSA-N	364.780	4.581	50	20	FJGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccc2ccccc2n1	181085138	CRTPUHZXPIBKSP-UHFFFAOYSA-N	364.408	4.530	50	20	FJGD	
Cc1ccc(F)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	214219354	LOKNNJRNLYKTFK-NVMNQCDNSA-N	353.441	4.754	50	20	FJGD	
CC(C)(C)n1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1	588580715	FFJBCEKOFUJQDT-JYRVWZFOSA-N	369.881	4.874	50	20	FJGD	
CC(C)OCc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	748012198	LGQCMBLYWOASDA-UHFFFAOYSA-N	353.249	4.675	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1cc2cccc(Cl)c2o1	753330168	XKAFVFDJKVIWNB-UHFFFAOYSA-N	365.614	4.606	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)c2cccc(C#N)c2)c1C	764611316	AYSJIVZKVPTHID-WCEBZYJUSA-N	361.445	4.598	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC(=Cc2cccc(F)c2)CC1	767033271	PWUVWQKQUNBQDD-MRXNPFEDSA-N	368.290	4.641	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cscc2Cl)cc1Cl	771838729	AGRBKJYALXPWQW-WTKPLQERSA-N	353.230	4.609	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773147061	ZAUGBLPJWVAVRJ-MLPAPPSSSA-N	362.257	4.645	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1cc(F)c(F)c(F)c1	775546835	SZJRXSJPYRSHOZ-UHFFFAOYSA-N	369.412	4.673	50	20	FJGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	775767341	ZRWMGTJSWJHBEO-LBPRGKRZSA-N	369.391	4.658	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)c1scc(C)c1Cl	790804036	ODFBERJLWSUPHI-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@@H]1N	841190269	OEPOSEKEVBIYJN-GWCFXTLKSA-N	373.391	4.935	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)c1ccc(F)cc1	921266030	VBNMLKXGTFMWQZ-WUXMJOGZSA-N	350.176	4.931	50	20	FJGD	
N#C/C(=C\c1ccccc1Br)C(=O)Nc1ccccc1Cl	6410794	QFGJAXUEDYGPLF-FMIVXFBMSA-N	361.626	4.648	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1nccs1	20508329	QDRSOZMPACDUKX-PKNBQFBNSA-N	355.806	4.602	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)c3ccoc3C)cs2)cc1	63277578	ULXLFZFGLSIIRI-DHDCSXOGSA-N	364.426	4.722	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)c1ccc(Br)s1	158858166	OFONTOJVWZBZDS-OQFOIZHKSA-N	354.175	4.579	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccccc1OC	175624269	LDBOWPFYWWCOSU-UHFFFAOYSA-N	354.475	4.574	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccsc3)n2)cc1	212389176	VMSLODNUAHSSTK-SXGWCWSVSA-N	365.483	4.980	50	20	FJGD	
O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12	254815350	PXSPDDHYMQYGJW-UHFFFAOYSA-N	369.424	4.511	50	20	FJGD	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F	303371074	JQZZGVBFMQCMCM-MLPAPPSSSA-N	370.232	4.779	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2Oc2cccnc2)cc1	728318553	MYWRVDVDPKUONW-MOSHPQCFSA-N	370.408	4.833	50	20	FJGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)c1nc2cc(F)ccc2s1	730148663	JGTKJCPOWCVLMH-JXMROGBWSA-N	354.797	4.801	50	20	FJGD	
Cc1cc(C=NNC(=O)c2cccc3ccccc23)c(C)n1Cc1ccco1	741462955	TWCLKOFLTOILCW-UHFFFAOYSA-N	371.440	4.663	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1CCC(c2ccccc2)CC1	748644753	RGDGLLRMKQCORO-UHFFFAOYSA-N	360.404	4.705	50	20	FJGD	
Cc1c(C(=O)NNc2cc(Cl)ccc2Cl)oc2c(F)cccc12	752812540	GMQUPTQQDGIZSH-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnc(C3CCCC3)s2)c1C	767718618	VWROTQAMCFQUQG-MHWRWJLKSA-N	351.475	4.963	50	20	FJGD	
CCn1nc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)c2ccccc21	769742767	OQVXIRZCYMQJFS-QBFSEMIESA-N	363.371	4.865	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1ccccc1SCC(F)(F)F	769946141	NPKLGTVHTFYCKQ-UHFFFAOYSA-N	359.348	4.629	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(F)cc2C(F)(F)F)ccc1[N+](=O)[O-]	774558413	CGXRJOXHEJXIIV-SDQBBNPISA-N	366.270	4.825	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3cc(F)cc(Cl)c3)nc(O)c2c1C	776722623	VBMDBPXPTOWAHB-JYOAFUTRSA-N	359.813	4.870	50	20	FJGD	
C=CC[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	779368083	HIXHPFBZKCHXNS-MRXNPFEDSA-N	351.837	4.691	50	20	FJGD	
N#C/C=C(\c1ccc(Br)c(Cl)c1)N1CCC[C@@H](CC#N)C1	852320425	KPEIBCXSMCSJME-RVWHDZECSA-N	364.674	4.593	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1c(F)cccc1Cl	1179698022	YXEJFJOBTLMTPX-GFCCVEGCSA-N	361.935	4.852	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nnc(C(C)(C)c3ccccc3)o2)cc1	1325782975	JETGGPNZIYNNMH-VKAVYKQESA-N	359.429	4.858	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(C)c1O	6410404	JOQYLHJYETXJOR-NTEUORMPSA-N	374.412	4.869	50	20	FJGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	151503800	IVPIXHGKLBOIHB-UHFFFAOYSA-N	374.611	4.620	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(C2SCCS2)c1	184005659	DRZREHILWWAZTO-UHFFFAOYSA-N	363.483	4.761	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cc(F)ccc1OC	186653926	NXUZNGLESFTCNG-UHFFFAOYSA-N	372.465	4.713	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	207705372	AIPNDDURFFZWLG-OVCLIPMQSA-N	372.815	4.797	50	20	FJGD	
C[C@H]1C[C@@H](O)CCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297047205	CCCVRJUENBZZHV-ONGXEEELSA-N	360.348	4.721	50	20	FJGD	
N#C/C(=C/c1cnc(-c2cccs2)s1)C(=O)c1cc(F)cc(F)c1	588598208	KIAZYFGOZGHKHM-WDZFZDKYSA-N	358.394	4.940	50	20	FJGD	
N#C/C(C(=O)CSc1cccc(Cl)c1)=C1\Nc2ccccc2S1	726121049	METGIHPEBCTFGT-LGMDPLHJSA-N	358.875	4.954	50	20	FJGD	
C[C@H](NC(=O)NNc1ccccc1Cl)c1nc(-c2ccccc2)cs1	730678118	UJSQIVFJVLRSMV-LBPRGKRZSA-N	372.881	4.851	50	20	FJGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NNc1ccccc1	734274402	JAYFSROVYLQKFL-ZDUSSCGKSA-N	370.453	4.645	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H](CO)CC1CC1	752983982	GKXJRLPTVDUFFL-LLVKDONJSA-N	360.348	4.627	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)c(OC)cc1Cl)c1ccccc1	753922920	ZUWWEYZKOPFRIN-CQSZACIVSA-N	365.260	4.646	50	20	FJGD	
O=C(NN=Cc1ccc(F)cc1Br)c1ccc2ccccc2c1	767776232	MUGUORMGZAURIB-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1	785185432	POVPDGUJTBOROO-BOPFTXTBSA-N	373.387	4.904	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	800622879	QGEHLVLAITWFTP-MWFMVVAPSA-N	358.416	4.580	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccc(C(F)(F)F)cc3)sc12	809729372	GAAXMSJSWOIJDR-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)CCCC[C@@H]2CCSS2)c1	839903437	GWOGIVHDVCNPPA-JQHSSLGASA-N	365.564	4.629	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2nccn2C(F)F)CC1	844346638	NXGRYRQVJJHKEM-UHFFFAOYSA-N	359.537	4.512	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(O)c2)c(C)n1-c1ccccc1F	915856218	GWPNCQOQBOPIJR-BOPFTXTBSA-N	360.388	4.729	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2F)cc1	1776271673	VEAOPENLTVIWNR-RVDMUPIBSA-N	351.377	4.611	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC(F)F	7157033	MPPBUCYVRZUTQU-XNTDXEJSSA-N	372.371	4.541	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(C)c(OC(F)F)c(C)c2)c1	7211443	OWYJFDNRGMBXDX-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)ccc1OC(F)F	25889755	FYSLCJBHCNTPBO-NTUHNPAUSA-N	363.747	4.740	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(Cl)ccc1Br	158325714	HEEAOJNTRACTLE-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(F)cc2C(F)(F)F)cc1	181119365	JRCFFSNDDQAOLF-UHFFFAOYSA-N	354.347	4.899	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)c1nc2ccccc2n1C(F)F	255589880	XYXJICKLORATHI-GDNBJRDFSA-N	361.355	4.681	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnc(-c3ccccc3)s2)c1C	727264646	XKNMPQRBGOLRPJ-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1OC	735616704	GGYLBBPWXIXBPE-RIYZIHGNSA-N	367.836	4.996	50	20	FJGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)c1	738555664	FYIZHAFANMJRIU-INIZCTEOSA-N	369.534	4.630	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)CC3CC3)cc2)cc1	756820902	RAZKSKQPRMHFPB-UHFFFAOYSA-N	366.461	4.570	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NC(=S)NC2CCOCC2)c1	762445325	UDJJJQQIDVVVRS-UHFFFAOYSA-N	362.389	4.809	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	788963741	KIBIOWVWGPYOHI-NSHDSACASA-N	354.759	4.878	50	20	FJGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797406783	JSJDQKGOEXZYKC-NTUHNPAUSA-N	358.463	4.531	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(F)n2)sc1-c1cccc(Cl)c1	804765646	RYTDVXCSPHHQMQ-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1sc2cc(F)ccc2c1C	807199083	RKQXMSXXOQCAKL-UHFFFAOYSA-N	365.433	4.962	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3ccc(Br)cc3)sc12	809585115	AEJJMKKJIQPQEJ-UHFFFAOYSA-N	361.264	4.729	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	810200110	VCRCOJWCKBMTAF-BOPFTXTBSA-N	366.424	4.965	50	20	FJGD	
OCC[C@@H](NCc1ccc(OCCCCl)cc1)c1ccc(Cl)cc1	811508072	XYDPIBMSWLCQGT-LJQANCHMSA-N	368.304	4.561	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccco2)c1C	914496304	VWPPRRYXTBHCOQ-AMRJIULGSA-N	353.466	4.625	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccsc2)ccc1OCC(C)C	915990312	ZXCPIKORNXJLLH-RQZCQDPDSA-N	355.459	4.971	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)c1C	917619226	ICTQHWVCYOBMLE-JXAWBTAJSA-N	363.461	4.664	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@H]2CCc3n[nH]cc3C2)c1	921759069	PTSSDXHRPIHMRZ-LBPRGKRZSA-N	353.360	4.714	50	20	FJGD	
Cc1cccc(NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1	1115832390	NKAFNQSOQSSOJT-UHFFFAOYSA-N	353.853	4.813	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C(F)(F)c1ccc(Cl)cc1	1317879258	BEZBZVWHWIXOPI-UHFFFAOYSA-N	364.701	4.594	50	20	FJGD	
COc1ccc(CCc2nnc(CCCC[C@H]3CCSS3)o2)cc1	1331854011	SAENNSBBJDAMLR-INIZCTEOSA-N	364.536	4.730	50	20	FJGD	
COC(=O)c1cccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)c1	1340357551	VANGPBCGHXNWGN-MDWZMJQESA-N	354.818	4.800	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)C3CCCCC3)cs2)c1	128929747	FWPDIQYNNCIYRK-YBEGLDIGSA-N	352.459	4.875	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(SC(F)F)cc1	153715636	QQIRTKKLCURYNJ-UHFFFAOYSA-N	362.323	4.777	50	20	FJGD	
CC1(C)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCO1	181779297	ZVJLKQJJHRMUFZ-UHFFFAOYSA-N	360.348	4.987	50	20	FJGD	
C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CCOC1	277505573	VTIFHPSTCBAHGS-NXEZZACHSA-N	360.348	4.891	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)c3nc(C)c(C)s3)c2C)cc1	741473609	JPNQKOKSOIOGJF-GRSHGNNSSA-N	362.502	4.994	50	20	FJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2cc(Cl)ccc2Cl)s1	748512654	RMNSLOVALOFPGE-ALCCZGGFSA-N	370.305	4.904	50	20	FJGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1cccc2c1CCCC2	748588581	OJMBGFSNBQBCLZ-QGZVFWFLSA-N	362.395	4.745	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(Cl)nc2)c(C)n1CC(F)(F)F	748997911	LJMCLDZUANEVSV-MLPAPPSSSA-N	367.758	4.506	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc(Cl)nc2C)c1C	757967832	CKFPXMVFACHAFN-VCHYOVAHSA-N	371.868	4.522	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC)cc1OCc1cccnc1	766491394	OFSKQOHQMNFMOI-ODLFYWEKSA-N	364.445	4.581	50	20	FJGD	
CCC(C)(C)OCc1cccc(NC(=O)NNc2cccc(C#N)c2)c1C	770063337	RPRMKQJUSSZZNG-UHFFFAOYSA-N	366.465	4.721	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	774557329	CXEMILVHRFWSIC-GZTJUZNOSA-N	352.390	4.765	50	20	FJGD	
COc1cc(F)ccc1NNC(=O)c1cc(-c2ccccc2)ccc1Cl	788184105	GUFZUJJPHCCNIW-UHFFFAOYSA-N	370.811	4.912	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(Cl)cc2cccnc12	791727094	MIFOYCQROPSJLC-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)ccc1Br	799756724	HXLUJFPIPHIHMX-UHFFFAOYSA-N	367.674	4.730	50	20	FJGD	
Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(CCl)c2)cc1	799891051	JAPXZURDJFMSPP-YHYXMXQVSA-N	366.848	4.634	50	20	FJGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1cc(Cl)cc(Cl)c1	807392297	XYOWLSXYXOMKIT-GFCCVEGCSA-N	374.271	4.864	50	20	FJGD	
ClCCCOc1ccc(CNCc2ccnc(OC3CCCC3)c2)cc1	811473785	LXFWGFYRFXZWQJ-UHFFFAOYSA-N	374.912	4.701	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCOC2(CCCCC2)C1	813107296	LVURPPMUUCVLHC-KRWDZBQOSA-N	359.514	4.626	50	20	FJGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC[C@@H]2C(C)(C)C#N)cc1	814704387	MBUZLYOOLKUIDX-IBGZPJMESA-N	362.477	4.530	50	20	FJGD	
CCCN1CC[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	822612071	FEYCGNDUIUVRDI-GFCCVEGCSA-N	373.391	4.950	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3cnccc23)c1C	875865902	SZQKNKQKSYAQTA-XDHOZWIPSA-N	358.445	4.609	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc2c3c([nH]c12)CCCC3	913686878	AJLYHQBNIAHUHF-UHFFFAOYSA-N	373.378	4.822	50	20	FJGD	
C[C@@H](CCc1ccco1)NC(=O)NN(Cc1ccccc1)c1ccccc1	915913909	JIBNXEMXTMIDAI-SFHVURJKSA-N	363.461	4.522	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c2ccccc2n1	915922115	AIXHULHUOUVJQU-UHFFFAOYSA-N	358.228	4.614	50	20	FJGD	
CCOc1ccc(C(=O)NN=Cc2ccccc2-c2ccccc2)cc1OC	917539989	KEIJXEPUZFXPQP-UHFFFAOYSA-N	374.440	4.525	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)c1ccc(Br)s1	107067017	RBLCLHOEAHEKHH-JYRVWZFOSA-N	372.243	4.619	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(Cl)ccc1Cl	128651232	WPWXRQTVZBJTPN-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)c1c[nH]c2ccccc12	178808878	DBECOLNKLKAKML-KPKJPENVSA-N	356.303	4.698	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)c1ccc(Br)s1	179178474	OFONTOJVWZBZDS-YCRREMRBSA-N	354.175	4.579	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl	214124784	VUROZCJRRVXIIC-BJMVGYQFSA-N	367.619	4.898	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1cc(Cl)cc(Cl)c1	588421017	AAYOEPMQUORCEY-UITAMQMPSA-N	353.186	4.753	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c2n[nH]cc2c1	726521817	UWYNVBPNUPBNQX-UHFFFAOYSA-N	369.639	4.588	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2cccs2)c(OC)c1	726595020	SMYDIMFMDCATRO-DWKHYPNZSA-N	355.459	4.858	50	20	FJGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1cccc(OC(F)F)c1	728434660	LIOQXWXYQJQBTD-UHFFFAOYSA-N	360.404	4.663	50	20	FJGD	
COCCOc1cccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	730147933	AEAUOYXKNOAPQN-ZROIWOOFSA-N	354.406	4.525	50	20	FJGD	
CC(C)(C(=O)NN=Cc1sc2ccccc2c1Cl)c1ccccc1	731151389	YNSMLDBCNNHMAB-UHFFFAOYSA-N	356.878	4.983	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1)C1CCCCC1	732716385	PHBRNUHFRWSCLL-PTNGSMBKSA-N	369.465	4.647	50	20	FJGD	
Cc1ccccc1O[C@H](C)CNC(=O)CCCC[C@@H]1CCSS1	742142556	MUUZATWWQLNYRO-HZPDHXFCSA-N	353.553	4.593	50	20	FJGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccccc1C(F)(F)F	742516915	QGAAIVRVVHAPHE-GFCCVEGCSA-N	354.347	4.557	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1Br	746827024	WZUMBLFNVWZDEX-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)NCc1cccc(Cl)c1	761385348	LRXIMWSTUXIIRL-YRNVUSSQSA-N	370.783	4.644	50	20	FJGD	
Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)c(C(F)(F)F)o1	769722775	FDWQEJKZHYMHST-UHFFFAOYSA-N	374.362	4.958	50	20	FJGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNc3cccc(Cl)c3)c2)n1	775673591	PLMURAZGUMIXNJ-UHFFFAOYSA-N	356.813	4.760	50	20	FJGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788328256	MYCPKUTZPHCTKK-SFQUDFHCSA-N	363.438	4.716	50	20	FJGD	
C[C@]12CCN(C(=O)CCCC[C@H]3CCSS3)C[C@H]1C2(Cl)Cl	791179979	IBVSDHQFFPUESR-SCRDCRAPSA-N	368.395	4.743	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cnn(C(C)(C)C)c1C	812861346	QTLHQBQDHLREON-UHFFFAOYSA-N	370.522	4.897	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2c(c1)oc1ccccc12	1117143840	UTHDYEFEFZBUKX-UHFFFAOYSA-N	356.303	4.760	50	20	FJGD	
CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CC)CCC2)cc1	1786258599	ZBQQUVBPTAALKB-WMLDXEAASA-N	364.917	4.574	50	20	FJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	3326421	QJDIZIWQNASZJN-SFQUDFHCSA-N	370.399	4.958	50	20	FJGD	
C[C@@H](Sc1ccc(F)cc1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	25592019	PAHCGMRMAFCQDY-VVLNONDKSA-N	356.447	4.828	50	20	FJGD	
CC(=O)Nc1cc(Cl)ccc1NC(=O)CCCC[C@H]1CCSS1	106025602	IOOCMYQNSMQMFF-ZDUSSCGKSA-N	372.943	4.951	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c(OC)c1	125217904	QCRYRZORVGTEJZ-VZUCSPMQSA-N	368.742	4.835	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1C(F)(F)F	128738831	QZMWDISWBVJLPE-YHYXMXQVSA-N	370.252	4.668	50	20	FJGD	
Cc1cccc(NNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)c1	195668438	BLFLYPCZFURQTQ-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	255421557	RGKLESIFTWDCNM-GHXNOFRVSA-N	374.755	4.576	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCCSCc1ccccc1F	302708095	IRCKJKXRKANFKR-HNNXBMFYSA-N	373.584	4.889	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)s2)cc1	734306383	NQEZPRHPGJAZMV-POVFRKGSSA-N	365.502	4.720	50	20	FJGD	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCP(=O)(c1ccccc1)c1ccccc1	744403739	XVGSKWRZSWCGRZ-QTEQDKRBSA-N	367.473	4.654	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	748101826	IENKZRSVLSNUOJ-UHFFFAOYSA-N	360.310	4.667	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc3ccncc23)c1C	755601762	GAPSZNDFXGRTCT-XDHOZWIPSA-N	358.445	4.609	50	20	FJGD	
CC(C)Oc1cc(O)ccc1NC(=O)CCCC[C@@H]1CCSS1	762697613	ZSJPYYDHWYLXJZ-CQSZACIVSA-N	355.525	4.832	50	20	FJGD	
CCOc1nccc(C)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	764741601	YQTRWJPDDRBIJY-UHFFFAOYSA-N	374.655	4.506	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1Cl	776256969	IEQNKTMHEYVADH-MDWZMJQESA-N	363.747	4.740	50	20	FJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)c1cccc(C(F)(F)F)c1	782367745	BIRZCYBEYQOWDV-SXGWCWSVSA-N	355.315	4.814	50	20	FJGD	
CC(C)c1ccoc1C(=O)NNc1ccc(Br)cc1Cl	786427077	ODHUAUCSFXYQCU-UHFFFAOYSA-N	357.635	4.576	50	20	FJGD	
C=C(CBr)CN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl	791473383	SVKWQHPKKURPQI-AWEZNQCLSA-N	374.754	4.589	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c(Cl)c1	797034727	DTEAXDHKOPMFIF-CXUHLZMHSA-N	354.837	4.820	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(-c2ccccc2)c1	805264212	MLBROHZNYHTTFG-UHFFFAOYSA-N	353.853	4.658	50	20	FJGD	
CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	817311765	KENZUKHKFAGEJW-LBPRGKRZSA-N	373.391	4.902	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2c2ccccc2)c1C	827238111	GTKNYCQQTNQUBH-GYZZIOIESA-N	361.489	4.786	50	20	FJGD	
Cc1ccc(NNC(=O)c2oc3ccccc3c2COC(C)C)cc1F	856231648	GJSBEYSPGMURDB-UHFFFAOYSA-N	356.397	4.562	50	20	FJGD	
COc1ccc(F)cc1[C@@H](C)NC(=O)NNc1ccc(Cl)cc1Cl	916591500	QDQBNYMBCKKSIS-SECBINFHSA-N	372.227	4.528	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)cc(Cl)c1	921138368	HEQWWRQUBQGIDA-ACAGNQJTSA-N	360.196	4.554	50	20	FJGD	
C[C@H]1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC[S@](=O)C1	1335000416	GDUZVMGLIOQENF-MQJDWESPSA-N	363.417	4.544	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)cc2)cc1	7068508	ZZLMTTWOJJAKGP-PXLXIMEGSA-N	368.436	4.586	50	20	FJGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\C#N)c2ccccn2)cs1	7155386	KEAVRDRGPWDAQB-GZTJUZNOSA-N	374.469	4.904	50	20	FJGD	
N#C/C(=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccccn1	60421416	DVPIYRALNXSMNH-UKTHLTGXSA-N	353.834	4.835	50	20	FJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccccc2C(F)(F)F)s1	173281034	DBMZPJWPSLLFNN-CMDGGOBGSA-N	369.412	4.616	50	20	FJGD	
CC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186073799	VPUAGDPVCYSTIE-ZDUSSCGKSA-N	372.359	4.684	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)c1cnc2ccccc2n1	191360260	WZYFYWFFWXYKKF-LFIBNONCSA-N	369.403	4.636	50	20	FJGD	
CCOC(=O)C1(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	191947904	KQUOJPRBAWFKCL-UHFFFAOYSA-N	359.316	4.626	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)c1c[nH]c2ccccc12	207893663	IGMGTKFLYQGQHV-LCYFTJDESA-N	351.203	4.720	50	20	FJGD	
Cc1cccc(OCCN(C)C(=O)CCCC[C@H]2CCSS2)c1	302840349	AFAZIRDWWBIOHA-KRWDZBQOSA-N	353.553	4.546	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)c1nc(-c2ccccc2)no1	727975011	RZUAZUUINOWHNL-ZROIWOOFSA-N	357.291	4.699	50	20	FJGD	
CCC(C)(C)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742006175	NOHSQBBTFYWKIZ-UHFFFAOYSA-N	354.075	4.635	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2ccc(Cl)cc2)s1	743819086	AAGFXZOPGVKGGI-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Br	746394704	PRPUJCMAVAIHTF-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(Oc3ccccc3Cl)cc2)c1	748048293	QHCKFOVQBMUKSJ-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	748561394	GMLUHIHXOWTDSM-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	748563181	YQRPCGLWXNYIRZ-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1[N+](=O)[O-]	772176720	OVINTVLVDLUNLD-RZNTYIFUSA-N	356.328	4.786	50	20	FJGD	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	775639456	RCNSFEXBFDDMQF-RVDMUPIBSA-N	357.356	4.865	50	20	FJGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	782369729	OCWMATBZSOYQKH-JLHYYAGUSA-N	361.319	4.512	50	20	FJGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1cccc(C(F)(F)F)c1	782370084	RYFOTIZNBHKZQM-QINSGFPZSA-N	367.330	4.681	50	20	FJGD	
O=C(Nc1cnc2c(c1)CCCC2)NN(Cc1ccccc1)c1ccccc1	782662062	WEOVBEOGQLSTBA-UHFFFAOYSA-N	372.472	4.704	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cscc1Br	797266506	CJIBKFYHSLUEFQ-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
Cc1cc(F)cc2c1CN(C(=O)CCCC[C@@H]1CCSS1)CC2	800367389	GKCINECVHDSLGM-MRXNPFEDSA-N	353.528	4.733	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	812241384	HIBZVUXJPLBONI-SDQBBNPISA-N	354.768	4.759	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc1	817905002	WDIXLBMHSXYORM-UHFFFAOYSA-N	367.836	4.558	50	20	FJGD	
CCOCCOCc1cccc(NC(=O)NNc2ccc(C(C)C)cc2)c1	836300028	XSDXKCOTGYMTTN-UHFFFAOYSA-N	371.481	4.512	50	20	FJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](CN)C1CC1	841179093	JLWFRUSNNZWGDT-LBPRGKRZSA-N	359.364	4.545	50	20	FJGD	
Cc1ccccc1C1(C(=O)NNc2ccc(OC(F)F)cc2)CCCCC1	857473965	MHKWQAUIYTXKOJ-UHFFFAOYSA-N	374.431	4.942	50	20	FJGD	
CC(C)c1ccccc1OCC(=O)NNc1ccnc2cc(Cl)ccc12	913188261	MEUNDEROGOFHET-UHFFFAOYSA-N	369.852	4.534	50	20	FJGD	
O=C(Nc1ccc(F)c(F)c1)NN(Cc1ccccc1)c1ccccc1	915306220	KDEMGQZAZZZKPE-UHFFFAOYSA-N	353.372	4.708	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)C(=O)c3ccsc3)c2C)cc1	915990144	VSXQECVYTFNDOR-GRSHGNNSSA-N	361.470	4.708	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1c1cccc(Cl)c1	1338037438	GAUYZCVWAULCIH-UONOGXRCSA-N	358.707	4.813	50	20	FJGD	
O=C(O)c1ccc2scc(C=NNC(=O)c3cccc4ccccc34)c2c1	1776047391	VIODGTSKAIPNNC-UHFFFAOYSA-N	374.421	4.517	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CN[C@@H]2CC[C@H](CC(=O)O)C2)c1	1776269266	YGZCYPPUGHGHDB-DOTOQJQBSA-N	363.574	4.804	50	20	FJGD	
O=C(NNc1ccccc1Br)c1ccc(Cl)c(Cl)c1	153647739	SQFZEMCPVMTQPL-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(F)c2)c(C)n1[C@@H](C)c1ccccc1	154772589	GSKXZXZAZFEGCI-HNNXBMFYSA-N	351.425	4.610	50	20	FJGD	
CCC(CC)CNC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193199252	VBYAEKVBTWJKNO-UHFFFAOYSA-N	374.375	4.835	50	20	FJGD	
CCCCCC(C)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	252457348	AVRSHBMBQKDFGB-UHFFFAOYSA-N	360.461	4.983	50	20	FJGD	
CC(C)C[C@@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	748807959	VZNDVCMTGDWQBL-FQEVSTJZSA-N	355.462	4.511	50	20	FJGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1	759074720	XBBYFUOYAXYKAR-LREOWRDNSA-N	358.637	4.649	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1	761393715	SWMDUIDOJAPUKW-XFFZJAGNSA-N	371.824	4.943	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC(CCO)CC1	762966258	NIOTUMVMGLMIOZ-UHFFFAOYSA-N	374.375	4.970	50	20	FJGD	
COCCN(CCC#N)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762968639	MDUFBNDASCFDIN-UHFFFAOYSA-N	373.347	4.738	50	20	FJGD	
CC[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)C1CCC(C)CC1	763449673	GFARXSDCFGRBJG-BPCQOVAHSA-N	371.308	4.607	50	20	FJGD	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)CCCC[C@H]1CCSS1	772566462	YJHZYOWXXHPOCX-MSOLQXFVSA-N	367.580	4.500	50	20	FJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)Nc1ccc(F)c(Cl)c1	779751293	HUAPERKCHWFZEU-NVNXTCNLSA-N	351.768	4.573	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1OCC	779753822	YGMJISGTXXRVOA-NTCAYCPXSA-N	370.836	4.683	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)ccc1O	780373981	IRTVJTJPMGXRRT-ZSOIEALJSA-N	361.319	4.600	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1cnc2ccccc2n1	790228172	QLVVJTWDDYYBND-RQZCQDPDSA-N	371.831	4.592	50	20	FJGD	
Cc1cn2c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c(C)nc2s1	797033506	AQOFDPCSMPYQPK-QPEQYQDCSA-N	370.865	4.520	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1)O[C@H](C)C2	797398825	LJSLVUJPWVRGTB-FKZYXTMDSA-N	354.475	4.837	50	20	FJGD	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=C3CCC34CCOCC4)cc2C1	799871573	AOCSFELHMBZYRG-OAHLLOKOSA-N	374.550	4.576	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(CSc2ccccc2)cc1	817009605	RSIQPZAYOGMTSN-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1	915893502	LLSPBWDINQXUDV-GOSISDBHSA-N	365.481	4.512	50	20	FJGD	
O=C(N[C@@H]1CCCc2occc21)NN(Cc1ccccc1)c1ccccc1	916574894	LKIHKROGXQYJPI-HXUWFJFHSA-N	361.445	4.578	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COc1ccccc1C	916612949	ISFTWIWODVEALB-UHFFFAOYSA-N	354.475	4.711	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccc(OC3CCCC3)c2)n1	920387298	KFAVQIMLTRLSJI-XNTDXEJSSA-N	368.458	4.705	50	20	FJGD	
CCc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	3617253	KPRHDOPMBAMEGY-OQLLNIDSSA-N	366.269	4.894	50	20	FJGD	
CC(=O)Nc1ccc(Cl)cc1NC(=O)CCCC[C@H]1CCSS1	58905610	QJWDIBRLGHLIBV-ZDUSSCGKSA-N	372.943	4.951	50	20	FJGD	
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3cccnc3Cl)c2c1	85684509	YEJFWQDGRXNWCX-UHFFFAOYSA-N	366.852	4.534	50	20	FJGD	
O=C(NNc1cccc(F)c1)/C(=C/c1ccc(F)cc1)c1cccs1	154093822	KVSZCNJOPVOCMN-GZTJUZNOSA-N	356.397	4.710	50	20	FJGD	
CC(C)NC(=O)/C(C#N)=C\c1nc(-c2cc(Cl)ccc2Cl)cs1	179068657	KASKOCBYCHPERK-YHYXMXQVSA-N	366.273	4.548	50	20	FJGD	
Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(CCCCl)cc2)c(C)s1	303149189	MIGSMHCJHKMQLI-CYBMUJFWSA-N	371.955	4.576	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl	726119336	XUPVIHYNDLJOFW-UVTDQMKNSA-N	359.832	4.886	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1	731932311	GTKOZEXFYNDFSB-AWEZNQCLSA-N	366.795	4.585	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1	741840062	DVVXGHXKYFYLDG-UKTHLTGXSA-N	362.763	4.530	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc2cccc(F)c2o1	743296693	JPCPFGQCBXLORG-UHFFFAOYSA-N	355.756	4.530	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCCOc2ccccc21	749864340	VXTYQGCGJUUBBN-GOEBONIOSA-N	351.537	4.731	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCCC(C)(C)C#N)c1C	768494724	JMCKQNLIUVMGCM-CPNJWEJPSA-N	355.482	4.685	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccoc1Br	770824738	QWSMFZHFHYHYBY-UHFFFAOYSA-N	357.207	4.525	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1OC	773145161	POBZPCTXEWRVAY-DHDCSXOGSA-N	371.795	4.842	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)nn1C1CCCCC1	776490954	NEVKCGLRIMCPJC-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)c1cccc(C(F)(F)F)c1	780526037	ASPHTLFBKDPXRA-WCIBSUBMSA-N	355.237	4.913	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	794942793	FRSWARSXCPAQSW-CHHVJCJISA-N	373.330	4.810	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	799613091	HOSJIZLHNBQLDV-JOCHJYFZSA-N	374.488	4.677	50	20	FJGD	
CCO[C@@H](C)c1nc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cs1	852524853	PAZJBPXYGSHZAS-GOEBONIOSA-N	370.635	4.837	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCCCO2	915990026	JAHJFZBAYFIODX-NTUHNPAUSA-N	359.834	4.661	50	20	FJGD	
Cn1cc(C(=O)NN=Cc2cc(-c3ccccc3)cs2)c2ccccc21	917541035	JZXVLOKXDVRXSE-UHFFFAOYSA-N	359.454	4.671	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1OC	921138409	JPRFAJXXHRZBOR-AWNIVKPZSA-N	362.212	4.800	50	20	FJGD	
Cn1ncc(Cl)c1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	122020015	QEZVDSACSKVHKV-WDZFZDKYSA-N	361.257	4.915	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1csc(-c2ccco2)n1	132236631	QHLMAAQQQNYVEM-ZDUSSCGKSA-N	368.549	4.733	50	20	FJGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1ccc(Cl)cc1Cl	151960719	MRWPWUKFGBGQHE-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(CSc2ccccc2)cc1	154472697	OTPUNJDONOYIFL-UHFFFAOYSA-N	352.434	4.875	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)cc1	207844697	MDJSLDBBZSVNES-RGEXLXHISA-N	370.456	4.597	50	20	FJGD	
Cc1cccc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)c1	214142761	RRHRGUQKOXUXRL-PETKRDDUSA-N	352.484	4.998	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NN=c3cc[nH]c4ccccc34)sc2c1	730291015	WBYQYYPWVMTCAL-UHFFFAOYSA-N	367.861	4.590	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)CSc1ccc(Cl)cc1	730547562	VQVIWPFIXINVEH-UHFFFAOYSA-N	372.877	4.891	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(F)ccc12	739426018	SASPTPJDCOMOOL-VZUCSPMQSA-N	369.739	4.658	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc2c(c1)COC2	748670351	RYVZXFZPYYIIHU-UHFFFAOYSA-N	352.459	4.667	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	749466667	QGZULIQVAFQXCD-VLHYRRCOSA-N	363.408	4.906	50	20	FJGD	
Cc1cc(N2CCCC2)ccc1NC(=O)NNc1c(F)cccc1Cl	771098716	WJWZZHKQGUCJQQ-UHFFFAOYSA-N	362.836	4.536	50	20	FJGD	
CC(C)c1ccc(-c2noc(COC(=O)/C(C#N)=C\c3ccccc3)n2)cc1	785352665	YCMUPYYWJMYGSE-UNOMPAQXSA-N	373.412	4.510	50	20	FJGD	
O=C(NNc1ccc(Br)cc1F)c1ccc(C2CCC2)cc1	790805046	VSBUKJMJGKBUMG-UHFFFAOYSA-N	363.230	4.613	50	20	FJGD	
C[C@@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn(C)c1	792548317	LISXNQACTDFXAS-SECBINFHSA-N	355.332	4.820	50	20	FJGD	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)c1ccc([N+](=O)[O-])cn1	812245240	OQYJYACJOPTYCJ-FMIVXFBMSA-N	374.381	4.924	50	20	FJGD	
Cc1ccccc1NNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1	817425167	ZZCTYUBTWWLNSS-UHFFFAOYSA-N	360.461	4.731	50	20	FJGD	
CC(=O)c1c(C)cc(C)c(COC(=O)/C(C#N)=C\c2ccc(C)cc2)c1C	913228997	UTAWKXYUMWYKLP-JAIQZWGSSA-N	361.441	4.773	50	20	FJGD	
CCCCCOc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1	1317848045	SCVIXJVOQDAASQ-VKAVYKQESA-N	358.445	4.845	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(C(F)F)c2)c1C	1320847276	HTFRVLWNZYWINW-YBFXNURJSA-N	371.431	4.676	50	20	FJGD	
CC(CCCCCCC(=O)O)=NNC(=O)CC12CC3CC(CC(C3)C1)C2	1776018513	XPMWXEAGBKYSCW-UHFFFAOYSA-N	362.514	4.510	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3ccc(Cl)c(F)c3)nc(O)c2c1C	67006114	JHWAUAGIITZAGX-WZUFQYTHSA-N	359.813	4.870	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](Nc2ccccc2)C1	163976294	VUZOBMYRTJSJBZ-QZTJIDSGSA-N	364.580	4.804	50	20	FJGD	
Cc1ccnc(NNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1	176732259	SQBLWLXIDFDCSL-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3cc4ccccc4s3)[nH]c(=O)c2c1C	176983440	INLCNWVYBZHQLT-JYRVWZFOSA-N	363.467	4.880	50	20	FJGD	
CC1(C)CCCN1C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183501606	WYBUABLAQXGFAH-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(-c3cccnc3)c2)c(C)c1	255020297	FGWNURPUHCAOIR-BKUYFWCQSA-N	353.425	4.911	50	20	FJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc2ccccc2s1	727174475	WXWUQIZXBXIALZ-UHFFFAOYSA-N	369.515	4.656	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(N(C)C)c(F)c2)c1C	727653986	DQHJSUAYKFODLY-GZTJUZNOSA-N	353.441	4.510	50	20	FJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ccc(F)cc3F)sc2c1	733362098	NTQCLONPDZOWAW-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	734275277	WROYGOWMHYWEAI-LJQANCHMSA-N	369.827	4.895	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc(Cl)ccc3[N+](=O)[O-])c[nH]c2c1	739427084	ZVWIXRHLRRQRRP-QPEQYQDCSA-N	365.776	4.828	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(OC(F)F)cc1C	742345874	DKDUCBRLQDYSMD-XNTDXEJSSA-N	353.372	4.856	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC2(CC#N)CC2)c(C)n1C1CCCCC1	744276637	GCOOWBOLTTYPTP-UYRXBGFRSA-N	365.477	4.754	50	20	FJGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1cc(Cl)ccc1Cl	748510246	DFHANQSMPKDKHC-BQYQJAHWSA-N	364.257	4.760	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2C)c(Sc2ccccc2)n1	748562414	OIFTYDCNSLPEPD-UHFFFAOYSA-N	367.449	4.746	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC1CCC(N2CCCCC2)CC1	750856633	WFEGCDCDKHDMCL-ABHNRTSZSA-N	370.628	4.614	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3cccnc3Cl)c(Cl)c12	754480046	JSIRMIQDZAVUFW-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
CCC[C@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	757850128	MSGWORDYZKXHOX-FQEVSTJZSA-N	355.462	4.513	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC=C(F)C1	771755969	BCQGNQSLFYPXOJ-LBPRGKRZSA-N	368.783	4.997	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1Sc1ccccc1	772844795	NPVQDDPYPPOJOX-UHFFFAOYSA-N	364.474	4.508	50	20	FJGD	
N#C/C(=C\c1cc(Br)ccc1OC(F)F)C(=O)C1CCCC1	781556001	SXBMVDLKZKYZJX-KPKJPENVSA-N	370.193	4.717	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1	789820528	FTUSGOMGTZQFCN-UHFFFAOYSA-N	371.318	4.594	50	20	FJGD	
N#C/C(=C\c1ccnc(Cl)c1Cl)C(=O)Nc1ccccc1Cl	791435451	UKYVIAMZLNKYAY-JXMROGBWSA-N	352.608	4.587	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3c(Cl)nc4cc(Cl)ccn34)[nH]c12	794701026	KRADPIAOYUSQSW-YRNVUSSQSA-N	368.227	4.890	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)c(C(F)(F)F)c1	794870359	VCRHVMBJVHAILB-GXDHUFHOSA-N	370.378	4.722	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	794934062	GISQOJIJOXLWPX-PXNMLYILSA-N	361.426	4.584	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12	797077623	WIIXMMJAFKEGET-UKTHLTGXSA-N	356.303	4.856	50	20	FJGD	
Cn1cnc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	800791518	BBXYCGXESZEAPL-ONNFQVAWSA-N	361.257	4.915	50	20	FJGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	806566389	DRZCFXRGOKHRDL-KMKOMSMNSA-N	363.726	4.958	50	20	FJGD	
Cc1ccc2snc(C(=O)NNc3c(Cl)cc(F)cc3Cl)c2c1	815903814	HMDMKVOGJUSZLT-UHFFFAOYSA-N	370.236	4.808	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@H]2CC[C@@H](C1)N2	841178250	BQUCDYJWUZHVNL-NEPJUHHUSA-N	371.375	4.702	50	20	FJGD	
Cc1noc(C)c1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	878640873	MYCOJIOVQAHXNF-ZDUSSCGKSA-N	364.776	4.763	50	20	FJGD	
Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=O)CCC2	915804030	IYZAVAIBEBRFLK-UHFFFAOYSA-N	360.413	4.590	50	20	FJGD	
CC[C@@H](C)C(C)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	916272765	DBJCRTRTQPUVJN-GFCCVEGCSA-N	354.479	4.547	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cnn(Cc2ccccc2)c1	918358150	PLGYEHWMKJDUDC-KRWDZBQOSA-N	361.536	4.584	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	6209786	DDQXAOAYAZOSTM-SDNWHVSQSA-N	360.335	4.650	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccccc2OC(F)F)c1C	7210153	ODIXVJOAFUWUST-LFIBNONCSA-N	358.388	4.906	50	20	FJGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(Cl)c(Cl)c1Cl	60376214	NXYZFZMAPZKLSD-DAFODLJHSA-N	364.059	4.978	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1	63276053	YNBGDGINPYRHSH-WJDWOHSUSA-N	351.475	4.909	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1	210579986	NYQNBVIDWMTVQS-KAMYIIQDSA-N	356.403	4.574	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)c1nnc2n1CCCCC2	255217387	XFVFRIOCCBGQMA-WQLSENKSSA-N	366.774	4.741	50	20	FJGD	
O=C(CCCc1c[nH]c2ccccc12)NNc1cccc(C(F)(F)F)c1	301218406	ORJHGNNRAZSVRN-UHFFFAOYSA-N	361.367	4.653	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(F)ccc2Cl)c1C	728007228	GJBVBIUIYLLBOH-DHDCSXOGSA-N	359.832	4.853	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCC[C@@H]3C)cc2)cc1	729141238	YQJYAGUTJYAEMT-INIZCTEOSA-N	366.461	4.570	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)Cc2cccc(Cl)c2)cc1	729838404	KFKLASLRUCCNKA-LDADJPATSA-N	368.864	4.694	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(Cl)c1OC	730435227	ZZRGWMAPYOCQMO-MDWZMJQESA-N	362.212	4.800	50	20	FJGD	
N#CCCn1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c2ccccc21	733782671	YTFOQRANBHOHIA-GHRIWEEISA-N	365.396	4.669	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Oc2ccccc2)cc1	734552317	PMRYKDXVXGUSJI-UHFFFAOYSA-N	358.319	4.653	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)ccc1OC	749674278	MAPJWNTUEFPRPI-YHZJOHHESA-N	357.450	4.655	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(Cl)c(F)c3)c2c1	751393593	SBRNPSZLNKAQCN-UHFFFAOYSA-N	369.827	4.970	50	20	FJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccccc1Br	759660308	VCRZEISLBZQQJC-LUAWRHEFSA-N	365.658	4.649	50	20	FJGD	
CCCC(=NNC(=O)c1cc(-c2ccccc2OC)[nH]n1)C1CCCCC1	764796814	OHQACHJVKDPDCU-UHFFFAOYSA-N	368.481	4.552	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@H](C)[C@H](C)C3)s2)cc1	767362750	ZBWIUDCLJHIOQB-QWHCGFSZSA-N	371.506	4.548	50	20	FJGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2c(C)cccc2F)s1	775897782	DWPIYHNQTGTDNK-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC(F)F)cc2)cc1	781547762	RMFKIFBMQZMJCM-JLHYYAGUSA-N	360.385	4.556	50	20	FJGD	
CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)Cc1cnn(C)c1	788021016	KPUGIVDTBIQSPP-UHFFFAOYSA-N	373.617	4.964	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(CCl)c2)cc1Cl	799889821	UCNYDPAFHVUIIJ-ZSOIEALJSA-N	361.228	4.633	50	20	FJGD	
COc1ccc(NNC(=O)[C@H](C)c2cccc(Cl)c2)c(C(F)(F)F)c1	816703846	VPEATQDIJJZSSK-SNVBAGLBSA-N	372.774	4.614	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C(=O)NC1CC1	817913792	SPDFIRRGOZPUMM-XFXZXTDPSA-N	362.376	4.619	50	20	FJGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1	817935720	YXIACMHYWNOQGA-JLHYYAGUSA-N	364.392	4.867	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1nc(C2CC2)cs1	843266571	XNEKOBKCTHVAIR-MLPAPPSSSA-N	358.850	4.899	50	20	FJGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)cc1C	846378970	PXOONXRIZQPDGO-VIFPVBQESA-N	374.794	4.592	50	20	FJGD	
Cc1c(OCc2ccccc2)c(=O)ccn1CCO[Si](C)(C)C(C)(C)C	853720735	JBZNFAHTAWQSDY-UHFFFAOYSA-N	373.569	4.758	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	921261153	BKRYIWDZVUSLNY-QPEQYQDCSA-N	361.228	4.856	50	20	FJGD	
O=C(NN=Cc1c(OC(F)F)ccc2ccccc12)c1ccccc1Cl	1115812918	GGLGVTRZWSFMCY-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1csc(-c2ccc3c(c2)OCO3)n1	1318300140	VZOUORIXSYBTLM-NVNXTCNLSA-N	374.421	4.637	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)s2)cc1	1776697486	FXLAWWLKSZWBPF-XTCQQWIJSA-N	354.431	4.505	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	6410996	RGBFZJFVDVDEJW-OVCLIPMQSA-N	369.808	4.719	50	20	FJGD	
O=C(NNC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1	175855042	AZQSRVVUBJGTIL-UHFFFAOYSA-N	373.627	4.505	50	20	FJGD	
O=S(=O)(N[C@H]1CC=CCC1)c1ccc(S(F)(F)(F)(F)F)cc1	181684952	KURYTWNAFRVPQI-JTQLQIEISA-N	363.373	4.731	50	20	FJGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184421304	NAHOHIBXHRTVIA-UHFFFAOYSA-N	361.336	4.543	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc3cccnc23)c1C	214373207	PCGXZTYLDQSGOC-UYRXBGFRSA-N	358.445	4.609	50	20	FJGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1cccc(C(F)(F)F)c1	303456916	KFXZADBXQMUCTK-HNNXBMFYSA-N	354.397	4.719	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc(Br)s1	730436526	QUUXXIMBMIOUMM-YFHOEESVSA-N	352.640	4.954	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1Cl	741472734	XHCYWVDDMNQXCS-OQLLNIDSSA-N	351.793	4.771	50	20	FJGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(F)c(F)c3F)c2c1	751389018	HNOQTWJDFFZRBU-UHFFFAOYSA-N	371.362	4.595	50	20	FJGD	
Cc1csc(-c2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2)n1	751878089	YVFCTLQQQPCWOM-YBEGLDIGSA-N	363.417	4.803	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccn12	762603995	MHQPHBWROIUTNX-SDNWHVSQSA-N	364.836	4.657	50	20	FJGD	
N#C/C=C/CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1	763302010	RACFUQVRWKIXLM-SNAWJCMRSA-N	366.877	4.683	50	20	FJGD	
COc1cc(C(=O)NN=C[C@H](C)c2cccc(Cl)c2)ccc1OC(C)C	763354681	NBMRDJFKRYCQFY-AWEZNQCLSA-N	374.868	4.655	50	20	FJGD	
CCCc1c(C(=O)NNc2ccccc2Cl)cnn1-c1cccc(C)c1	768093252	HSGVHRUQSXRUPU-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	773172325	QLYRIOSQPHXXPR-ORSLHTORSA-N	354.312	4.609	50	20	FJGD	
CC[C@H](C)Oc1cc(CNC(=O)CCCC[C@H]2CCSS2)ccn1	777431869	XBCOCJRTJMBMNC-HOCLYGCPSA-N	368.568	4.589	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)c1	789996304	NHFXNYAAJAIVIV-UHFFFAOYSA-N	369.371	4.526	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2c(Cl)nc3cc(Cl)ccn23)ccc1[N+](=O)[O-]	794712158	NJKOHLQUGATJBR-KPKJPENVSA-N	373.199	4.922	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc(COc2ccc(C)cc2)n1	794875252	SKGNCMRMKYXVIL-GDNBJRDFSA-N	354.475	4.943	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[C@H]1CCCOC1	794884705	RCPWTHHXGKMAMF-QTNMRXCUSA-N	357.862	4.971	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C)n(C2CCCCC2)c1C	805381622	SHPBYZQKKHXPMF-UHFFFAOYSA-N	370.453	4.584	50	20	FJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	811691042	ITGFSJITTMELHQ-VIKUFGDRSA-N	366.371	4.878	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)[C@H]1CCCSC1	812861342	QNFRZZCXQFOAAJ-TVQRCGJNSA-N	369.861	4.988	50	20	FJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F	817050512	ROGVZGWKOYGGSQ-GHRIWEEISA-N	368.408	4.662	50	20	FJGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(-c3ccccc3)cs2)cc1	917519807	WIXUFTLEQSAREE-WQRHYEAKSA-N	374.465	4.647	50	20	FJGD	
C[C@H]1C(=O)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	930765739	UUGIFKKOSZCRFD-VIFPVBQESA-N	358.332	4.929	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c(C)c1	1318957451	KPMSUHGKYJJXMM-CQSZACIVSA-N	360.527	4.753	50	20	FJGD	
CCc1ccc(-c2nc(C(=O)NNc3ccc4ccccc4n3)cs2)cc1	1320108193	BHJUMXFURXDKDJ-UHFFFAOYSA-N	374.469	4.678	50	20	FJGD	
CCC[C@@H](CC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776828029	WXCKEEYJXJEIIT-INIZCTEOSA-N	351.563	4.804	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)c1nc(-c2ccncc2)cs1	98125480	FRNXJCPUIBKYFN-LCYFTJDESA-N	363.833	4.570	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)c1ccc(Cl)cc1F	179606849	QSNPFXPSGZJAEG-IZZDOVSWSA-N	351.711	4.870	50	20	FJGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1	179616458	YJKKAKFCSGGEOC-ACLQVGRQSA-N	354.768	4.560	50	20	FJGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1ccc(C(C)(C)C)cc1	181143052	FLZSEKAMYIXFHB-UHFFFAOYSA-N	360.461	4.506	50	20	FJGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c2ccccc12	207895451	YUVOXMMTRTUCJR-GHXNOFRVSA-N	351.749	4.519	50	20	FJGD	
CCC[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccccn1	729612835	JTGXTTQEBOHHOW-OAHLLOKOSA-N	353.253	4.556	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H](Sc1cc(F)ccc1F)c1ccccc1	732265486	FXUMHDHJBSOLRD-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CCCC[C@@H]1CCSS1	735662663	HBRXNWNVSZTSAJ-BFYDXBDKSA-N	359.601	4.658	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(OCC)c1	741468004	BZEVXSCVODETNX-GULXKOIASA-N	369.383	4.939	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC3(CC#N)CC3)c2C)cc1	744276017	HMAXTYBPIAYHHL-DEDYPNTBSA-N	373.456	4.547	50	20	FJGD	
Cc1ccc(C)c(SCC(=O)NNc2cccc(C(F)(F)F)c2)c1	755947977	WUPZCAHITOJROI-UHFFFAOYSA-N	354.397	4.558	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1	759074723	XBBYFUOYAXYKAR-XFSBKJJWSA-N	358.637	4.649	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1F	763609153	OBEANTWASGRTHH-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
CCSCc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1	777476800	PSBJPUPYXMPNJL-UHFFFAOYSA-N	351.475	4.553	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccccc3n2CC(F)(F)F)c1	787460301	HMSODYCSMIERDY-UHFFFAOYSA-N	361.367	4.577	50	20	FJGD	
N#C/C(=C/c1ccnc(Cl)c1Cl)c1nc(-c2ccncc2)cs1	791434875	NZLLPJSFXVNJNY-GHXNOFRVSA-N	359.241	4.971	50	20	FJGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)c1ccc2ncccc2c1	794883932	FBBZIIYBYPMWIY-WJDWOHSUSA-N	368.314	4.923	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cscc2C(F)(F)F)cc1	811626427	IHJOMOYFEINJNB-XFFZJAGNSA-N	366.364	4.711	50	20	FJGD	
N#C/C(=C/c1ccccc1Br)c1cc(C(F)(F)F)ccn1	812248259	IAQYBKGZNYDDLC-XFFZJAGNSA-N	353.141	4.927	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2ncc(C3CC3)o2)CC1	844344757	HPQXTFCGSLPPEC-UHFFFAOYSA-N	350.579	4.786	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C1(c2cccc(Cl)c2)CCC1	874338970	ZOUDRYZORPAVRL-UHFFFAOYSA-N	368.786	4.924	50	20	FJGD	
O=C(NN=Cc1cc(F)ccc1F)c1ccc(-c2ccc(F)cc2)s1	915954160	OLOWKFOWMNTUFF-UHFFFAOYSA-N	360.360	4.596	50	20	FJGD	
O=C(N[C@H]1CCCc2occc21)NN(Cc1ccccc1)c1ccccc1	916574892	LKIHKROGXQYJPI-FQEVSTJZSA-N	361.445	4.578	50	20	FJGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)C1CCCCCC1	917077701	QUNFQQGRMZCCTJ-UHFFFAOYSA-N	355.462	4.655	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nccn1Cc1ccccc1	918337995	IQTSCUKFVBDAJC-MRXNPFEDSA-N	361.536	4.584	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	921138461	MEFHCCOACQOOJS-OVCLIPMQSA-N	356.208	4.795	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1	1248568758	QKVKFODUSLLNRO-UHFFFAOYSA-N	353.853	4.813	50	20	FJGD	
Cc1cc([C@@H](C)NC(=O)NN(Cc2ccccc2)c2ccccc2)c(C)o1	1320299407	PYXHWTPVLUOPRT-QGZVFWFLSA-N	363.461	4.878	50	20	FJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2c1	160149960	PSGJMBKLQIEFPD-BOPFTXTBSA-N	360.413	4.912	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2Oc2cccnc2)cc1	728318552	MYWRVDVDPKUONW-DEDYPNTBSA-N	370.408	4.833	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1	731931469	INGLSBBBYYMUNA-GOSISDBHSA-N	367.449	4.593	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F)c1ccccc1	733204985	GLHSEBZVVKYIHJ-CDCQXCROSA-N	362.326	4.629	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1c(C)nn(C(C)C)c1C	741766082	IOWNKVBQYNDDDK-UHFFFAOYSA-N	361.877	4.588	50	20	FJGD	
O=C(NN=Cc1ccc(Br)cc1Cl)c1cccc(Cl)c1	743426533	RSOYSLQXYUWOAA-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(O)c2C)c1C	747947163	PARDXZLLHXMXND-XDHOZWIPSA-N	365.477	4.773	50	20	FJGD	
O=C(NNc1cccc(F)c1)c1ccc(COc2ccc(Cl)cc2)cc1	748089436	XQUAJAMCUJSHBP-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1scnc1Cl	748667997	VKPDIBOWGXPXCQ-UHFFFAOYSA-N	351.884	4.747	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	752925603	DNORRNYPGSPYTI-LFIBNONCSA-N	363.417	4.803	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(F)cc(C(F)(F)F)c1	755829072	NRYABFXDSMGKQB-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(C[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1)c1ccco1	758698414	ODJCLJAYMBKVPN-CABCVRRESA-N	367.536	4.558	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccccc3F)cs2)cc1	767915776	IDUYDRSTVIQORH-UVTDQMKNSA-N	364.401	4.748	50	20	FJGD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	775823594	WJSGPKVAACCTGD-LBTNJELSSA-N	371.543	4.732	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)ccc1OC	783687722	LQCQABQKKLXJOP-UKTHLTGXSA-N	361.850	4.989	50	20	FJGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cc(Cl)cc(Cl)c1	791738978	CCDGTDMIKMACGR-UHFFFAOYSA-N	355.269	4.616	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C/c1c(OC(F)F)ccc2ccccc12	797343031	OTDDEEYSKGZGOF-NTCAYCPXSA-N	358.388	4.655	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(OC(F)F)cc2)sc2cc(F)ccc12	807121147	RKTMFUTUZNMFMW-UHFFFAOYSA-N	366.364	4.707	50	20	FJGD	
Cc1csc(NC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1C#N	809004718	YGOGKBUBKBDMKQ-IDUWFGFVSA-N	366.490	4.548	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc(Br)c1	812769917	XFFIUPIKMSAFNA-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)c1ccc(Cl)cc1Cl	834933708	QCXGKDIBKQNLGL-UHFFFAOYSA-N	369.292	4.981	50	20	FJGD	
CC[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@@H]1N	841190271	OEPOSEKEVBIYJN-MFKMUULPSA-N	373.391	4.935	50	20	FJGD	
C[C@@H](Oc1ccccc1F)c1nnc([C@@H](Br)C(C)(C)C)o1	1118138495	UYPMQLFQAYOCLL-BXKDBHETSA-N	357.223	4.831	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	4460562	BWKBUUGXSNIAOD-QINSGFPZSA-N	362.360	4.640	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(C)c1O	7164625	YEJOHNVXFCEVTB-MDWZMJQESA-N	361.228	4.862	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccccc1[N+](=O)[O-]	175634782	XGXCAXDTQLKMNC-UHFFFAOYSA-N	355.419	4.545	50	20	FJGD	
O=C(NNc1ccccn1)Nc1cccc(S(F)(F)(F)(F)F)c1	184408011	BIPPZGBSFFCJKJ-UHFFFAOYSA-N	354.304	4.888	50	20	FJGD	
CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	186058989	BFUUTPVVIATPLS-LLVKDONJSA-N	372.359	4.541	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)c3cnc4ccccc4n3)cs2)c1	191362101	SKBHCZGKTWOSAY-OQLLNIDSSA-N	370.437	4.826	50	20	FJGD	
CC(C)(C)c1ccc(/C=C(/C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	209652064	QNLCUOYLBGQFRU-SSZFMOIBSA-N	370.460	4.559	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727800112	MNPGDQYJOYONFE-OLZOCXBDSA-N	355.652	4.894	50	20	FJGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1ccnc2cc(Cl)ccc12	729514753	MZCMFBMMPSUZCW-CYBMUJFWSA-N	371.893	4.653	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1Cl	741466925	CLLHMWFYRWGBSP-WUXMJOGZSA-N	354.768	4.759	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741840576	ZTWNTFPOMNWTRD-SDNWHVSQSA-N	350.349	4.516	50	20	FJGD	
COc1cc2c(cc1NC(=O)NNc1ccc(C#N)cc1)oc1ccccc12	747831541	QVGSOSKMNMUESB-UHFFFAOYSA-N	372.384	4.615	50	20	FJGD	
CCN(C[C@@H](C)C#N)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	751336663	KHTJZBVVPSPWMH-DORSJAEJSA-N	366.509	4.525	50	20	FJGD	
N#C/C(=C/c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccncn1	758917683	XZMSFRGZDCHUDO-YHYXMXQVSA-N	359.241	4.971	50	20	FJGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)c1c[nH]c2cc(F)ccc12	760212246	VYLNUVRSNOZGIV-SDQBBNPISA-N	351.406	4.821	50	20	FJGD	
N#C/C(=C\c1ccc2ccc(Br)cc2n1)C(=O)c1ccsc1	771520752	MNTZORIRVVVMOC-NTUHNPAUSA-N	369.243	4.849	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)c1cc2sc3ccccc3c2s1	772831385	SEAKWGOUBIIOIX-UHFFFAOYSA-N	368.487	4.786	50	20	FJGD	
CCC[C@H]1C[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCO1	779705223	BYGNSUVRCZGXEP-KOLCDFICSA-N	365.688	4.685	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3c(Cl)nc4cc(Cl)ccn34)[nH]c12	794701024	KRADPIAOYUSQSW-XFFZJAGNSA-N	368.227	4.890	50	20	FJGD	
CCCN(N=Cc1cccc(OCc2ccccn2)c1)C(=O)OC(C)(C)C	794992860	LMKLVBBYOLGNBT-UHFFFAOYSA-N	369.465	4.642	50	20	FJGD	
CCCN(N=Cc1ccc(N2CCCCC2)s1)C(=O)OC(C)(C)C	794996650	KVFPWXVUARENOT-UHFFFAOYSA-N	351.516	4.719	50	20	FJGD	
N#C/C(=C\c1ccnc(Cl)c1Cl)C(=O)c1c[nH]c2cc(F)ccc12	798231954	MSMAXOCCTJBYKL-BJMVGYQFSA-N	360.175	4.799	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCCCl)cc2)c(C)c1	811686140	OKJLLPPIKSANRP-QGOAFFKASA-N	368.864	4.857	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1cc(C(F)(F)F)ccn1	812248234	HQQWOPWVVLTYCO-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
O=C(NN=Cc1cccc(O)c1Cl)c1ccc(-c2ccc(F)cc2)s1	814770072	PDBSYXXLVWHKMI-UHFFFAOYSA-N	374.824	4.677	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)c1C	871597574	RAVBZHMWDNQXEH-UYRXBGFRSA-N	363.461	4.653	50	20	FJGD	
CC(C)c1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1	916359620	GYRLIJAXBNDGJX-UHFFFAOYSA-N	362.429	4.746	50	20	FJGD	
Cc1ccccc1C(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916362167	SQYHMDCKVNHKRB-UHFFFAOYSA-N	353.425	4.907	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2ccccc2OC(F)F)c(C)c1	916410683	HWJFKNVBOPQHCK-AWEZNQCLSA-N	363.408	4.601	50	20	FJGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)c1nc2ccccc2n1C(F)F	1317798312	QWTHSCVGODESFJ-QINSGFPZSA-N	361.355	4.681	50	20	FJGD	
Cc1nc(C(=O)NNc2ccc(C)c(Cl)c2)c(-c2ccccc2)s1	1319905467	ZJZRLFSFWDRZND-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
O=C(COC(=O)CCCC[C@@H]1CCSS1)Nc1cccc(Cl)c1	6399036	BVAMHBPJFDGGNB-CQSZACIVSA-N	373.927	4.536	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H]2CCc3ccccc32)c1C	206097289	RPICCFICMBHSRR-FGGAIWKESA-N	361.489	4.568	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1OC(F)F	255013986	NCZWPEPBTTVYRQ-SDQBBNPISA-N	350.390	4.941	50	20	FJGD	
N#C/C(=C/c1ccc(OC(F)F)c(F)c1)C(=O)c1ccc(Cl)s1	588424728	IQHZWHTWNVFPPY-UITAMQMPSA-N	357.740	4.932	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1csc(-c2ccsc2)n1)c1ccccc1	731931115	XKYMTOYYXOCDGR-MRXNPFEDSA-N	355.488	4.516	50	20	FJGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1cccc(-c2ccncc2)c1	741463992	JVYKVGAWKAHYIJ-UHFFFAOYSA-N	357.457	4.567	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1	745801857	IJBKXEXUUYOQNW-MRXNPFEDSA-N	365.264	4.556	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2csc(-c3ccccc3Cl)n2)c1	748417352	WAEHNEAELNWVNG-UHFFFAOYSA-N	357.866	4.837	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccnc2SCC2CCCCC2)cc1	749200345	AWYZFTUPGCEPQH-UHFFFAOYSA-N	355.507	4.819	50	20	FJGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc(C#N)c(Cl)c1	753303120	PXOJPDNDVZJCLM-FPAJZGIOSA-N	369.852	4.545	50	20	FJGD	
C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnn(C)c1	753926273	XDDWRWYORUYQAT-SECBINFHSA-N	370.347	4.960	50	20	FJGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1nc(C(F)(F)F)cs1	754256335	CXPNZTIHADIERX-MNOVXSKESA-N	369.412	4.595	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/C=C/c3ccc(F)cc3F)nc(O)c2c1C	758017528	OONSMTVPQWJZPJ-HJSZHNSDSA-N	369.396	4.912	50	20	FJGD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCCC[C@H]1CCSS1	770879080	AQUYBFKTSMQILV-OWQGQXMQSA-N	371.543	4.732	50	20	FJGD	
CCOCc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)ccc1OC	773144819	NKOREVKAHDQIDO-OVCLIPMQSA-N	373.811	4.814	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773159190	FMPFIQIXSOKMHI-VZUCSPMQSA-N	355.237	4.913	50	20	FJGD	
O=C(NNc1ccccn1)c1ccc(Oc2cccc(Cl)c2Cl)cc1	777470570	XRZHJBKYSDLOTP-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(Oc2ccncc2)c1	781086550	IYKJTKSBMPEBQH-OAHLLOKOSA-N	363.255	4.622	50	20	FJGD	
Cc1ccc(CCC(=O)NNc2cccc(C(F)(F)F)c2)cc1Cl	789951939	JKMYDQWDMCSVPN-UHFFFAOYSA-N	356.775	4.743	50	20	FJGD	
CCCN(N=C(C)c1ccc(SC)c(OC)c1)C(=O)OC(C)(C)C	794993502	YBBCBLAUPCFBMK-UHFFFAOYSA-N	352.500	4.788	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cnc(-c2ccccc2F)s1	799756827	JVHDNHFDAQZUGO-UHFFFAOYSA-N	355.438	4.577	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)c1ccc([N+](=O)[O-])cn1	812244740	MTZKKIBYPPJPCE-DHZHZOJOSA-N	353.284	4.592	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)cc2nc(C)c(C)nc12	812768177	IVWUYVHRHFWWBC-UHFFFAOYSA-N	366.440	4.574	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@H]2NCC[C@@H]2C1	841179503	OOQYYZJQCMCJHV-MFKMUULPSA-N	371.375	4.560	50	20	FJGD	
Cc1ccc(F)cc1NNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C	855369923	GKZAEORSOHYJGT-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC3CCCC3)c2)c1	917516638	ZTLAMCYOLAVIQB-ATVHPVEESA-N	362.429	4.562	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	7157775	QKBRBNOQVFCTJC-XNTDXEJSSA-N	355.235	4.612	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2F)c(C)n1CC(C)C	7167417	PWNZUSDZRVMSIO-LZYBPNLTSA-N	357.404	4.585	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3c(F)cccc3F)sc2C)cc1	118513107	UGMZEHVXDNKMSM-UHFFFAOYSA-N	374.412	4.767	50	20	FJGD	
Cc1cc(C(=O)NNc2ccncc2Cl)c(C)n1[C@H](C)c1ccccc1	154868371	DXKHCIIQAMQLQJ-CQSZACIVSA-N	368.868	4.520	50	20	FJGD	
O=C(NCCCn1cccn1)Nc1cccc(S(F)(F)(F)(F)F)c1	184421081	RLNIUWDWYQYOAN-UHFFFAOYSA-N	370.347	4.752	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCn2cncc2C1	377742634	HRBPSEUKNHSWJB-UHFFFAOYSA-N	368.331	4.588	50	20	FJGD	
C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	753928468	ABUQYIVNTZNAAR-WDEREUQCSA-N	374.375	4.969	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)c(F)c1	757920034	PBAMTAAILMYUOL-SDQBBNPISA-N	369.339	4.927	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)c1	760137242	UGNSQNOOMFTDIA-NLKGSNSHSA-N	370.390	4.726	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1OCC(F)F	762241525	KDHXJUFGZVOOPN-GFCCVEGCSA-N	361.479	4.983	50	20	FJGD	
CC[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1	764278577	SZUOOVDNVPETGO-CYBMUJFWSA-N	358.310	4.621	50	20	FJGD	
CC[C@H](C)N(C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)[C@H](C)CC	767517449	VNZAEOHNWODPKI-NQBYOSBNSA-N	373.541	4.645	50	20	FJGD	
COc1ccccc1Oc1ccc(NC(=O)NNc2ccccc2)cc1F	769977494	PYBLSULCKGLKDF-UHFFFAOYSA-N	367.380	4.775	50	20	FJGD	
Cc1cc2occ(C(=O)NNc3ccccc3Br)c2cc1C	771421741	HSIOXRQCYHNNSB-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1OC	772179831	RXDIULZMVFIZAO-GZTJUZNOSA-N	353.393	4.803	50	20	FJGD	
N#C/C(C(=O)c1ccc(F)c(C(F)(F)F)c1)=C1/COc2ccc(F)cc21	773162034	SUJJGGJSIXGYNU-OUKQBFOZSA-N	365.257	4.536	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@H]1C[C@@H]1c1cccc2ccccc12	775265146	VDPZTTGZBKPOJP-SJORKVTESA-N	371.362	4.500	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)c1ccccc1OC(F)F	775638784	IHWKPYDJHQHUHJ-XYOKQWHBSA-N	360.385	4.802	50	20	FJGD	
CC1CCN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)CC1	777844401	JEAFFVQGGBEZEF-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)CCCCCl	780798281	NAGDDWDHVWRPMD-INIZCTEOSA-N	365.926	4.695	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccc(C(C)(C)C)cc1	780803343	GAYVJJREJNNQGD-UHFFFAOYSA-N	361.489	4.835	50	20	FJGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3cc(Cl)cc(Cl)c3)cn2c1	789127342	JAJMHBROASSGTN-MLPAPPSSSA-N	356.212	4.739	50	20	FJGD	
CCOc1ccc(-c2nc(CC)c(C(=O)NNc3ccccc3)s2)cc1	792259622	FDXIRUUGOAROQG-UHFFFAOYSA-N	367.474	4.528	50	20	FJGD	
CCCN(N=C(C)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C	794992760	HMQKPZHGZVUTSY-UHFFFAOYSA-N	355.822	4.619	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(F)(F)F)cc1Cl	799757928	PFNVAQOJAMLNNZ-UHFFFAOYSA-N	356.775	4.987	50	20	FJGD	
C[C@H](Nc1ccccc1NS(=O)(=O)CCCCCl)c1ccccc1	799928503	BLUGXBBQMDUTIK-HNNXBMFYSA-N	366.914	4.620	50	20	FJGD	
C/C(N)=C(\C#N)c1nc(-c2cc(C)n(CCc3cccs3)c2C)cs1	806552858	AHESKKNMWRSIMS-LGMDPLHJSA-N	368.531	4.746	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c(C)c1OC	806554011	HCQPNERMOIRDJG-ZSOIEALJSA-N	359.784	4.595	50	20	FJGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)c1ccc2ccccc2c1	816486654	MNSGPZKEENTFHJ-CYBMUJFWSA-N	368.868	4.653	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)cc1	837054586	UQQFUPTXJHALSF-UHFFFAOYSA-N	371.456	4.691	50	20	FJGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	916140680	HBOLJWSUVURZKK-VBKFSLOCSA-N	359.385	4.629	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3ccc4ncccc4c3)nc(O)c2c1C	916152222	RUALCUDIIVFTCC-OQLLNIDSSA-N	358.426	4.626	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1	916599100	FPEDUIJRWWDDLI-NVNXTCNLSA-N	374.223	4.635	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3c(C)cccc3s2)cc1	916650520	UXXHDSRKYONJHI-PTNGSMBKSA-N	363.442	4.549	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(Br)ccc2F)c1	918712715	BBMGXHVAQDFEFA-NVNXTCNLSA-N	358.210	4.995	50	20	FJGD	
O=C(CCl)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F	1116434362	SVJCDYVORUQBAW-UHFFFAOYSA-N	351.699	4.537	50	20	FJGD	
CC(C)n1ncc2c1[C@H](NC(=O)CCCC[C@@H]1CCSS1)CCC2	1321183317	BZIPWWLMJWPBFV-HZPDHXFCSA-N	367.584	4.672	50	20	FJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)c1c[nH]c2ccccc12	45110739	UNYLRRAJMYNLPG-VZUCSPMQSA-N	357.232	4.782	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(Oc2ccccc2)CC1	55763444	SXISDQKPBWPGSZ-GOSISDBHSA-N	365.564	4.771	50	20	FJGD	
Cc1c(-c2ccccc2)oc2c(C(=O)NNc3ccccc3)cccc2c1=O	70716213	SWEPYWUBBKDGLU-UHFFFAOYSA-N	370.408	4.525	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C)n(C(C)(C)C)n1	175631447	ZVSVCWWRDOWQMQ-UHFFFAOYSA-N	370.522	4.897	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCOCc1ccccc1	175638352	SBTZMJCCNUEEPM-UHFFFAOYSA-N	368.502	4.930	50	20	FJGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3c(Cl)cccc3Cl)n2c1	178767738	HWXARDQGTJBXSX-KPKJPENVSA-N	356.212	4.739	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1sccc1Br	178875890	CZSIRFRUIYLLLK-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
Cc1ccnc(NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)c1	188021946	SLAJWQCOQYNZFV-UHFFFAOYSA-N	374.356	4.848	50	20	FJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)C(=O)NCc1ccccc1	209225030	LBAKSPFCUFTJFB-GDNBJRDFSA-N	362.376	4.522	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(CSC(F)F)o2)c1C	211575470	JOTSKHQUEOBICT-JYRVWZFOSA-N	362.401	4.898	50	20	FJGD	
CC[C@@H](C)N(CCO)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	287081799	JPDUEZIXBFMNNQ-SNVBAGLBSA-N	362.364	4.969	50	20	FJGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccc(Cl)s1	588424619	VRFNFNMMILIBAE-YFHOEESVSA-N	357.847	4.710	50	20	FJGD	
CCc1ccc(C(=O)NNC(=O)c2sc3cc(C)ccc3c2Cl)cc1	729167314	DKALBFAUNYGTIS-UHFFFAOYSA-N	372.877	4.500	50	20	FJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1	746510255	KLEUSVODRNWXRB-SEYXRHQNSA-N	358.850	4.874	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2c(Cl)cccc2s1	746704745	IDXKKOKELJPRFM-UHFFFAOYSA-N	356.756	4.729	50	20	FJGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc(C#N)c(Cl)c1	753303117	PXOJPDNDVZJCLM-CFRMROPGSA-N	369.852	4.545	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc[nH]3)c2C)c1	760723759	BIWOUTWSMLWSDM-IZQLPPHKSA-N	372.472	4.515	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl)c1ccccc1	761485158	FBHWRKOBZXQAQV-YVGNARHYSA-N	360.244	4.563	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H](CCO)C1CC1	762967513	CGCLLKFCRFMYBU-GFCCVEGCSA-N	360.348	4.627	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1C#N	766492883	ZBTDHUYAXKHXQP-OQLLNIDSSA-N	372.453	4.520	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)c1	767094388	UIBSQKIWYRMJBL-RDJZCZTQSA-N	350.478	4.733	50	20	FJGD	
N#Cc1ccccc1Oc1ccc(NC(=O)NNc2ccccc2F)cc1	769977404	DGZYKXOMJKAGBG-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
COc1ccccc1-c1cccc(NC(=O)NNc2ccc(F)cc2)c1	770030805	NECVCXGZVQCHOI-UHFFFAOYSA-N	351.381	4.650	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	773143884	GBXJXZGGTOEBDD-QPEQYQDCSA-N	374.755	4.576	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1c(F)cccc1F	775544228	DEADFOCRFJIHBA-UHFFFAOYSA-N	351.422	4.534	50	20	FJGD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	775823591	WJSGPKVAACCTGD-GLJUWKHASA-N	371.543	4.732	50	20	FJGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1ccc(O)c(Cl)c1	776770086	MWMZFCURXDDQCF-UHFFFAOYSA-N	358.800	4.538	50	20	FJGD	
Cc1cc2cc(C(=O)NNc3ccccc3OC(F)(F)F)oc2cc1C	779203800	KJABPASHPIVFAU-UHFFFAOYSA-N	364.323	4.705	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)c3ccc(Cl)s3)c2C)no1	783687513	LENILXVPTVXHDN-ZSOIEALJSA-N	371.849	4.895	50	20	FJGD	
CCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cnn1C(CC)CC	790804318	MZTCCTGLWOZJHA-UHFFFAOYSA-N	368.403	4.582	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Br)c(F)c2)c(C)cc1Cl	793838970	OBSZEIOBYJTZPI-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ncc(CN(C)C)s3)n2)cc1	794700070	VINVGPLXAJFTOR-OVCLIPMQSA-N	366.515	4.701	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1OC(C)C	794886120	ZVTSARKYQQTULX-CPNJWEJPSA-N	372.424	4.820	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)cccc1Br	794928612	JIVBVGQWYDIFPR-UHFFFAOYSA-N	361.283	4.946	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)nc1	797785797	UKOREZZTCNCBOD-XMHGGMMESA-N	368.440	4.704	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	813139490	GYAYCJDHFRWNCP-QUCCMNQESA-N	367.493	4.665	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1)c1ccccc1	917516339	SWOHIWBLGYWUDI-TYSUYXETSA-N	360.457	4.792	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3ccccn3)o2)c(C)n1CCC(C)C	1322139968	IZBUBZSUICTPDI-LDADJPATSA-N	361.449	4.660	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1	171880321	ADQLJGMNJCUEBH-RIYZIHGNSA-N	355.419	4.631	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)c(OC(F)F)c(C)c1	211442751	UYQUPMYKTFGDDB-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccncc2)cc1	588429976	RWWADRNAJSXKLF-SSZFMOIBSA-N	359.360	4.559	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)c1nc2ccccc2n1C(F)F	588559890	RTUSWNJISKXNSZ-FLIBITNWSA-N	373.746	4.847	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc2c3c([nH]c12)CCCC3	727758761	JBJPCXYPYAOVCK-UHFFFAOYSA-N	373.378	4.822	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c(SC)cc1OC	741165527	NLCAYTNIJHGLFQ-CXUHLZMHSA-N	367.470	4.832	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3occc3C)n2)c1	742350215	SXTPMMSBWDCCMT-OQLLNIDSSA-N	363.442	4.874	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(N(C)C)cc1	748672837	MUGZRGFIQBGGOS-UHFFFAOYSA-N	353.491	4.703	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCSC2(CCCCC2)C1	750856565	JXWOHIPJPQTQSW-HNNXBMFYSA-N	359.626	4.979	50	20	FJGD	
COc1cc2ccccc2cc1C(=O)NNc1cc(Cl)ccc1Cl	752813319	UFOCNBTYNGFWIZ-UHFFFAOYSA-N	361.228	4.912	50	20	FJGD	
Cc1cc(=O)c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)c[nH]1	762721588	DEJLKZBNXCIUCC-UHFFFAOYSA-N	354.300	4.593	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C#N)CC(C)C)c(C)n1C1CCCCC1	768139663	GIVNYAVHBJNTEO-CBXNMNPBSA-N	366.509	4.572	50	20	FJGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144189	INNSCAFNIUMNOY-LCYFTJDESA-N	350.315	4.846	50	20	FJGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3ccc(F)c(C(F)(F)F)c3)cnc12	773161349	QTJXEZJIGKQGKF-QPEQYQDCSA-N	373.309	4.591	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2ccc(Br)c(Cl)c2)ncn1	773175414	DRCLBBDNJWNMNB-ONNFQVAWSA-N	366.671	4.679	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774559413	PZCVLOWVRKZIEQ-RIYZIHGNSA-N	360.316	4.577	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1c[nH]c2cc(Cl)ccc12	777872435	USSYSVUIVKVYHA-VZUCSPMQSA-N	369.739	4.658	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cnn(Cc4ccccc4)c3Cl)[nH]c12	789145152	ZBQJZTXVBXWYCV-MHWRWJLKSA-N	373.847	4.834	50	20	FJGD	
CCC[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccn1	790289032	BWYBRSGWXNSNIN-HNNXBMFYSA-N	353.253	4.556	50	20	FJGD	
CCc1c(NC(=O)NNc2ccc3ccccc3n2)cnn1C(CC)CC	792499605	QLQVJBPLHTXDJW-UHFFFAOYSA-N	366.469	4.503	50	20	FJGD	
CCC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H](O)c1ccccc1	792575093	PTQWWNAPOLKNAI-JENIJYKNSA-N	367.580	4.719	50	20	FJGD	
N#Cc1cnccc1/C=C/c1ccc(OCCBr)c(Cl)c1	794716372	ZUMSJYQTKSRUJI-HNQUOIGGSA-N	363.642	4.551	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1	798988876	DIPSGKHGBFFIMG-CYBMUJFWSA-N	373.378	4.809	50	20	FJGD	
CN(C)CC1(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	799225994	SMBFYPIOFUEKNZ-UHFFFAOYSA-N	373.391	4.950	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)c1ccc(Br)s1	799758117	XTPHOVRVGQHFLU-NSHDSACASA-N	367.312	4.628	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c(-c2cnn(C)c2)c1	809146479	PNRZMDIVLQDNCM-RGVLZGJSSA-N	355.441	4.802	50	20	FJGD	
COc1c(Br)cccc1/C=C(/C#N)c1nc(C2CC2)cs1	843263744	DUQYNDCEQGABNE-GHXNOFRVSA-N	361.264	4.856	50	20	FJGD	
CC(C)C(C)(C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	846075694	USHKGRMDPROTRW-UHFFFAOYSA-N	374.375	4.833	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1	912596743	WGFDMTYNGSZIQC-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CC(F)(F)F)c(C)n1C1CCCCC1	915174120	QMHQUTWQXZKVKA-YBEGLDIGSA-N	367.415	4.538	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)c(C)n1CC(F)(F)F	1323206414	PVGWRIRLGGQGNP-ZDLGFXPLSA-N	372.390	4.946	50	20	FJGD	
COCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1C	60462688	QBWWMZMZYWZYKL-XDHOZWIPSA-N	363.486	4.939	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1C[C@@H]1c1c(F)cccc1F	116222895	LBRZEHGVQSGGEP-XUJVJEKNSA-N	357.491	4.651	50	20	FJGD	
CC(C)C[C@@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181776386	BVUQVBHEMGQPPL-NSHDSACASA-N	362.364	4.873	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccc1	727264518	UZFINQDHTAKROW-XYOKQWHBSA-N	350.727	4.904	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2C)s1	729820422	QNVFYKPFPMIRLK-XNTDXEJSSA-N	365.433	4.788	50	20	FJGD	
COCCOc1cccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	730147930	AEAUOYXKNOAPQN-NTEUORMPSA-N	354.406	4.525	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	730151607	OFZGNIYLJSTCIE-WJDWOHSUSA-N	364.401	4.691	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccccc1OC1CCC1	748018515	DCZBVLOQCRYKNM-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1	749200721	RKNWNUMOLAIZIH-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C(C)CC3CCCC3)s2)cc1	752723706	MKUXTXZEHYMXOA-UHFFFAOYSA-N	371.506	4.692	50	20	FJGD	
Cc1nccn1CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752975543	UYWBCUQLEHHEHO-UHFFFAOYSA-N	370.347	4.671	50	20	FJGD	
CN1CCC[C@@H]1CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752990528	LMEFTSSJCVEXOQ-LLVKDONJSA-N	359.364	4.560	50	20	FJGD	
O=C(NNc1ccc(F)cc1)Nc1cccc(CSc2ccccn2)c1	769994899	YHKGNVDQWUHHCQ-UHFFFAOYSA-N	368.437	4.662	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(F)c(Cl)c1	773153484	GEODXGSHXPEPHP-WZUFQYTHSA-N	365.147	4.831	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3ccc(Cl)cc3F)sc2c1	788691634	ZOKHNZRVZQXBLR-UXBLZVDNSA-N	372.808	4.887	50	20	FJGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2ccc(COc3ccccc3)o2)C1	794477399	AQMVYNWWTVTMRG-MRXNPFEDSA-N	354.450	4.791	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc2ccc(Br)cc2[nH]1	799757825	LRMGXHLJFQCPTG-UHFFFAOYSA-N	372.266	4.558	50	20	FJGD	
C[C@@H]1CCc2c(C(=O)NNc3ccnc4cc(Cl)ccc34)csc2C1	812017664	HICAVTDJCXHZOU-LLVKDONJSA-N	371.893	4.831	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	812239719	BWLWTSFGERHVPU-YRNVUSSQSA-N	365.191	4.687	50	20	FJGD	
C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	839321097	IYIRYFMEMHBGSW-SNVBAGLBSA-N	369.359	4.895	50	20	FJGD	
CC[C@H](NC[C@@H](CBr)C1CC1)c1nc(C(F)(F)F)cs1	859247993	HIICEIFKTNYCBF-ZJUUUORDSA-N	371.266	4.624	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1csc(Nc2ccccc2)n1	866630207	YWNAALRHTUDGLS-WJDWOHSUSA-N	361.426	4.537	50	20	FJGD	
C[C@H](Cc1cccs1)NC(=O)NN(Cc1ccccc1)c1ccccc1	916509322	DLJMGKUCXANYNS-QGZVFWFLSA-N	365.502	4.600	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccnc1	918713232	GOQYSWZOJSFTGU-LDADJPATSA-N	370.456	4.847	50	20	FJGD	
CCCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	29581588	BFOVGIDPVCZKIN-XMHGGMMESA-N	365.477	4.849	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc(Br)c2)c(C)c1	45110655	WZNKNTYBLNWPBM-AWNIVKPZSA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)c1c(Cl)cccc1Cl	123488260	AQTHFBKQSSHFPY-GXDHUFHOSA-N	372.255	4.778	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cc2)cccc1-c1ccccn1	123657009	DBBOEYXNIDNWNS-UHFFFAOYSA-N	371.362	4.833	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3cc(C)ccc3C)c2C(C)C)cc1	158956149	KMNBQLJFJYQOLR-UHFFFAOYSA-N	362.477	4.678	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1cc(C2CC2)nc2ccc(Cl)cc12	177829567	XAWIYTQVGNOQNF-UHFFFAOYSA-N	355.800	4.662	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	180428695	PGCWCLLPDNTDQF-RAXLEYEMSA-N	360.385	4.556	50	20	FJGD	
C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1C	183553191	NJHDNZWFLOWVIN-VHSXEESVSA-N	372.359	4.539	50	20	FJGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2ccc(C(F)(F)F)cc2)s1	254885697	MROLBJYALXSBQD-HJWRWDBZSA-N	369.412	4.616	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1OCc1ccc(F)cc1	726120725	YLAYSLBXAYDYGN-WOJGMQOQSA-N	367.420	4.935	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)c1nc3cc(F)ccc3s1)O[C@H](C)C2	730148030	ASKPCVPIHVBJFB-MQOXYSQQSA-N	366.417	4.832	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1c[nH]cc1-c1ccc(Cl)s1	734554554	FMCGMXRTTJPITM-UHFFFAOYSA-N	371.771	4.571	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc2cc[nH]c12	742465768	CNNUPRNVUUGBGX-UHFFFAOYSA-N	354.624	4.885	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(F)c(F)c1F)c1cccc(C(F)(F)F)c1	743332706	WCBNEWSMSKOFPR-CLFYSBASSA-N	374.284	4.669	50	20	FJGD	
Cc1cc(C)c(NNC(=O)CCc2cc(Br)cs2)c(C)c1	743762430	VUCNRJCNNWBBNC-UHFFFAOYSA-N	367.312	4.512	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(CSc2ccccc2)cc1	743816110	JVFQKQWHHFMDGY-UHFFFAOYSA-N	369.877	4.784	50	20	FJGD	
COc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3C)sc2C)cc1	748571913	SWBNCLMDSQCKRS-UHFFFAOYSA-N	370.449	4.937	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	749466660	QGZULIQVAFQXCD-QDECMSLZSA-N	363.408	4.906	50	20	FJGD	
O=C(NNc1cccnc1Cl)[C@@H](Sc1ccccc1)c1ccccc1	754475718	SSHFNHJPSGQKPL-KRWDZBQOSA-N	369.877	4.712	50	20	FJGD	
Cc1cc(Br)ccc1/C=C(/C#N)c1nc2ccccc2n1C	759115714	GALNBIFLVLTQKS-UVTDQMKNSA-N	352.235	4.708	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)Nc1ccc(F)c(Cl)c1	760211139	NCSCPUZMUSBGKS-IZZDOVSWSA-N	361.829	4.749	50	20	FJGD	
COc1ccc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	762517998	HIZNJOLJDKMYCB-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
COc1ccc2oc(C=NNC(=O)c3ccc(Cl)cc3Cl)cc2c1	763355885	ZTEGRSOGJUVEED-UHFFFAOYSA-N	363.200	4.512	50	20	FJGD	
Cc1cc(Br)cc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	768310856	HPMLNOYWEATGLD-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccc(F)c(Cl)c1	773155636	VLHJEZFQMBBASO-PXNMLYILSA-N	363.779	4.726	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl	788540122	IAIPWLNZXDFTTD-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
O=C(NN=CCC1CCOCC1)Nc1c(Cl)cc(Cl)cc1Cl	788721371	FGGLBZXXUAGDPY-UHFFFAOYSA-N	364.660	4.571	50	20	FJGD	
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)NC1CCCCC1	790101458	OAKZJOFMAGMILV-TWGQIWQCSA-N	373.703	4.520	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)c1nc(-c2ccc(C#N)cc2)cs1	811688303	NHIJDJZWFHZFKT-PXNMLYILSA-N	356.385	4.757	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](c2ccncc2)C1	816607915	JHKFVJNVUGUJNG-SJORKVTESA-N	350.553	4.502	50	20	FJGD	
CN(C)CC(C)(C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	836511388	DTQSYNNEMBIZCM-UHFFFAOYSA-N	361.380	4.806	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)cc1	918864221	MWPJPPUJQNIBLP-DGGAMASNSA-N	359.784	4.699	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c(C)c1	1318957450	KPMSUHGKYJJXMM-AWEZNQCLSA-N	360.527	4.753	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3)n2)cc1	5720620	ZCSPYADAAOUGTQ-GDNBJRDFSA-N	363.398	4.791	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(Oc2ccccc2)c1	114112559	UXPFPFGJDUJJOB-UHFFFAOYSA-N	369.852	4.783	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C2CCCC2)C2CC2)c(C)n1CC(C)C	116848825	WLLFDMNCKAXVLE-UNOMPAQXSA-N	353.510	4.602	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	171148743	YHMCSFQXDGRESM-LDADJPATSA-N	356.381	4.905	50	20	FJGD	
CCN(C(C)C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186825528	WJXRJRFCZGYELR-UHFFFAOYSA-N	353.378	4.763	50	20	FJGD	
C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(CCCl)cc1	320345067	PAJZLGOWNFWFJC-CYBMUJFWSA-N	372.317	4.503	50	20	FJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1cccc(C(F)(F)F)c1	727758994	NRWKGIPHKXTMRO-UHFFFAOYSA-N	372.774	4.903	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)c1nc2cc(F)ccc2s1	730148945	QKWWEYLUKXJMKU-QPEQYQDCSA-N	364.380	4.824	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cnc(-c3ccc(C)cc3)s2)c1	734307365	XOFPZJPUOOOZTL-GZTJUZNOSA-N	360.438	4.917	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1	739899203	GBHDCHJOTCFMQZ-ZSOIEALJSA-N	366.764	4.671	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(C)c(C)s3)o2)cc1	741473330	GWENECNDLZOHDQ-MHWRWJLKSA-N	364.426	4.871	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(F)cc1C)c1ccc(C(F)(F)F)cc1	748549316	KGLPLLAYJZUCAO-ZHACJKMWSA-N	352.331	4.700	50	20	FJGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	750795649	JVZMLYXWRYMAAU-TYJAPOHBSA-N	374.419	4.620	50	20	FJGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1cccc(OC(F)F)c1	753922431	UHLFMFZRRRKYHM-UHFFFAOYSA-N	364.779	4.605	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2ccccc2)[nH]1	754149710	LNDWDZXCXZIPNY-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccc(Cl)s1	754154070	UIVQDJHTEHFJIU-ZETCQYMHSA-N	366.767	4.806	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	756783729	LHWZPEQZYMQGIZ-ZROIWOOFSA-N	352.340	4.868	50	20	FJGD	
COc1cc(/C(C#N)=C/c2ccc(C(F)(F)F)s2)ccc1[N+](=O)[O-]	761479857	OUBNWDQRAFEPME-UXBLZVDNSA-N	354.309	4.748	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(-c2cccc(F)c2)no1	763611356	ZPIOGDOUHXSNOP-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1c(Cl)cccc1Cl	766777921	HXMNOVLHIUIVQQ-QBFSEMIESA-N	368.223	4.969	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CCSc2ccccc21	768008191	WJGGDBJIZMGCNL-LLVKDONJSA-N	371.264	4.855	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)c(O)c(C)c2C)c1C	774823788	JHRCBPCPDGCSSH-YBFXNURJSA-N	365.477	4.691	50	20	FJGD	
Cc1nc2ccc(NC(=O)NNc3c(Cl)cccc3Cl)cc2o1	775474803	BHSYBNUQMCMAPL-UHFFFAOYSA-N	351.193	4.592	50	20	FJGD	
O=C(NNc1ccccn1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1	777474689	SXSPKUKOUXKIHG-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1)c1ccccc1	787177110	FYUJZUASQZFMIT-HJDVLLJCSA-N	373.481	4.985	50	20	FJGD	
CCC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H](O)c1ccccc1	792575095	PTQWWNAPOLKNAI-ZIFCJYIRSA-N	367.580	4.719	50	20	FJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)Nc1ccccc1C(F)(F)F	794688385	ZIPKLTATLUHODN-GXDHUFHOSA-N	356.303	4.997	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)c(Cl)c1	797153934	SIGKEVGGBMZDQZ-DHDCSXOGSA-N	351.793	4.771	50	20	FJGD	
N#C/C(=C\c1cccc(Br)c1)c1cc(C(F)(F)F)ccn1	812247916	AISVRQQNVLCDNM-IZZDOVSWSA-N	353.141	4.927	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(Br)cc1C(F)(F)F	834444519	GCACFKFJNKPMHF-UITAMQMPSA-N	364.136	4.692	50	20	FJGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1ccc(SC2CCCC2)cc1	914695491	XUUCPDALXXOYGL-UHFFFAOYSA-N	373.547	4.569	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2F)cc(Cl)c1OC	8202023	XSKYOGACYFXDHR-MDWZMJQESA-N	359.784	4.676	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1	23218533	QKKZMERIDCMEBN-CPNJWEJPSA-N	365.429	4.524	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(Br)ccc1Cl	30611317	MWDFHZYGISTQIB-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	63278478	WAYBIUHPEAXXGS-IZZDOVSWSA-N	352.825	4.632	50	20	FJGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	63874260	PPDPAEBZLBMKIV-PDGQHHTCSA-N	361.397	4.638	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(OC(F)(F)F)c1	76106296	RDOFUYOQILPSFI-DHDCSXOGSA-N	360.335	4.748	50	20	FJGD	
O=C(NNc1ccnc2ccccc12)c1ccc(COc2ccccc2)cc1	106924222	YENVQNHVBPSBIH-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1OC	131110882	OYDXATYQCHDFKL-ZDLGFXPLSA-N	365.429	4.509	50	20	FJGD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183489266	RDSHBTMXYMNMLF-UWVGGRQHSA-N	374.375	4.833	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1cc(Cl)ccc1Cl	209915475	NEUPAFABFLGJIL-UXBLZVDNSA-N	353.155	4.817	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	726119477	ZJKUAWWBLNCMPL-UYRXBGFRSA-N	370.456	4.847	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F	726429222	GJVFLPXQOABAQD-NJQKBMNKSA-N	358.182	4.573	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCSCC2)c(C)n1C1CCCCC1	749818034	MKHXQRUGFAXTOR-QGOAFFKASA-N	371.550	4.529	50	20	FJGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3cc4ccccc4o3)s2)cc1	749818222	SPVRQVILIHOLBU-UHFFFAOYSA-N	361.426	4.629	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1	751054349	WCXBQDACOXHFDS-WJDWOHSUSA-N	373.412	4.650	50	20	FJGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1cc(Cl)ccc1Cl	752808469	UQJPGSGALCSFJR-NSHDSACASA-N	353.249	4.639	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(F)c4cccnc34)n2)cc1	759119299	XVBDVPBYFIPDGS-WJDWOHSUSA-N	356.360	4.797	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)c1nc(-c2ccccc2)no1	787170665	ZXKYTFSRLDGRFV-AIXGLBGOSA-N	358.357	4.655	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ncsc1-c1ccccc1	791717119	QDVOGMFJAYWTCE-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)[nH]c(C)c1C(C)=O	791718479	QQPZRUMIKFIKRW-UHFFFAOYSA-N	368.264	4.542	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cn1	812245864	ZLTNWMNQMBEAMM-FMIVXFBMSA-N	351.749	4.967	50	20	FJGD	
O=C(NN=C1CC2(CC2)C1)c1ccc(COc2ccc(Cl)cc2)cc1	814726815	CZZNXKAFSWDMAY-UHFFFAOYSA-N	354.837	4.579	50	20	FJGD	
CCC(N)(CC)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190536	QSKFZYQCPSQPNO-UHFFFAOYSA-N	361.380	4.983	50	20	FJGD	
C[C@@]1(CNC(=O)c2c(Cl)cc(Cl)cc2Cl)C[C@H]1Br	857686635	BRIXLTUGLBHOKS-SKDRFNHKSA-N	371.489	4.550	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	913187409	CNJXGKYGOZUVMZ-UHFFFAOYSA-N	369.852	4.824	50	20	FJGD	
COc1ccc(CCC(C)=NNC(=O)c2cc3c(s2)CCCCC3)cc1	916369627	IFTKWVXVWMRCMG-UHFFFAOYSA-N	370.518	4.764	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1	916549790	JJXFKZQHQZOICS-UHFFFAOYSA-N	371.893	4.766	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1nnc2n1CCCCC2	8517165	KCYOLPIJJAUCML-HKWRFOASSA-N	370.456	4.648	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1[nH]c2ccc(Cl)cc2c1Cl	156606657	XTMLRXJDADMJNC-UHFFFAOYSA-N	356.159	4.510	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COCc1ccccc1	175628548	NXFLDTINPIJBRR-UHFFFAOYSA-N	354.475	4.540	50	20	FJGD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)CC(C)C	726120357	POGQOROVZLRNMJ-DHDCSXOGSA-N	359.832	4.555	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc(C)c1OC(F)F	741471992	DFOMBTUHICKWOZ-ZSOIEALJSA-N	354.360	4.549	50	20	FJGD	
Cc1cccc2c(CCNC(=O)CCCC[C@@H]3CCSS3)c[nH]c12	741704160	CHSZJNVGJJRCGA-MRXNPFEDSA-N	362.564	4.849	50	20	FJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(Cl)c(F)c1	746697052	HXUDNZNIXFPQFE-UHFFFAOYSA-N	357.212	4.677	50	20	FJGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)c1cc2ccccc2o1	753710350	WWFPLOWQBGYRRS-UHFFFAOYSA-N	366.726	4.869	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1csc(-c2cccs2)n1	766751284	VEDCVAFLDVFWHF-NSHDSACASA-N	374.325	4.724	50	20	FJGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1c[nH]c2cc(Cl)ccc12	766777914	HUOXWNJDULMKTA-GXDHUFHOSA-N	372.815	4.797	50	20	FJGD	
Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cc(Cl)ccc1Cl	768182969	WWGCXEXYMKWXOU-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
CC(C)Cn1ccc2c(C(=O)NNc3ccc(C#N)c(Cl)c3)cccc21	772550445	WMJXGNMFUIZQSB-UHFFFAOYSA-N	366.852	4.579	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(OCc2ccccc2)cc1	777462440	SFZCSPVWPATKSD-UHFFFAOYSA-N	369.424	4.571	50	20	FJGD	
CCC[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779209179	IWKJKBLHWMYZMK-CQSZACIVSA-N	352.356	4.612	50	20	FJGD	
CSSCCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	790880165	IMWOUZORTQPOOS-CQSZACIVSA-N	371.531	4.597	50	20	FJGD	
O=C(COCc1ccccn1)Nc1ccc(S(F)(F)(F)(F)F)cc1	808715603	WFXXEVMRXUINDX-UHFFFAOYSA-N	368.327	4.894	50	20	FJGD	
O=C1CCCc2cc(NCc3ccc(OCCCCl)cc3)ccc2N1	811486255	AARGEVWDYVQLLO-UHFFFAOYSA-N	358.869	4.581	50	20	FJGD	
CCOc1ccc(NNC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)cc1	817895891	IMBQTEDPRHUHNJ-UHFFFAOYSA-N	366.383	4.525	50	20	FJGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccccc2Oc2ccccc2)CCO1	846460295	AURGSVDBKQQCMM-FUHWJXTLSA-N	354.450	4.517	50	20	FJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccc(Cl)nc1	915978417	FRHZHNJJTLBCFN-UHFFFAOYSA-N	355.825	4.588	50	20	FJGD	
Cc1cc(OC(=O)CCCCc2nc3ccccc3s2)ccc1[N+](=O)[O-]	917534973	UIJBIIKXEQHUGW-UHFFFAOYSA-N	370.430	4.831	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2OC)CC1	1776779104	RQZRQHAVBDGHLL-XDHOZWIPSA-N	369.461	4.866	50	20	FJGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1	25682308	NYQNBVIDWMTVQS-SDNWHVSQSA-N	356.403	4.574	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OC(C)C	59133410	AQTZUUYCCLAIFS-WQRHYEAKSA-N	364.445	4.645	50	20	FJGD	
Cc1cccc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1	74292065	CIYKDYGGGKWGIT-UHFFFAOYSA-N	368.868	4.714	50	20	FJGD	
CCC/C=C\NNC(=O)c1ccccc1O	160197800	DRWPQSPQDMXAFK-AWEZNQCLSA-N	220.272	1.940	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1OC	191355729	NXSPQTRJVBPASE-SFQUDFHCSA-N	359.429	4.881	50	20	FJGD	
O=C(NCCOCC(F)F)Nc1ccc(S(F)(F)(F)(F)F)cc1	192262242	WOSNZVYJDFRCQL-UHFFFAOYSA-N	370.290	4.747	50	20	FJGD	
CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	193527854	UAGNGACMOYPEPA-JTQLQIEISA-N	372.359	4.541	50	20	FJGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)c1ccccc1[N+](=O)[O-]	225721867	YENFICGRYAKZDX-QWHCGFSZSA-N	355.481	4.913	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(OC[C@H]3CCCO3)cc2)n1	255030356	HYTMPTSMRGLBAC-GANRHZMWSA-N	354.475	4.888	50	20	FJGD	
O=C(CCCSc1ccc(Cl)cc1)NNc1ccc(F)c(F)c1F	728717509	YYAWUIDJTBYJGM-UHFFFAOYSA-N	374.815	4.773	50	20	FJGD	
Cc1ccccc1C(=O)NNc1ccc(Br)cc1C(F)(F)F	731477749	NRWMQSTWCPDPDF-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(Br)ccc3F)[nH]c12	735620119	UOUDOCOUIGABBK-KPKJPENVSA-N	356.198	4.837	50	20	FJGD	
COc1ccc(NNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1	746882614	FKVACLHDAFUVAQ-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)NNc2cccc(F)c2)cc1F	748089095	BKXKUYQBNAHECV-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
CCc1ccc(-c2nc(CC(=O)NNc3ccc(F)cc3C)cs2)cc1	748551267	FNJAJDQAUWYYJH-UHFFFAOYSA-N	369.465	4.506	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(C)ccn3)c3ccccc3n2)cc1	755847603	XFSPDFZAFGOQHD-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1ccc(Cl)cc1Cl	767718627	WDFZDLAUQIAHAL-OQFOIZHKSA-N	371.145	4.956	50	20	FJGD	
O=C(NNc1ccccc1F)Nc1ccc(C(F)(F)C(F)(F)F)cc1	770027563	VPNADKHPRKZQHG-UHFFFAOYSA-N	363.261	4.628	50	20	FJGD	
Cc1nc(-c2ccc(NC(=O)NNc3c(F)cccc3F)cc2)cs1	775467322	FEXDFSAQYQTANN-UHFFFAOYSA-N	360.389	4.545	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	779221387	UWFUAAHVUIFDAD-RFRKOGIWSA-N	354.837	4.523	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)c1c[nH]c2cc(F)ccc12	782887214	JBOGDFRZVKEKNA-WLRTZDKTSA-N	366.779	4.685	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc3ccccc3c2)cc1	787154389	JIQNVDGIKZTYHB-YIRPMMGJSA-N	356.425	4.633	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(C3=CCCC3)cc2)cc1C(F)(F)F	810466281	FDQKODVWXHNNOH-UHFFFAOYSA-N	371.362	4.901	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C[C@@]1(C)CO	822460018	CSPMLASLERUPAT-HZMBPMFUSA-N	374.375	4.826	50	20	FJGD	
O=C(NC[C@H](O)C1CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	836499069	YPQXBHQAFMRZLT-LBPRGKRZSA-N	360.348	4.627	50	20	FJGD	
C[C@H](CCCCN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841188952	BYJPXQHWHMLDSL-SNVBAGLBSA-N	361.380	4.983	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2)c1ccccc1	920241261	PSQHSFXQSLEDET-ZHTGWBIJSA-N	360.457	4.575	50	20	FJGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1321700086	DKWAMINVBQQIBA-XYOKQWHBSA-N	356.230	4.553	50	20	FJGD	
Cc1nn(CCCl)c(C)c1-c1nnc(-c2ccc(Cl)cc2Cl)o1	1348894617	ZDIHYIRNICHZPB-UHFFFAOYSA-N	371.655	4.763	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c(Cl)nc21	27542579	BLBHHAIQULLKHK-NTUHNPAUSA-N	362.824	4.606	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccccc3)o2)cc1	102958859	RSTTZAUZEIREJL-RGEXLXHISA-N	371.392	4.913	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1cccc(C(F)(F)F)c1	175218897	XULVWTFEXIQWFF-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CN(CC1CCC1)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183510049	DTQIJAMUAWLTJK-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1-n1cncn1	255477239	MQCYQIHNUXTKEM-ZDLGFXPLSA-N	369.453	4.763	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cccc(C)c1C	731155658	OGDXALXAXIOOOJ-SXGWCWSVSA-N	354.837	4.820	50	20	FJGD	
O=C(NNc1ccccc1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	732575138	SRMHHLQHOBVWRN-VXKWHMMOSA-N	358.441	4.512	50	20	FJGD	
O=C(CCCc1ccccc1)NN[C@H](Cc1ccccc1)c1ccccc1	732919304	ANQZSIUXQMSZCY-HSZRJFAPSA-N	358.485	4.614	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1sc2cc(F)ccc2c1Cl	735698752	UPINBPQDZPPECI-UHFFFAOYSA-N	356.756	4.729	50	20	FJGD	
Cc1cccc2nc([C@H](C#N)C(=O)CCCC[C@H]3CCSS3)[nH]c12	735791150	UZBBSKMLRDYDMO-UONOGXRCSA-N	359.520	4.762	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc2c(s1)CCCCCC2	740095944	QFSMBBZTMLSHDH-UHFFFAOYSA-N	369.412	4.578	50	20	FJGD	
CCCCn1nc(C)c(C=NNC(=O)c2cccc3ccccc23)c1Cl	741462716	MNDUQFWQAFIQBP-UHFFFAOYSA-N	368.868	4.562	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)cc1Cl	747695095	GYMPKIASVSTJCI-BYUCVARHSA-N	356.784	4.590	50	20	FJGD	
O=C(CC1CCCC1)NN=Cc1sc(Oc2ccccc2)nc1Cl	749446463	FSLGXAIHPYWZCI-UHFFFAOYSA-N	363.870	4.619	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(F)ccc2Br)c(C)c1	761178165	ZCQQZFOXIQLPIX-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
O=C(CCc1c[nH]c2ccccc12)NNc1c(Cl)cc(F)cc1Cl	767395483	GKHGFUNEQPAYID-UHFFFAOYSA-N	366.223	4.690	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC	772177624	XLVSNAZPWHQAJV-HFVKVNHUSA-N	371.383	4.941	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2cccc(Cl)c2o1	777476923	UUMRPPWUDVUHIS-UHFFFAOYSA-N	351.793	4.700	50	20	FJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	777872249	OTEAVCOOSLZQLS-VIZOYTHASA-N	364.342	4.905	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(-c2nccs2)cc1	781071181	SUFMECCIMMHWGO-LBPRGKRZSA-N	353.285	4.558	50	20	FJGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1	787150810	GEUONNJQIIPAPD-TWQQJCIXSA-N	372.424	4.740	50	20	FJGD	
CCCCCCCOc1ccc(/C=C(/C#N)C(=O)C2CCOCC2)cc1	794957076	CBXORGRDUCOYQG-SILNSSARSA-N	355.478	4.938	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1	808779736	ZMWDZRQLFVXVOJ-PMEBHBLGSA-N	374.362	4.523	50	20	FJGD	
NC[C@H]1CC[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179554	PZBWKNWMOUXGAM-GXSJLCMTSA-N	359.364	4.593	50	20	FJGD	
C[C@@H](N)[C@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841180045	WKVPGSDFSIUZLO-MNOVXSKESA-N	373.391	4.935	50	20	FJGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(c2ccccc2Cl)CCC1	845857137	SXFKWOQKXZSIHN-UHFFFAOYSA-N	366.795	4.506	50	20	FJGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNc2ccc(C(F)(F)F)cn2)c1	857488712	KNJTUPSIJIPARR-ZDUSSCGKSA-N	365.399	4.546	50	20	FJGD	
Cc1ccc(Nc2nc(Cl)c(C=NNC(=O)c3ccccc3)s2)cc1	916248975	WOIHQINCXPCVRR-UHFFFAOYSA-N	370.865	4.612	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(C(F)(F)F)cc1	916274055	XTFPRMUQFNYARI-UHFFFAOYSA-N	372.799	4.601	50	20	FJGD	
N#Cc1ccnc(/C=C\c2ccc(OCCBr)c(Cl)c2)c1	1322874828	CGQXAVJUBRYBLQ-IWQZZHSRSA-N	363.642	4.551	50	20	FJGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776384191	WYRHMPDGACFAGL-NTUHNPAUSA-N	367.355	4.658	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1)C(=O)c1c[nH]c2ccccc12	23217970	IGMGTKFLYQGQHV-UKTHLTGXSA-N	351.203	4.720	50	20	FJGD	
COc1ccc2nc(NC(=O)CCCC[C@H]3CCSS3)sc2c1	25402949	ILWJYODRDYCLBE-LBPRGKRZSA-N	368.549	4.958	50	20	FJGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	114114316	PJGLZLLPFXPCLJ-UHFFFAOYSA-N	365.864	4.562	50	20	FJGD	
COc1ccc(CCC(C)=NNC(=O)c2c(Cl)cccc2Cl)cc1	727781493	OOOSAXRINYGTHD-UHFFFAOYSA-N	365.260	4.741	50	20	FJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cc(OC)ccc1Br	728431657	XJOGLIKBXIMUMA-GFCCVEGCSA-N	367.287	4.534	50	20	FJGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1cccc(C(F)(F)F)c1	740085502	LBVDVBIMHDFCNB-UHFFFAOYSA-N	367.758	4.526	50	20	FJGD	
COc1cc(Cl)c(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1Cl	753901052	UCEZEQMOIMTHDZ-WZUFQYTHSA-N	359.216	4.646	50	20	FJGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)c1c[nH]c2cc(F)ccc12	761386264	PWXPKEXICHBSQL-YHYXMXQVSA-N	365.364	4.846	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)c1c[nH]c2cc(F)ccc12	761476930	KSJFITBXJIGDAO-YHYXMXQVSA-N	360.175	4.799	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCC(F)(F)CC2)c1C	761906734	FGVNCPNHUMGFQB-SFQUDFHCSA-N	363.452	4.506	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Br)s2)ccc1C	772171029	BHKCSTMZAZZCNC-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NNc1ccccn1	779046760	FAYZVTZKFNVARW-MRXNPFEDSA-N	362.433	4.679	50	20	FJGD	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)CCCC[C@H]1CCSS1	779085463	MDBZSDRNPODHNK-ROUUACIJSA-N	367.580	4.500	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	780803665	MRPLHSCKGTWHQX-UHFFFAOYSA-N	369.446	4.864	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc2cccnc12	783707943	ZBBSBNONWCQGPO-CXUHLZMHSA-N	355.372	4.954	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl	790181423	UTPBZORBIPJGRH-UHFFFAOYSA-N	368.820	4.898	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccccc1Oc1ccncc1	801176344	VGORGEBUDQPLSS-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
Cc1ccccc1NNC(=O)C[C@H](C)c1ccc(F)c(Br)c1	812457954	SGCMSZJSFFEIRJ-LBPRGKRZSA-N	365.246	4.534	50	20	FJGD	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=C1CC[C@@H]1C1CC1	814760326	JNGUKYSPLMRLJG-CYBMUJFWSA-N	359.882	4.557	50	20	FJGD	
Cn1nc2c(c1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)CCC2	904287407	XQNQRQXGAUOZRU-UHFFFAOYSA-N	367.343	4.819	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cs2)cc1	918712838	GDIRLEZNVYDHEO-BKAYVGFPSA-N	373.481	4.903	50	20	FJGD	
N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)C(=O)c1ccc(F)cc1	7119023	HETLPXQTZDFIMP-FOWTUZBSSA-N	373.412	4.992	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2ccccc2c(Cl)n1	178994022	GQCWCBQRUNHIMU-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1ccc(Br)s1	740765534	FGOVEGATGGVLGN-FMIVXFBMSA-N	369.243	4.849	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nc(C)n2ccccc12	748668268	YLJOWYVFWZLKJP-UHFFFAOYSA-N	364.474	4.593	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H](CO)CC1CC1	752983985	GKXJRLPTVDUFFL-NSHDSACASA-N	360.348	4.627	50	20	FJGD	
CN(N=Cc1cccc(OCc2ccc(F)cc2)c1)C(=O)OC(C)(C)C	766698664	SREPVBITBLWGOS-UHFFFAOYSA-N	358.413	4.606	50	20	FJGD	
Cn1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(-c2cccs2)n1	769552802	YFEOEYMUKDJHLH-XFFZJAGNSA-N	366.446	4.962	50	20	FJGD	
C[C@H](CBr)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1	770668511	NXRGCNMOSXOABR-DYVFJYSZSA-N	367.718	4.639	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1O	773155639	VOZZCYPXMAHRPA-NVNXTCNLSA-N	371.795	4.712	50	20	FJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)c3ccccc3OC(F)F)oc12	775638753	HGZOOUKQCYBZBV-JLHYYAGUSA-N	369.323	4.833	50	20	FJGD	
CCCC(CC)=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	776183424	MXLABPABHQVQNA-UHFFFAOYSA-N	354.479	4.691	50	20	FJGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1c(Cl)cccc1Cl	777872849	YYXWRWRZEBDMGL-UXBLZVDNSA-N	365.147	4.831	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCCOc2c(F)cccc21	778059666	XCGMNOIKJKPZIQ-BBRMVZONSA-N	369.527	4.870	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ncsc2-c2ccccc2)cc1	783701672	VGRSMXMBXNSNBS-UHFFFAOYSA-N	351.475	4.865	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccccc2OC(C)(C)C)ccc1Cl	788606941	ZFZLQPOPUJDDSQ-UHFFFAOYSA-N	363.845	4.675	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)C(=O)NC1CCCCC1	789126965	JGNVKIDBKOHIAX-UVTDQMKNSA-N	371.893	4.819	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2ccccc2Oc2cccc(C)c2)c1	799707267	QOHMORCUBJWJGG-UHFFFAOYSA-N	366.392	4.692	50	20	FJGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)C(=O)c1ccccc1F	799892136	WXXUZGXOGHNOLQ-CLFYSBASSA-N	366.136	4.656	50	20	FJGD	
Cc1c(C(=O)/C=C\c2ccc(OCCCCl)cc2)cnn1C(C)(C)C	811690781	HQPSZWMAVNWMOZ-FLIBITNWSA-N	360.885	4.850	50	20	FJGD	
Cc1cccc(Br)c1C(=O)NNc1ccc(Cl)cc1Cl	813494073	WFIBIWBEEKWMHM-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1	817921505	ZXJLWGAOMKYHQU-UHFFFAOYSA-N	358.747	4.514	50	20	FJGD	
C[C@@H]1C[C@@H](CN)CN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179742	RNCYOVXOFBLFAK-ZJUUUORDSA-N	359.364	4.545	50	20	FJGD	
NC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179984	VKOAZXQXFKJBRN-ZWNOBZJWSA-N	373.391	4.983	50	20	FJGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1	845008291	OGYVWPLSMFHCMZ-CQSZACIVSA-N	372.778	4.531	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)COC(c2ccccc2)c2ccccc2)c1	916549873	SBPKBVBVELFMEN-UHFFFAOYSA-N	360.457	4.553	50	20	FJGD	
N#C/C(=C\c1ccc(C2CCCC2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129180	UNLRFHNXXUBKDN-CPNJWEJPSA-N	360.413	4.588	50	20	FJGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	39553181	RNFZEBGNSHQRBC-OWBHPGMISA-N	374.893	4.518	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1ccc(OC)cc1	175637286	JPEYQUVSCJSJKS-UHFFFAOYSA-N	368.502	4.964	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cnc3ccc(Br)cn23)n1	176939671	UKBOJHZOGZEBKH-VZUCSPMQSA-N	373.279	4.741	50	20	FJGD	
CC(C)n1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1	732713371	AHGIGZVMCOVLDN-PDGQHHTCSA-N	372.428	4.802	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	741467803	CTMSWZLBPJRTQP-JYRVWZFOSA-N	361.228	4.856	50	20	FJGD	
COc1cccc(-c2nc(/C=C(\C#N)c3nc(C)c(C)s3)cs2)c1	741473088	FMGKKQLINWLFFJ-VGOFMYFVSA-N	353.472	4.956	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c1	743764453	JDTOBENMHSJECX-UHFFFAOYSA-N	368.408	4.680	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCOc1cccnc1	748669369	GYAYIDDBTOONIO-UHFFFAOYSA-N	369.490	4.577	50	20	FJGD	
CC[C@@H]1CCCC1=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	758359818	RXISPRWXQAWPLS-OAHLLOKOSA-N	358.445	4.593	50	20	FJGD	
COc1ccc2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])c(OC)c3)ccc2c1	766779115	NRXCCFRITLPKRR-ZDLGFXPLSA-N	360.369	4.829	50	20	FJGD	
CCN(C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCC1	773675931	VIIVYXQPPOURNC-UHFFFAOYSA-N	372.359	4.684	50	20	FJGD	
COCCC1(C=NNC(=O)c2c(Cl)cccc2Cl)CCCCC1	780226267	ZKQIFGGTKCYASW-UHFFFAOYSA-N	357.281	4.696	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c2ccccn12	783713867	BXYWUJSTKPZBPA-FMIVXFBMSA-N	355.850	4.962	50	20	FJGD	
CC[C@@](C)(NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(=O)OC	794463435	SUCXFOBZAMGCHS-HXUWFJFHSA-N	365.590	4.640	50	20	FJGD	
COC(=O)C[C@@H](C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	808735411	VBIZURDQQKBDMM-VIFPVBQESA-N	361.332	4.872	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccccc2)c1C	811115894	DGZQBUPEMIIZGM-GBJDKNRMSA-N	366.461	4.524	50	20	FJGD	
COc1ccc(Oc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cn3)cc2)cc1	812242757	UTJRZJNOKTZQRI-VBKFSLOCSA-N	373.368	4.855	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccnn3CC(C)C)n2)cc1	843263779	FJGUUEJWEUBFHR-MHWRWJLKSA-N	364.474	4.735	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccccc1C(F)(F)F	912638579	SHTWCTPRXFUJSR-UHFFFAOYSA-N	373.378	4.556	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc3cc(OC)ccc3c2)n1	920388281	VHOZVECZTUBCQN-CXUHLZMHSA-N	364.426	4.546	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)c(C)n1CC1CC1	1116344204	SCXYHVRSFSNOEI-UHFFFAOYSA-N	352.265	4.579	50	20	FJGD	
C[C@@H](Oc1ccccc1F)c1nnc([C@H](Br)C(C)(C)C)o1	1118138498	UYPMQLFQAYOCLL-SKDRFNHKSA-N	357.223	4.831	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2occc2NC(=O)OC(C)(C)C)cc1	1324637400	XPXCSJIGAHPBTQ-UHFFFAOYSA-N	359.426	4.507	50	20	FJGD	
COC(=O)c1cccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1	1340356404	GFKPFIDIOVMKET-WOJGMQOQSA-N	360.438	4.969	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2OC)CC1	1776779149	YRGAEDGPQIISBO-UYRXBGFRSA-N	369.461	4.866	50	20	FJGD	
O=C(NNc1ccccn1)Nc1ccc(-c2nc3ccccc3s2)cc1	180025658	AAGQTTOFGCSRCI-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(CO)CC1	181777809	JJBYRWRAPAWAPS-UHFFFAOYSA-N	360.348	4.580	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](CO)C1	184407497	SEHZXIDCTCEFFU-SNVBAGLBSA-N	360.348	4.580	50	20	FJGD	
C[C@H](C1CC1)N(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186371486	GYMPMIUQIVXBTO-SECBINFHSA-N	365.389	4.763	50	20	FJGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	255122836	NCBFYUSFXWXZOA-WTKPLQERSA-N	369.154	4.523	50	20	FJGD	
C[C@@H](CCCO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297346512	ZYKXQKRXLKGXBG-JTQLQIEISA-N	362.364	4.874	50	20	FJGD	
N#CCCCOc1cccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1	726743497	KAFKQHUYXZZIEX-GZTJUZNOSA-N	350.805	4.812	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1cc(C2CC2)nn1-c1ccccc1	726871196	FYLBHMPIUHHPNV-UHFFFAOYSA-N	367.840	4.552	50	20	FJGD	
CC(C)COc1ccccc1C(=O)NNc1ccnc2cc(Cl)ccc12	731365755	SMLPUPIJAKUSDP-UHFFFAOYSA-N	369.852	4.680	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)ccc1Oc1cccnc1	732716244	MDLYTTGPHCIWEI-RGEXLXHISA-N	369.424	4.752	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccc([C@@H]2C[C@H]2C)o1	732765129	JHJLENXQZMFMHK-MLGOLLRUSA-N	365.458	4.599	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1ccccc1Nc1ccccc1	734248269	NZZNVBBEJBCULI-UHFFFAOYSA-N	360.442	4.797	50	20	FJGD	
O=C(NNc1ccccc1)N[C@H](c1ccccc1)c1cc2ccccc2o1	734266904	SYRQDUPUQNGKHA-OAQYLSRUSA-N	357.413	4.849	50	20	FJGD	
N#CSc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)c(Cl)c1	743348975	OTIYYDTYJPDJBI-UHFFFAOYSA-N	366.870	4.667	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(-c3ccsc3)nc2C)c(C)c1	743765291	KWRGXCXNHHVZQI-UHFFFAOYSA-N	351.475	4.801	50	20	FJGD	
COc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3Cl)s2)cc1	747407885	LIWIIJIUPRIHGY-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)/C=C\c1ccc(Cl)s1	748744621	UKVSQBZVDFSBTO-DAXSKMNVSA-N	371.687	4.629	50	20	FJGD	
CN(Cc1cccc(C(F)(F)F)c1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	750040548	YNOYGIJEZFERDP-CAOOACKPSA-N	361.323	4.610	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2nc(C(F)F)[nH]c2c1	763614268	DOMRUQZNNZVYGB-UHFFFAOYSA-N	371.174	4.564	50	20	FJGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1c(F)cccc1Cl	770197188	NXLLWCOTVYVOCO-UHFFFAOYSA-N	357.212	4.677	50	20	FJGD	
Cc1c(C#N)cccc1NC(=O)NN(Cc1ccccc1)c1ccccc1	770289304	MKYJXCSEPHFBHJ-UHFFFAOYSA-N	356.429	4.610	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc2[nH]c3c(c2c1)CCCC3	771674185	MJAMAJCMAHYOFV-UHFFFAOYSA-N	357.816	4.596	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1Br)C(=O)c1cc(F)cc(F)c1	772175992	JVZBRIXKHNDSSZ-JYOAFUTRSA-N	366.136	4.656	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1OC	772178435	FSMXRWVDDKTGDA-FBJMNJBLSA-N	353.393	4.801	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2ccc(Cl)c(F)c2)nn1-c1ccccc1	772465134	SZUYPUYVNYJWBS-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)C(=O)c1ccc(Cl)cc1F	773154855	NPTANKFPVFTGRW-KMKOMSMNSA-N	364.159	4.651	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(COc2ccc(Cl)nc2)CC1	789314593	BVLMAWWOIIPYII-FBCYGCLPSA-N	371.843	4.530	50	20	FJGD	
C=C(CBr)CN1CCC[C@@H]1c1cccc(Br)c1	791448464	LHPMTMVOICIDNF-CQSZACIVSA-N	359.105	4.537	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1ccc2nc(-c3ccccc3)oc2c1	793706982	QOEGEIKUPBGADK-UHFFFAOYSA-N	365.339	4.530	50	20	FJGD	
N#C/C(=C/c1cscc1Br)C(=O)c1ccc2ncccc2c1	794691949	REGIRPIKIMRJJU-QPEQYQDCSA-N	369.243	4.849	50	20	FJGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)c1c(Cl)cccc1Cl	799879311	XUWBJUSMIUYLCB-GFCCVEGCSA-N	362.260	4.832	50	20	FJGD	
ClCCCOc1ccc(CNCC2(c3ccccc3)CCOCC2)cc1	811473552	CZEARVITNJFFMW-UHFFFAOYSA-N	373.924	4.532	50	20	FJGD	
COc1cc(/C(C#N)=C/c2cscc2C(F)(F)F)ccc1[N+](=O)[O-]	811693206	HROFPDIDOZWLFM-ONNFQVAWSA-N	354.309	4.748	50	20	FJGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	812241079	BXBJCNWLQUPGAQ-XFFZJAGNSA-N	350.176	4.931	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc(-c3ccc(C)cc3)no2)cc1	915371554	WFQOJDHSSGKCOE-ODLFYWEKSA-N	358.397	4.609	50	20	FJGD	
CC(C)(C)ONC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	1116932777	VFINEYLYGIQEBM-JTQLQIEISA-N	356.797	4.758	50	20	FJGD	
Cc1ccc(-n2cc(C(=O)NNc3ccccc3)c(-c3ccccc3)n2)cc1	97637551	XKENBQRRZGHBPB-UHFFFAOYSA-N	368.440	4.605	50	20	FJGD	
Cc1ccc(NNC(=O)c2oc3ccc(Br)cc3c2C)cc1	120407865	ZPRWANLVCNTBLL-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Oc2cccnc2)cc1	153809530	KZZINKDOPFBSPH-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(SCc3ccccc3)cc2)cc1	155136581	ODEYBWMENAXQLL-UHFFFAOYSA-N	359.454	4.607	50	20	FJGD	
COC[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	184425269	MYBSNZINVFATFY-LBPRGKRZSA-N	360.348	4.891	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c(Cl)nc21	192802580	QTTQCOCHDWADRO-VGOFMYFVSA-N	367.796	4.638	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(C2CCCCC2)n1	588424932	IUKNEIHRFMVNND-WJDWOHSUSA-N	358.445	4.739	50	20	FJGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	588425959	ZQUAKFPHICUDLH-UVTDQMKNSA-N	361.850	4.607	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc(-c3cccs3)n2)c1	728440215	UMRQNLWFWJTVOL-MDWZMJQESA-N	352.440	4.670	50	20	FJGD	
C/C(=C/C(=O)NNc1ccc(Br)cc1Cl)c1ccccc1	733807759	KYHDFKNRWFYSCK-LUAWRHEFSA-N	365.658	4.649	50	20	FJGD	
Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1	742429753	YJRREPURIXGLIB-RVDMUPIBSA-N	361.426	4.790	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1ccc(F)c(Cl)c1	773153482	GEODXGSHXPEPHP-VZUCSPMQSA-N	365.147	4.831	50	20	FJGD	
Cc1cccc(F)c1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	776348916	DMORRNKBLUSDIM-VCHYOVAHSA-N	353.441	4.754	50	20	FJGD	
Cn1c(/C(C#N)=C/c2cccc(C(=O)OC(C)(C)C)c2)nc2ccccc21	777871118	YDENAMZVUWYYLP-GHRIWEEISA-N	359.429	4.593	50	20	FJGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	780375200	UOONPYPBNBNLHF-ATVHPVEESA-N	369.342	4.897	50	20	FJGD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NNc1ccc(C(C)(C)C)cc1	781040552	FBKZPRPWWNCQKK-UHFFFAOYSA-N	367.493	4.726	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)nn1C1CCCCC1	791732087	AXDKCZVYVQAUIC-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(CCl)c2)cc1Cl	799889819	UCNYDPAFHVUIIJ-RIYZIHGNSA-N	361.228	4.633	50	20	FJGD	
O=C(Cn1cc(Cl)cn1)Nc1ccc(S(F)(F)(F)(F)F)cc1	808715931	ZHMUCNNXORTFRZ-UHFFFAOYSA-N	361.723	4.833	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl	810250073	DTZPZPREKBKXCJ-YHYXMXQVSA-N	353.687	4.726	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCCCCl)cc1	811685733	ATNILTKBRIUVSR-QGOAFFKASA-N	368.864	4.857	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cncn2)c(F)c1)c1nc(-c2ccccc2)cs1	844244329	PQAPCENTTNRFIJ-LZYBPNLTSA-N	373.416	4.594	50	20	FJGD	
CC(C)(C)C(=O)NN=Cc1ccc(-c2ccccc2Br)s1	915966770	RDLSGVRQDFTKFM-UHFFFAOYSA-N	365.296	4.674	50	20	FJGD	
Cc1ccc(NNC(=O)c2cccc(Br)c2Cl)cc1Cl	1319941409	BYVBLGQMJBRGIR-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(C)c1OC(F)F	7156594	CLYATSPJLYJXEC-NTEUORMPSA-N	360.335	4.590	50	20	FJGD	
COc1ccc(C(=O)NNc2cc(C)ccc2F)cc1-c1ccccc1	150809167	NHPSCQRCBZAVSJ-UHFFFAOYSA-N	350.393	4.567	50	20	FJGD	
N#Cc1ccccc1Sc1ccccc1C(=O)NNc1ccccc1F	152855376	WOCMCNODCNOOSW-UHFFFAOYSA-N	363.417	4.605	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(CCC(F)(F)F)cc1	153088321	CKYNWLCIJTZZFL-UHFFFAOYSA-N	360.738	4.731	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1c[nH]cc1-c1ccc(F)cc1	153697237	NFMPZSLJVXZNAZ-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1F	213185189	MFIVFUIUUZIVQS-WUXMJOGZSA-N	354.768	4.759	50	20	FJGD	
COc1ccc(NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1	729273144	ICFLRYKSQJYJLW-HXUWFJFHSA-N	364.470	4.672	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(OC)c1OC	730148678	JNNVLTBJNZWMAB-XYOKQWHBSA-N	370.405	4.525	50	20	FJGD	
O=C(NNc1nccc2sccc12)c1sccc1-c1ccc(F)cc1	734247147	WCMRHLIVUMWRER-UHFFFAOYSA-N	369.446	4.921	50	20	FJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(Br)cc2)c1	741473017	DTZYAQAKLZSKOY-GULXKOIASA-N	372.266	4.547	50	20	FJGD	
C[C@H](Sc1cc(F)ccc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	746237803	VDSOXBVOCJQIKT-QCQOHNBASA-N	374.437	4.967	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F	746894451	LWQCMUSWSZCPRR-UHFFFAOYSA-N	374.149	4.641	50	20	FJGD	
CCCN(CC)Cc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1	748569213	DILGNRZZNRIYBH-UHFFFAOYSA-N	365.521	4.554	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1OC	748584843	BEVWQKXCXYSDFP-UHFFFAOYSA-N	368.477	4.510	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccncc2)c1C	757680492	YTDSRXDNUOOTDN-NNIWKIFQSA-N	351.450	4.511	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2Cl)cnn1C1CCCCC1	781349139	XJPPVAPMKBFQOV-UHFFFAOYSA-N	367.280	4.760	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)C1CCCC1	781553089	JTUPDLXLLPXTRH-PTNGSMBKSA-N	352.415	4.990	50	20	FJGD	
CCCCN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974358	RRGBFWNYFTXLIC-UHFFFAOYSA-N	353.378	4.765	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cc1[N+](=O)[O-]	788329452	WHJWDCSDMYARNX-RIYZIHGNSA-N	364.382	4.608	50	20	FJGD	
CC[C@@H](C(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1	791718332	XIUDVMMHAQZSLB-MRXNPFEDSA-N	353.249	4.639	50	20	FJGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1	792775666	LVBKQTKVXMKFAO-ONGXEEELSA-N	365.688	4.685	50	20	FJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)s1	794874247	FONKQEWTOISYAF-PKNBQFBNSA-N	357.797	4.516	50	20	FJGD	
CSc1cccc(F)c1C(=O)NNc1ccnc2cc(Cl)ccc12	799098327	CBXXDFIUVZCJIW-UHFFFAOYSA-N	361.829	4.506	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(-c2ccnn2C)c1	801648623	XGAAWJLWHBDSIM-BOPFTXTBSA-N	361.832	4.839	50	20	FJGD	
CC(C)(CO)[C@@H](NCc1ccc(OCCCCl)cc1)c1ccccc1	811496491	ABYUBRBGCYPHSX-FQEVSTJZSA-N	361.913	4.544	50	20	FJGD	
Oc1c(Cl)cc(Cl)cc1CNCc1ccc(OCCCCl)cc1	811508013	WFSGEIZSKMYNNY-UHFFFAOYSA-N	374.695	4.997	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCCCCl)cc2)c1C	811686632	YLLWSVGOIIOFLV-AQTBWJFISA-N	368.864	4.857	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc(-c2ncccc2F)n1	812767009	QPFVINAAHZBLFD-UHFFFAOYSA-N	370.453	4.533	50	20	FJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNc1cccc(Cl)n1	814655738	WIXHARRFSAUTOK-UHFFFAOYSA-N	362.861	4.507	50	20	FJGD	
CCOC(=O)[C@H](CC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	839726161	NLMAYGXUPHCLNB-LLVKDONJSA-N	361.332	4.872	50	20	FJGD	
COc1ccc(Br)cc1/C=C(/C#N)c1nc(C2CC2)cs1	843266323	UNIUCKLBTCVTBB-SDQBBNPISA-N	361.264	4.856	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccccc2)no1	921262141	QOWARMCWOCYSOR-XNTDXEJSSA-N	371.318	4.742	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)c1cccc(Cl)c1	11297538	MDAUPSFQEBNOFI-WUXMJOGZSA-N	362.610	4.598	50	20	FJGD	
COCc1c(C(=O)NNc2cccc(Cl)c2)sc2cccc(F)c12	30612815	IAXVZZXTCPCZJZ-UHFFFAOYSA-N	364.829	4.597	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(OCCCC#N)c1	102598503	GXYMDMHAWIUAKB-UYRXBGFRSA-N	359.429	4.532	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C(C)(C)C)nn1C	175623230	REJDRQBNDZWZEU-UHFFFAOYSA-N	370.522	4.668	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	212116036	RXFBKASZMRKQFB-LCYFTJDESA-N	360.385	4.556	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(F)c(Cl)c2)c1C	303084694	AUEFHPKGOKTIND-YVLHZVERSA-N	373.859	4.531	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl	727975949	JTLOLMGNGFCKOR-RUDMXATFSA-N	371.145	4.956	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1cccc(C(F)F)c1	739300999	KCJPNEVMOPJBFX-UHFFFAOYSA-N	372.121	4.514	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2[N+](=O)[O-])c1C	739426844	WHSPYDSNAXEMHM-OQLLNIDSSA-N	371.824	4.866	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCC1(c2cccc(F)c2)CC1	739754587	PMJFQLUPTPSUEF-MRXNPFEDSA-N	353.528	4.688	50	20	FJGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3cccc4cccnc34)o2)cc1	747356114	NCRVPYNRMDGMET-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2Br)s1	748058994	FJMVTNIINOEJHM-UHFFFAOYSA-N	353.285	4.565	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(Cl)cc2cccnc12	763612126	FFVFSEZOTDFIMA-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1C#N	766288886	MXFCEJHXXLEGJY-ZSOIEALJSA-N	356.212	4.719	50	20	FJGD	
O=S(=O)(NC1CCCCC1)c1cccc(S(F)(F)(F)(F)F)c1	777843448	RSMGQUJLZVMZKX-UHFFFAOYSA-N	365.389	4.955	50	20	FJGD	
COc1ccc(C(=O)NNc2c(Cl)cccc2Cl)c(OC(C)C)c1	789816513	OJXLXTNEMYVWQC-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	799271028	GULDNNOEBHJNSS-JTQLQIEISA-N	372.359	4.753	50	20	FJGD	
CC(C)(C)c1ccc(-c2ccc(C(=O)NNc3ncccc3F)o2)cc1	804216575	KQMIKQNWCNINBS-UHFFFAOYSA-N	353.397	4.535	50	20	FJGD	
Cc1cc([C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)no1	810797574	ZDTOBEREPWXBOG-WAKXPGHKSA-N	369.465	4.659	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1	815851648	OIETUITWEACJHA-UHFFFAOYSA-N	371.318	4.594	50	20	FJGD	
COc1ccc(NNC(=O)c2cc3cc(C)ccc3o2)c(C(F)(F)F)c1	816702956	JIJVVCWDTBEXGE-UHFFFAOYSA-N	364.323	4.526	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1c(F)cccc1Cl	916349517	NXTQZFIDDKSXDL-UHFFFAOYSA-N	373.840	4.675	50	20	FJGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)c1	916557599	VZYDBZHPSHAEQJ-MRXNPFEDSA-N	359.470	4.614	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ncc(Cl)s1	1116872858	ZBMZUITXGRJAJA-UHFFFAOYSA-N	357.049	4.514	50	20	FJGD	
CCN(Cc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1)C(C)C	1318296850	DMJHIGQAQBZGFT-UHFFFAOYSA-N	359.901	4.636	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC	23163540	IUZDKGGLDOBRLY-NTEUORMPSA-N	367.836	4.698	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(c2ccccc2)CC1	29518001	QFGGBQLNXFGLGZ-UHFFFAOYSA-N	355.652	4.822	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c(C)nc4sc(C)cn34)c[nH]c2c1	63413057	AKSKUXHNCYSWJJ-VGOFMYFVSA-N	360.442	4.592	50	20	FJGD	
N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NNc2ccccc2)c1	116974813	QDCZRYUYKLGILE-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	159259360	XVTXXYABGIGLRU-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1cc(Br)c[nH]1	728156744	NZTWKVFHXVQFRI-GFCCVEGCSA-N	354.292	4.634	50	20	FJGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F	731956210	ULBJVQUAVXBCRK-OAHLLOKOSA-N	354.397	4.719	50	20	FJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNc3ncccc3Cl)cc2C1	734246261	JZVJLKVLXZVGMA-LBPRGKRZSA-N	363.914	4.704	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1Cl	753301204	YMOLIQRHNVAFQC-UHFFFAOYSA-N	371.824	4.836	50	20	FJGD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NNc1ccccc1F	770078079	ZZRAIFLCPCBOGK-UHFFFAOYSA-N	374.416	4.630	50	20	FJGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773144192	INNSCAFNIUMNOY-UKTHLTGXSA-N	350.315	4.846	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)C1CCCC1	781554217	IOTZLMCMJIFCOF-BOPFTXTBSA-N	353.853	4.560	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccn1Cc1cccs1	791713452	IBRIWZOHVQGIBC-UHFFFAOYSA-N	366.273	4.662	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1	794873010	ATNZUEQAKSBWPS-OBHPCNEJSA-N	361.869	4.810	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cn1	797787582	WDCBVCWXEJEWEP-LGMDPLHJSA-N	357.388	4.778	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)C(C)(C)c2csc(-c3cccs3)n2)c1	800521166	WUPRSGQHDBDHLU-UHFFFAOYSA-N	371.531	4.909	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(-c2cnn(C)c2)c1	801648562	VKIAAPSAELPIBR-WQRHYEAKSA-N	367.412	4.510	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(-c2ccc(F)cc2)s1	805384859	RKKRLIUJHCVWOT-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
N#C/C(=C/c1cc(Br)cc(Br)c1)c1ccccn1	809147073	JPPMKKQURQXDCR-WZUFQYTHSA-N	364.040	4.671	50	20	FJGD	
Cc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1Br	812770260	JRQFYZXFBNLOFR-UHFFFAOYSA-N	361.283	4.946	50	20	FJGD	
Cc1nn(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c(C)c1CCO	853684504	SZDKBULLRWMCFK-UHFFFAOYSA-N	374.601	4.605	50	20	FJGD	
N#C/C(=C/c1cc(OC(F)F)ccc1Br)c1ccccn1	864969324	MPEPVNPLIBNDHB-XFFZJAGNSA-N	351.150	4.510	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccccc1N1CCCC1	918705874	JZWIXJWGWRXJIT-QGZVFWFLSA-N	364.580	4.617	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(-c2cccs2)on1	179442071	YLAOMWRSKUJALG-UHFFFAOYSA-N	372.208	4.606	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	214135527	AVYHSXXSHKHFEE-XCVCLJGOSA-N	367.619	4.898	50	20	FJGD	
Cc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C	255905281	KXOIPRHGIFSEBY-GDNBJRDFSA-N	361.470	4.957	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F	726117652	BCIBFGNXQZCGLJ-GHXNOFRVSA-N	372.209	4.963	50	20	FJGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	733219718	FBKRLXVSKLICOS-ZDUSSCGKSA-N	371.308	4.751	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](Cc2ccc(F)cc2)C1	736586844	IOAONIQNFMJIIY-WMZOPIPTSA-N	367.555	4.931	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1sccc1-c1ccccc1	740091337	KKAPSJFXWTZONU-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
COc1ccc(Br)c(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	747690217	FGTLVJXUUJNEOH-KPKJPENVSA-N	362.248	4.618	50	20	FJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C3CC3)oc2cc1C	749807262	NGGUYRXXRWWOBH-ZSOIEALJSA-N	362.351	4.510	50	20	FJGD	
C=CCOC(=O)/C(C#N)=C\c1nc(-c2cc(Cl)ccc2Cl)cs1	753897335	RYSVCALQNFCNFK-POHAHGRESA-N	365.241	4.753	50	20	FJGD	
CC(C)c1noc(-c2ccc(NC(=O)NNc3ccccc3Cl)cc2)n1	769994071	SNGDNVXVFUXUDS-UHFFFAOYSA-N	371.828	4.662	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	776614060	FJQWQTGBAIWLKL-RGEXLXHISA-N	370.408	4.517	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccn2Cc2ccccc2C#N)c1C	782196575	DHWBYKDRJLTBOU-FYJGNVAPSA-N	365.436	4.815	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(C2CCCCC2)n1	783687918	QDSIZLPQZWDWLI-LCYFTJDESA-N	359.882	4.973	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1	787532962	HYYLWZGILMZHBK-WZUFQYTHSA-N	366.726	4.610	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1	797328273	MVMFWEUNVMMDAJ-PTNGSMBKSA-N	357.454	4.553	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl	799755423	DTBUODBVDDWITN-UHFFFAOYSA-N	373.884	4.562	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1(c2ccc(Cl)cc2)CC1	812016716	OLEFINFMJORMON-UHFFFAOYSA-N	372.255	4.717	50	20	FJGD	
CCC1(C)CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	812519922	HCRPEVSRNBNCBA-UHFFFAOYSA-N	365.389	4.765	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	814190124	OLFDAPAPCKGUKQ-YCBRGWCCSA-N	353.368	4.847	50	20	FJGD	
Cc1cnc([C@@H](NC(=O)NNc2cccc(Cl)c2Cl)C2CC2)s1	838492210	QCZIDBDQRQEFNY-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
O=C(NCCC1CCNCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	846309666	ASFWWPSIDXYKAT-UHFFFAOYSA-N	373.391	4.855	50	20	FJGD	
CC[C@@H](O)c1nccn1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	853694487	LRWPRCGKJYKOIG-GOSISDBHSA-N	360.574	4.897	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2c(F)cccc2Cl)c1C	914477848	CITYAHADAXZCJB-YBEGLDIGSA-N	373.859	4.531	50	20	FJGD	
CCCC(C)=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	916287636	OYQCNYJUHRSWMG-UHFFFAOYSA-N	366.490	4.761	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@@H]1CC[C@H]2C[C@H]1CN2	1553311893	DLJNPRJBCKZJKL-OUJBWJOFSA-N	371.375	4.606	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)cc1	8078259	DLSWXZDLRNFWGW-SFQUDFHCSA-N	367.401	4.733	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccccc2OCc2ccccn2)nc2ccccc21	25174928	DKZBKKBAUWXARC-NBVRZTHBSA-N	366.424	4.611	50	20	FJGD	
C[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CCOC1	277505576	VTIFHPSTCBAHGS-UWVGGRQHSA-N	360.348	4.891	50	20	FJGD	
Cc1ncccc1/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1	728785714	KUMKGOFQVKLEBO-JXAWBTAJSA-N	355.397	4.728	50	20	FJGD	
COc1ccc(NNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1	729273800	FTHRFUFENCROEM-UHFFFAOYSA-N	352.434	4.559	50	20	FJGD	
O=C(NNc1ccc(F)cc1)[C@H](Sc1ccccc1F)c1ccccc1	729965385	CKGPLLRLLREXOL-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(OCc4ccncc4)cc3)[nH]c12	735619672	OVPYBWJONJRXLQ-CPNJWEJPSA-N	366.424	4.910	50	20	FJGD	
CC[C@](C)(NC(=O)CCCC[C@H]1CCSS1)c1nc(C)cs1	741715499	ZOHZJZOWCREKCY-BBRMVZONSA-N	358.598	4.907	50	20	FJGD	
Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3occc3C)n2)c1	742350214	SXTPMMSBWDCCMT-DHDCSXOGSA-N	363.442	4.874	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1SCCc2sccc21	742520129	UKYIPUWGOTYFPC-IBGZPJMESA-N	366.511	4.948	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1c1cccc(F)c1F	748018111	IIESWDYTKIFJNR-WDEREUQCSA-N	357.187	4.518	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1	749200598	OSLSGHIPMIZASS-UHFFFAOYSA-N	374.469	4.666	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1cccc(Cl)c1F	753170806	PXPIVEIUHVIPFH-UHFFFAOYSA-N	371.637	4.561	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(Cl)c(OC(F)F)c1	771192602	TWJXTLVBTYXRHM-UHFFFAOYSA-N	359.735	4.538	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc(C(=O)O)c3)n2)cc1	774126052	DFFMTCMWIKPINJ-YBEGLDIGSA-N	362.410	4.581	50	20	FJGD	
C#C[C@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCO1	775776509	GJAFNDRKFTVDBV-STQMWFEESA-N	370.343	4.646	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2F)c(C)n1CCC(C)C	782853540	YPQFNOLZAOQANX-LICLKQGHSA-N	369.440	4.541	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1Cl	788620535	QTPXNFDUOSWVMJ-UHFFFAOYSA-N	373.762	4.602	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cn1	812245785	XTZWWRYACDJCND-BJMVGYQFSA-N	353.687	4.726	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)Cc1cncc2ccccc12	812764689	CBGTXPBHQRDEQO-KRWDZBQOSA-N	361.489	4.989	50	20	FJGD	
COc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(OCC2CC2)c1	812769746	UYWQHKNNKOWACE-UHFFFAOYSA-N	368.477	4.673	50	20	FJGD	
Cc1cc(NC(=O)NNc2ccccc2F)ccc1NC(=O)OC(C)(C)C	825979996	NBJFTXGPWSNTGU-UHFFFAOYSA-N	374.416	4.630	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc(Cl)c1O	920068810	CISMCZAIHZJICI-AWNIVKPZSA-N	369.833	4.637	50	20	FJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)c1nc2ccccc2n1C	921259156	JMCTUHXEYUVGDA-GHXNOFRVSA-N	358.228	4.953	50	20	FJGD	
Cc1cccc2cc(/C=C(\C#N)c3nnc4n3CCCCC4)c(Cl)nc12	7158941	NKUXQGJSTZTSBS-LFIBNONCSA-N	363.852	4.579	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccncc2)cc1	32831787	NXXGFJJSKRYJSI-XSFVSMFZSA-N	369.424	4.515	50	20	FJGD	
CCn1nc(C)c(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C	76106449	KOFZLENYMFWDFZ-MFOYZWKCSA-N	359.458	4.579	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C#N)cc2)cc1	110654471	PIFAQDPDCCIEFD-LCJWNIEWSA-N	373.456	4.866	50	20	FJGD	
O=C(NNc1ccccc1)c1cccnc1Oc1ccc(Cl)cc1Cl	111551156	HFPPREAXYZFBQV-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Oc2cccnc2)cc1	120134176	HAWZTMPRMODYMQ-UHFFFAOYSA-N	359.429	4.510	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1ccncc1F	124572553	ZXNQZNVELWLGLV-CYBMUJFWSA-N	364.751	4.692	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12	128412815	DXZFBVLCPMWOAD-GHXNOFRVSA-N	351.749	4.519	50	20	FJGD	
COc1cccc2cc(C(=O)NNc3c(Cl)cccc3Cl)oc12	133313275	TWEQIEOBSRLZBF-UHFFFAOYSA-N	351.189	4.505	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OC)cc1	211681904	NPAWMYJSOWNRHN-QLENYVDCSA-N	364.445	4.763	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CC2(CCOC2)C1	296979914	XQUUOCAXFXXSAD-UHFFFAOYSA-N	358.332	4.598	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)c1ccc([N+](=O)[O-])cc1	588450111	WHIOSVFLEQDCRY-NTUHNPAUSA-N	366.270	4.739	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3c(-c4ccccc4)nn(C)c3Cl)[nH]c12	735619157	JOBCUCOISNABLL-PTNGSMBKSA-N	373.847	4.989	50	20	FJGD	
CC[C@H](NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(F)cc1F	738418680	ZARJQNYSOXDVGD-BZNIZROVSA-N	364.461	4.537	50	20	FJGD	
Cc1ccccc1O[C@@H](C)CNC(=O)CCCC[C@@H]1CCSS1	742142558	MUUZATWWQLNYRO-JKSUJKDBSA-N	353.553	4.593	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC(C)C)nc1	748667818	RYQIKGKWCAVJQU-UHFFFAOYSA-N	369.490	4.819	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N(Cc1ccc(O)cc1)CC1CC1	769474976	GEJBBAPONMNDDU-SFHVURJKSA-N	365.564	4.845	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H]1c1cccc2ccccc12	775265140	VDPZTTGZBKPOJP-IAGOWNOFSA-N	371.362	4.500	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3ccc(Cl)s3)sc2c1	788687453	GJGNVIIUTOZHLL-RMKNXTFCSA-N	360.847	4.810	50	20	FJGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)c1ccc(F)c(Cl)c1	789148085	NYGWGIVYYUCGDR-IZZDOVSWSA-N	358.781	4.985	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(Br)c1	794690247	HSFYXBWXEIQWEH-MDWZMJQESA-N	368.234	4.707	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(-c2cnn(C)c2)c1	801648309	PVPIADPUCHESDX-ZSOIEALJSA-N	367.861	4.900	50	20	FJGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1cccc(Cl)c1	810218431	JBMKAEMNIUURBQ-AUWJEWJLSA-N	374.223	4.945	50	20	FJGD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841684853	IIRCGJOZGLCBGE-GHMZBOCLSA-N	374.375	4.969	50	20	FJGD	
CCOc1ccc(NNC(=O)c2ccc(OCC3CCCCC3)cc2)cc1	857511871	BQZSXMDGOMLTGV-UHFFFAOYSA-N	368.477	4.801	50	20	FJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC(F)F	915982513	GXIDKLOJLBSCGZ-JYRVWZFOSA-N	362.763	4.796	50	20	FJGD	
C[C@@H]1CCCC[C@H]1N(C)CCP(=O)(c1ccccc1)c1ccccc1	917096796	ADBMDKWEAFLUFR-DENIHFKCSA-N	355.462	4.511	50	20	FJGD	
O=C(NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1)c1ccccc1F	921251441	LMTSQASVKCJGPI-UHFFFAOYSA-N	370.330	4.660	50	20	FJGD	
CCc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nn1C	1342567865	DJNWQUVLMKSTQU-UHFFFAOYSA-N	355.332	4.892	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C	2854870	YIYXNWSMCHQEHF-XNTDXEJSSA-N	370.836	4.681	50	20	FJGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@H](CC)c2ccccc2)cc1	6517074	PFWSWZFFRACTGH-LJQANCHMSA-N	369.534	4.541	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(COc2ccc(C)cc2)n1	101799951	IBCCGSQQNPGHOX-YBEGLDIGSA-N	354.475	4.943	50	20	FJGD	
COc1ccc([C@H](C)N(C)C(=O)CCCC[C@H]2CCSS2)cc1	115602504	ABSHWTHDENJGFG-YOEHRIQHSA-N	353.553	4.929	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(C)cs2)ccc1OCC(F)(F)F	131099375	FFGXZZWKGFLGBO-MLPAPPSSSA-N	368.380	4.856	50	20	FJGD	
O=C(NNc1ccncc1Cl)c1ccccc1Sc1ccccc1	135873977	NYYILEDNHJVDGY-UHFFFAOYSA-N	355.850	4.643	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc(Cl)c1O	194581014	BHXXAEGQWQAWQY-AWNIVKPZSA-N	366.804	4.634	50	20	FJGD	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CCCC[C@H]2CCSS2)C1	248590437	KTVXPPYYQFIIGT-HYVNUMGLSA-N	350.553	4.705	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	727800110	MNPGDQYJOYONFE-CHWSQXEVSA-N	355.652	4.894	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3F)o2)cc1	734305133	JHTYZTVBWSJPDF-ATVHPVEESA-N	360.388	4.618	50	20	FJGD	
C[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1cccc(C#N)c1	745923672	VOVZQNRHOXOUBO-GOSISDBHSA-N	370.456	4.540	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3cc(F)c(F)c(F)c3)ccc2c1	746701712	XOTQMMWRNUBMEM-NSHDSACASA-N	374.362	4.513	50	20	FJGD	
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1Cl	748303379	RABORTALAPTLEW-UHFFFAOYSA-N	370.758	4.681	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c1	748383299	ZXYPIQPHCFZNKD-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
Cc1cc(COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c2ccccc2n1	769976625	RCJCHEVYPMGZTM-BOFPYLFWSA-N	374.278	4.540	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(-c2nccs2)c1	771124875	PVJQMOKJZJBYLN-UHFFFAOYSA-N	362.817	4.751	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	779751484	IPMOHVMVFFDBGU-WJDWOHSUSA-N	354.837	4.901	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(-c2nccs2)cc1	781071180	SUFMECCIMMHWGO-GFCCVEGCSA-N	353.285	4.558	50	20	FJGD	
CC1(C)CCC(=NNC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)C1	783807711	OAILFHVCKPQGPT-UHFFFAOYSA-N	361.898	4.947	50	20	FJGD	
Oc1nc(CCCBr)nc2scc(C3CCCCC3)c12	790111328	SKPDPOPEGRVXPQ-UHFFFAOYSA-N	355.301	4.772	50	20	FJGD	
Cc1ccc(C(=O)NN=C2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)o1	799482315	RZVPXQJNWOKURX-ZDUSSCGKSA-N	350.340	4.660	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ncc(-c2ccccn2)s1	804226597	RXKBKBACVCCDJW-GFCCVEGCSA-N	365.549	4.858	50	20	FJGD	
O=C(NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1F	853314688	SLFWAVHMIIMQCO-ZJUUUORDSA-N	350.743	4.563	50	20	FJGD	
C[C@@H](NC[C@@H](CBr)C1CC1)c1nc2ccccc2n1C(F)F	1329798487	PICOKUDBJGWYGO-ZYHUDNBSSA-N	372.257	4.503	50	20	FJGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	7212158	AIVVWYFPOPDVGW-NTUHNPAUSA-N	352.381	4.827	50	20	FJGD	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C	10404461	LPNMAOWHJSDPBE-NGWPFTMJSA-N	371.868	4.511	50	20	FJGD	
CSc1ccc(Cl)c(C(=O)NNc2ccc(Br)cc2)c1	48425750	CHKXXGMQYKPUHL-UHFFFAOYSA-N	371.687	4.581	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1	159171491	FWRLXKFSIJQBCG-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
C=CCN(CC=C)C(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186146798	ZRCRNOCCVMITEK-UHFFFAOYSA-N	356.360	4.957	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1)C1CCCCC1	303428576	CTHBOWQIZIAMTK-UKTHLTGXSA-N	368.811	4.639	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	588393673	SNAGNGYTZCXRRG-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
CC(C)(C)c1nc(C=NNC(=O)c2c(Cl)cccc2Cl)cs1	727778652	DKEQTQQWUINKQS-UHFFFAOYSA-N	356.278	4.511	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	728787616	PVFTUQHBUXIOEZ-LICLKQGHSA-N	366.424	4.965	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1c(Cl)cccc1OC(F)F)c1ccccc1	732924645	BMQWIYPRVYCHKC-ZDUSSCGKSA-N	366.795	4.585	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2cccnc2)c1C	733415854	OOJFLTKXSPMWIP-XNHPLOEXSA-N	351.450	4.511	50	20	FJGD	
Cc1cccc(COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)n1	736756690	FKRCKYYYJAUFFS-NDENLUEZSA-N	365.477	4.505	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)c1c[nH]c2cc(F)ccc12	741841388	BJYRTHHQSWZXQZ-NTUHNPAUSA-N	370.330	4.741	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc2ccccc2cc1OC(F)F	762003952	XIDNPFLCVCRPPM-UHFFFAOYSA-N	360.335	4.646	50	20	FJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccn12	762603972	MHQPHBWROIUTNX-KAMYIIQDSA-N	364.836	4.657	50	20	FJGD	
C[C@H]1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC12CCC2	771462570	IYCVLKYHYVTTHD-FQEVSTJZSA-N	367.473	4.513	50	20	FJGD	
C[C@H](C(=O)NNc1c(Cl)cccc1Cl)c1cn(C)c2ccccc12	773370248	YUZLHAYHTQDBPJ-NSHDSACASA-N	362.260	4.732	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2coc(-c3ccccc3Cl)n2)c(C)c1	776478393	GMJZIZCKTDEOEW-UHFFFAOYSA-N	355.825	4.677	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1nc(C(C)C)n2ccccc12)c1ccccc1	787176427	BSAIFWUXIMXRTG-GDLUXTLDSA-N	372.472	4.632	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(SC)ccc2C)c(C(F)(F)F)c1	816703805	UJOSQYGFCHDJNB-UHFFFAOYSA-N	370.396	4.501	50	20	FJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2ccc(C)cc2Cl)c1C	836333573	HABWYZVWGKOXNF-UHFFFAOYSA-N	374.872	4.844	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCO[C@@H](c2cccs2)C1	837000278	RZRDGEYBJKJOFJ-RBSFLKMASA-N	371.593	4.799	50	20	FJGD	
CCCc1c(C(=O)NNc2cccc(Cl)c2Cl)[nH]c(C)c1C(C)=O	838342862	BXRQSKVMLSGUNW-UHFFFAOYSA-N	368.264	4.542	50	20	FJGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2cc3ccccc3nc2O)C1	852522501	KKEICMHPGHPXFB-QGZVFWFLSA-N	358.558	4.537	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	39490992	PJMQPOPWOQHUDL-WZUFQYTHSA-N	374.195	4.610	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1cccc2ccccc12	111677498	XYWFPSJHUXBZLC-PDGQHHTCSA-N	372.424	4.751	50	20	FJGD	
Cc1cccc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1	120675951	JSMVKXSZEOEDFG-UHFFFAOYSA-N	359.788	4.508	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1c[nH]c2ccccc12	132496664	UYVOWSJYEKFDDU-ZROIWOOFSA-N	352.340	4.602	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1OCCc2ccccc21	137106155	ZNPOHNNHNAQBJD-HXUWFJFHSA-N	366.486	4.637	50	20	FJGD	
CC(C)(C)c1nc(CCNC(=O)CCCC[C@@H]2CCSS2)cs1	155587150	JNIQMLQDJMUXNR-CQSZACIVSA-N	372.625	4.813	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)s1	170938423	ZNQRSLMOJBCHDP-LICLKQGHSA-N	350.443	4.906	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(OC3CCCC3)c2)cc1	211303503	YSPJKEINKGJARF-KGENOOAVSA-N	367.470	4.655	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2Cl)c1C	726430538	ZDIQJALFIUUPLD-VZWMTCDZSA-N	355.869	4.724	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(OC[C@@H]3CCCO3)cc2)c1C	727655111	NJUGMNSJRJVVQH-FNGUVFISSA-N	361.441	4.651	50	20	FJGD	
CCC(C)(C)C1CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CC1	733078384	LQDUVVSWXZQJCE-UHFFFAOYSA-N	352.482	4.585	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1sccc1-c1ccc(F)cc1	734551650	LJQBEMHGIKEHEG-UHFFFAOYSA-N	366.339	4.728	50	20	FJGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2sc3ccccc3c2Cl)c1	744720296	IFJVTXHLQBAYSM-UHFFFAOYSA-N	372.877	4.701	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(Oc2ccccc2Cl)cc1	746891387	GGFMHZOJUSOEBW-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
COCc1c(C(=O)NNc2cc(Cl)ccc2Cl)oc2ccccc12	752813535	VKKMTJFCRFYKJL-UHFFFAOYSA-N	365.216	4.643	50	20	FJGD	
Cn1cc(/C=C/C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)cn1	762518114	NHKSRMJGJOAUBS-AATRIKPKSA-N	353.316	4.729	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccccc1SC(F)(F)F	770203511	NWZALVWQXZINSI-UHFFFAOYSA-N	364.751	4.848	50	20	FJGD	
CC[C@H]1CCCC[C@H]1NCCP(=O)(c1ccccc1)c1ccccc1	775678781	UFIYDZGMCQPFJK-SIKLNZKXSA-N	355.462	4.559	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)c1ccc(OC(F)F)cc1	776258953	BQOYKPPQUYTGFA-GHXNOFRVSA-N	351.711	4.870	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCCOc2cc(F)ccc21	776999961	NPMZAFDFKHUANM-GOEBONIOSA-N	369.527	4.870	50	20	FJGD	
CCC[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccn1	790289033	BWYBRSGWXNSNIN-OAHLLOKOSA-N	353.253	4.556	50	20	FJGD	
CC(C)O[C@@H](C=NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1	793003050	AEUIZUXJJUGCBI-INIZCTEOSA-N	365.260	4.875	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)C(=O)c1ccoc1	806557507	UUXXJCOHWQASOM-KEBDBYFISA-N	354.365	4.520	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1c(F)ccc(SCC2CC2)c1F	827181100	VRGUJTGHMRWLTC-UHFFFAOYSA-N	366.408	4.671	50	20	FJGD	
C[C@@H](N)C1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	841180023	WGJOTJZGJGZXIA-SNVBAGLBSA-N	373.391	4.935	50	20	FJGD	
CC1CCN([C@@H](CNC(=O)CCCC[C@H]2CCSS2)C(C)C)CC1	915084071	XDIRIXGEGRGSPG-ROUUACIJSA-N	372.644	4.573	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1OC(C)C	916131565	JUBYIMJISLRTND-BOPFTXTBSA-N	361.401	4.597	50	20	FJGD	
Cc1cc(OC(=O)c2ccc(C3SCCS3)cc2)ccc1[N+](=O)[O-]	917368074	IVYSZUPTINVDPR-UHFFFAOYSA-N	361.444	4.601	50	20	FJGD	
O=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1-c1ccccc1	917535026	SNILXUIKMABZDQ-UHFFFAOYSA-N	364.832	4.536	50	20	FJGD	
O=C(NN=Cc1cc(Br)ccc1F)c1ccc2ccccc2c1	917546162	GKLAETROYZFJSF-UHFFFAOYSA-N	371.209	4.505	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)Nc1cccc2ccccc12	1317836084	DNLKUABFKVZZQA-SILNSSARSA-N	367.452	4.986	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)oc1ccccc12	1321927325	SHUPBKBCKIQGFY-UHFFFAOYSA-N	371.318	4.757	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	6628453	GRVKPZUDIDMPLF-WQRHYEAKSA-N	356.429	4.548	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(Br)cs1	16410752	HMFNHKBVZKUKOC-WUXMJOGZSA-N	361.264	4.673	50	20	FJGD	
CCCOc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)ccc1OC	16441601	DNZDZBVMHGYZKY-LFIBNONCSA-N	360.413	4.755	50	20	FJGD	
COCc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	23135709	QLQQQFNEQSTNAX-UHFFFAOYSA-N	359.640	4.550	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCc2nccs2)c(C)n1C1CCCCC1	95364990	PJHUFQVHSACCHJ-BOPFTXTBSA-N	369.490	4.717	50	20	FJGD	
COCc1ccc([C@@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)o1	161562048	FVYPCDFUQRIWTQ-CVEARBPZSA-N	369.552	4.804	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(-c2ccccc2)s1	172410910	ACJHDBVXLNSUMU-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)N[C@@H]1C=CCCC1	193540752	FMSIYXUMZCIYKN-SNVBAGLBSA-N	370.343	4.507	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)c1nc2cc(F)ccc2s1	730150912	MVKVGLPUTAXPHD-PXNMLYILSA-N	360.417	4.744	50	20	FJGD	
C/C(=C\C(=O)NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1	743455487	MFIGRFBDACDCDJ-CSKARUKUSA-N	356.294	4.530	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1noc2c1CCCC2	748672412	GIAGAQUTVPOMHH-UHFFFAOYSA-N	355.463	4.504	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccco2)c1C	754716871	DTKUEIIDLXABJP-DEDYPNTBSA-N	373.456	4.561	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cc1	755776071	FOXMSASHASGUAL-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)oc2ccc(F)cc12	761591682	VGWIWHJLOWZFOY-UHFFFAOYSA-N	368.286	4.536	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(Br)c1	763617868	VLMHJFWHCNICJS-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ncccc2C(F)(F)F)c1C	765502256	RASAOOZRRRQPPD-UVTDQMKNSA-N	361.367	4.719	50	20	FJGD	
CC(C)(C)c1cc2c(O)nc([C@@H]3CC[C@H](Br)C3)nc2s1	765980736	DJUYOAMEGLMZOY-BDAKNGLRSA-N	355.301	4.725	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CCCc2sccc21	771538200	KCYGGQBFTAMZOP-CYBMUJFWSA-N	357.866	4.513	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1	775730795	INYUMXNVGHHWSJ-RAEBXZQASA-N	360.791	4.556	50	20	FJGD	
COC(=O)NNC(=O)Nc1ccc(Cl)cc1-c1cccc2ccccc12	788697719	UHGIDQNSTUIJEL-UHFFFAOYSA-N	369.808	4.553	50	20	FJGD	
COc1cc(NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1Cl	790174345	HRUOSOITCHCHGH-JTQLQIEISA-N	371.289	4.626	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(C)cc1Cl	793732949	PWLYNWVSSQDAPE-UHFFFAOYSA-N	360.738	4.872	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(Br)cc2)c1	794873183	BZKZMAHWYZVCLC-NTEUORMPSA-N	372.266	4.547	50	20	FJGD	
ClCCCOc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1	811485107	AHVGDGBIYAWJHE-SIKLNZKXSA-N	373.924	4.952	50	20	FJGD	
COc1cc(CCNC(=O)CCCC[C@H]2CCSS2)ccc1Cl	819159918	JQHGRILYAXKXAE-AWEZNQCLSA-N	373.971	4.721	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c2ccccc12	915985244	KKRGCILMSPKFJZ-LGMDPLHJSA-N	353.381	4.963	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(-c2cccs2)s1	1255206729	FHKSDODLRPEYRF-UHFFFAOYSA-N	369.393	4.647	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3cc4c(s3)CCC4)o2)cc1	1348893323	RTNNEAWIQCGQQT-XNTDXEJSSA-N	363.442	4.750	50	20	FJGD	
CCOc1ccc(C#N)cc1NC(=O)CCCC[C@H]1CCSS1	56476813	ZUBGGXKVTVGOLS-AWEZNQCLSA-N	350.509	4.610	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)c1	122469842	XUDDTWGIVBDHTB-UHFFFAOYSA-N	364.449	4.597	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	127190702	IOVJZNWULMYXPL-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cc(Cl)ccc2OC[C@@H]2CCCO2)n1	174594783	XEXAVRGIFWFGNU-KAMPRCONSA-N	360.866	4.727	50	20	FJGD	
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)c2ccccc2)cs1	211395110	IJTJIQSMHXXRHH-ATVHPVEESA-N	373.437	4.618	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1	588459358	RYYPLFKHBPHUQX-OVCLIPMQSA-N	369.808	4.719	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C)s2)c1C	728006232	XVPHSSFFERTXRH-UNOMPAQXSA-N	369.534	4.841	50	20	FJGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1ccc(OC(F)F)cc1	754280573	HZEJIPMSNQHYNO-KBPBESRZSA-N	360.404	4.721	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1Br)c1nc(-c2ccccc2)no1	761177720	UNGBOYHJGPHFCO-MDWZMJQESA-N	370.181	4.702	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(SCC)c1	769725099	LFADMWKHQMOBBU-FOWTUZBSSA-N	352.459	4.743	50	20	FJGD	
Cc1cc(/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-]	774558627	MBNOTPAMHCOTAM-DHDCSXOGSA-N	362.307	4.909	50	20	FJGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	776258635	SZMZXCJKEWZTMX-WJDWOHSUSA-N	357.356	4.865	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(Br)c1OC(F)F	776724956	AVGZXECPFASCRV-XFFZJAGNSA-N	358.182	4.573	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(C)(C)C#N)c(C)n1C1CCCCC1	781466505	DKSWGLMNEHWJKO-WQRHYEAKSA-N	353.466	4.610	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nccc4sccc34)s2)o1	782117748	NVCXQQNEOLJJQE-UHFFFAOYSA-N	355.444	4.683	50	20	FJGD	
N#C/C(=C/c1sccc1Br)C(=O)c1ccc2ncccc2c1	794885446	RUAAAPBYKRNCCU-LCYFTJDESA-N	369.243	4.849	50	20	FJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(Cl)c3c(c2)OCCO3)s1	797398081	DRIGODFXEAMJHC-WUXMJOGZSA-N	360.866	4.929	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nc(-c2cccs2)oc1C	812769455	HTMJAIDDWOLINN-UHFFFAOYSA-N	355.463	4.900	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1Cc2ccccc21	817015609	JQEQITBVRJETOF-CQSZACIVSA-N	374.284	4.507	50	20	FJGD	
CCOc1ccc(NNC(=O)c2c(-c3ccccc3)oc(C)c2C)cc1	817899658	PDBDPRFTEGJGEP-UHFFFAOYSA-N	350.418	4.719	50	20	FJGD	
COc1ccc(-n2cc(/C=C(/C#N)c3ncc(C(C)(C)C)s3)cn2)cc1	834441487	KYKLKKGTLSKCHT-DHDCSXOGSA-N	364.474	4.699	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)c1nc(N)c2ccccc2n1	1320814178	IFKINHUDVGGSPE-BENRWUELSA-N	374.350	4.814	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)c1nc(N)c2ccccc2n1	1320814179	IFKINHUDVGGSPE-ZRDIBKRKSA-N	374.350	4.814	50	20	FJGD	
Cc1nnc(/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)o1	1325739824	WWKADBZSEKKKGR-NVNXTCNLSA-N	372.350	4.869	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OC(F)F)c(C)c2)c1	7158542	PPRTVQCCFZJYNV-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
N#C/C(=C\c1ccc(Br)s1)C(=O)c1cccc(Cl)c1	11297559	NNNNUAKYGLOSRS-JXMROGBWSA-N	352.640	4.954	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3	44024414	NPCVTTNCSAUNGR-YRNVUSSQSA-N	369.396	4.618	50	20	FJGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)c(Br)c1	123627259	SUIDFGAOZHQIFL-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1c(Cl)cccc1Cl	133501527	WKQUCZMZCRHYMJ-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
O=C(NNc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1	181239741	OLDCSAIPGBJFSD-UHFFFAOYSA-N	357.335	4.524	50	20	FJGD	
CCCCOc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1OC	741470399	QVMZOQXAUYFCIE-WJDWOHSUSA-N	362.433	4.518	50	20	FJGD	
CC(C)c1ccc(-c2nc(CC(=O)NNc3ccccc3F)cs2)cc1	748055942	ZSKYTYVZMZVISF-UHFFFAOYSA-N	369.465	4.758	50	20	FJGD	
C[C@@H]1CC(=NNC(=O)c2ccc(O)c(Cl)c2)C[C@@H](c2ccccc2)C1	749857560	BPWQJOSJVDILCZ-BBRMVZONSA-N	356.853	4.735	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2F)c1C	770068900	MVGNAMGINNXDBS-SFQUDFHCSA-N	369.440	4.598	50	20	FJGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1c(Cl)cc(Cl)cc1Cl	771436841	BAHVUIGLVLODRX-VIFPVBQESA-N	373.671	4.738	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2csc(-c3ccc(C)cc3)n2)ncn1	773174804	YADJKMJLDNSDGA-VGOFMYFVSA-N	350.472	4.695	50	20	FJGD	
CC(C)(C)Oc1ccccc1NC(=O)NNc1ccc2ccccc2n1	775622968	BJGGGRQDABBMBT-UHFFFAOYSA-N	350.422	4.561	50	20	FJGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)Nc1ccccc1Oc1ccccc1	777464670	ZKPQBPKXCSHJGZ-VBKFSLOCSA-N	359.360	4.559	50	20	FJGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C[C@@H]1C	782978967	GPWNJLLJCYSDNX-AOOOYVTPSA-N	365.389	4.621	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2ncccc2F)c1C	791805347	BRPHMYIPWKZWNM-YAJBTMAUSA-N	369.440	4.651	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1cc(F)c(C(F)(F)F)cc1F	804467449	BZSCYJYDRQRRBD-UHFFFAOYSA-N	370.321	4.619	50	20	FJGD	
Cc1ccc(NNC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)cc1	817709499	SJEHWNVZWBHNOB-UHFFFAOYSA-N	360.461	4.731	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NNc1ccc(F)cc1F	841231526	RJQFURNRCFKLKS-YFHOEESVSA-N	374.387	4.989	50	20	FJGD	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)c2ccc(F)cc2n1	1322615180	DCUVJYNAXGSDJP-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc(Cl)c1OC	6284594	LCPBQPGIFBSVEZ-OVCLIPMQSA-N	371.820	4.546	50	20	FJGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	6366608	KKUNXCMTRKEDJG-NTUHNPAUSA-N	360.244	4.605	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])sc1-c1ccc(F)cc1	102321668	YMBULRHRZKHVQT-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
O=C(CC[C@@H]1CCOC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	176628464	FTSSZKYJOWJBOZ-QMTHXVAHSA-N	367.820	4.661	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(NC(=O)C(F)(F)F)c2)n1	176939715	ICSANDRZDPSZMA-WUXMJOGZSA-N	365.380	4.831	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@H](c2ccccc2)O1	251635345	ISCVNXQKXMOZMO-BPQIPLTHSA-N	365.564	4.689	50	20	FJGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)s1	314873616	YSIACTJYSBSYCC-XFXZXTDPSA-N	362.248	4.648	50	20	FJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1ccc(F)c(F)c1F	728715550	MXAHZJLEWKNZMN-UHFFFAOYSA-N	371.362	4.629	50	20	FJGD	
Cc1cccc(-n2c(C)cc(C(=O)NNc3cc(F)c(F)cc3F)c2C)c1	734553184	BPANODYRQVLGBB-UHFFFAOYSA-N	373.378	4.577	50	20	FJGD	
CC[C@H]1CCCC1=NNC(=O)c1cccc(NN=C2CCC[C@@H]2CC)c1	758363877	YGIXCFMWORYVMD-HOTGVXAUSA-N	354.498	4.961	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)c1	767094387	UIBSQKIWYRMJBL-NVXWUHKLSA-N	350.478	4.733	50	20	FJGD	
C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](Br)C(C)(C)C	768046591	CUVQVOKXEVPUFO-FZMZJTMJSA-N	369.328	4.829	50	20	FJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)NNc1c(F)cccc1F	775657842	SFFKZIQBETVKIN-UHFFFAOYSA-N	363.408	4.737	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(SC(F)F)cc2)cc1	781546005	AHRGVRKYUSCGKD-YBEGLDIGSA-N	365.426	4.648	50	20	FJGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)Nc1cccc2ccccc12	790209452	RJXOUPPDTRATOC-SDXDJHTJSA-N	364.408	4.571	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1	790230921	GKKNWBWZEVSYBD-ATVHPVEESA-N	357.413	4.649	50	20	FJGD	
C#CCOc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1OCC	797398488	HTDNEIJBSQZTTB-LFIBNONCSA-N	366.486	4.915	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2-c2ccnn2C)c(C)c1	801647032	AEMDUWNQJSIHAP-CPNJWEJPSA-N	370.456	4.558	50	20	FJGD	
CC(C)[C@H](CO)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	806402520	WFNSAGNOLJAFTK-JTQLQIEISA-N	362.364	4.730	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1OC	806554649	WVMURCNFEODSLZ-WJDWOHSUSA-N	360.413	4.592	50	20	FJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1nccn1-c1ccccc1	811507403	AOYLXFFIFRWLFZ-QGZVFWFLSA-N	369.896	4.731	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1ccc(F)cc1	811626904	PYAJFSAXFLOABT-VZUCSPMQSA-N	365.147	4.831	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cc(-c2ccccc2)nc2ccccc12	816628042	FQSJOASPLJNERV-UHFFFAOYSA-N	359.256	4.778	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc(NCc2ccco2)s1	821069734	QHCVIXBVOGCNTQ-UHFFFAOYSA-N	371.604	4.857	50	20	FJGD	
C[C@@H](O)[C@H]1CCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	822461494	ZTEODXVGKJNXAD-BXKDBHETSA-N	360.348	4.721	50	20	FJGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccc(C(C)C)cc3)cs2)o1	837056015	QZSMNQQTQKCCMP-UHFFFAOYSA-N	355.463	4.521	50	20	FJGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccccc2Oc2ccccc2)CCO1	846462223	SYZJTYFRZLQGIB-IAGOWNOFSA-N	354.450	4.517	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)c1cccc2ncccc12	1116004148	HPCWRYRVVJSVAF-UHFFFAOYSA-N	357.438	4.727	50	20	FJGD	
Cc1cc(C(=O)NNc2ccccc2Cl)c(C)n1Cc1ccccc1	126981962	HRQGQEDTHIXERO-UHFFFAOYSA-N	353.853	4.564	50	20	FJGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1c(Cl)cccc1Cl	133481454	ARNJVJFFCJCIOB-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1Cl	179608970	TYVBTKQMUCTNKY-IZZDOVSWSA-N	350.176	4.931	50	20	FJGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2cccc3cnccc23)C1	179771696	RKEFSGLIXKIOBM-HKUYNNGSSA-N	369.509	4.834	50	20	FJGD	
O=C(CN1CCCCCC1=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191945326	PRLWXBOAGCXWAY-UHFFFAOYSA-N	372.359	4.685	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)[C@H]1CO	192262236	SDSOJKLLZPWNKB-CABZTGNLSA-N	360.348	4.579	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1occc1Br	735305642	WTWBYDHJIOSZJN-YFHOEESVSA-N	365.614	4.550	50	20	FJGD	
CC(C)CC[C@@H](C)NC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	745256565	IMIVLDMNGXLAIK-MRXNPFEDSA-N	368.481	4.514	50	20	FJGD	
COc1ccc2sc(C(=O)NNc3cccc4c3CCCC4)c(C)c2c1	748573490	AVDDFMFEEPVCLZ-UHFFFAOYSA-N	366.486	4.854	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ncccc2C(F)(F)F)c(C)c1	765503818	YNAQOMAOXNHZKX-ZROIWOOFSA-N	359.351	4.571	50	20	FJGD	
N#CC1=CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1	767160080	MSKCMDBZPRELFQ-UHFFFAOYSA-N	373.843	4.851	50	20	FJGD	
Cc1cnc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)s1	771895408	OFILIDFJKDQXIF-GIJQJNRQSA-N	371.506	4.566	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12	776656365	TXGNIENKOWWESM-PTNGSMBKSA-N	354.365	4.837	50	20	FJGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	780806504	VLVMNZNTASLSEZ-UHFFFAOYSA-N	351.494	4.650	50	20	FJGD	
CCC(C)(C)OCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787515467	QIYDIRICKASVND-AQTBWJFISA-N	364.445	4.643	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1Br)c1cnc2ccccc2n1	790228705	XXYRRBKRYYAMKW-GHXNOFRVSA-N	354.182	4.596	50	20	FJGD	
CCO/C=C(\C#N)C(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1	792552941	RJDPQPMJFSPMJM-LCJXNMAOSA-N	366.383	4.593	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(O)cc(C(F)(F)F)c1	811626962	RKGUFKQHFDCHLL-MKMNVTDBSA-N	360.335	4.574	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc2c(c1)CCCC(=O)N2	812932714	CXDCTWCFVGFAEM-UHFFFAOYSA-N	366.465	4.542	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	912596724	WATATIFNISLBDL-UHFFFAOYSA-N	362.273	4.790	50	20	FJGD	
CC[C@@H](C)C(C)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	916295262	OBRGALBKUPKHMR-CYBMUJFWSA-N	370.522	4.538	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	917515856	BYZCPCHSWIVVIP-VKAVYKQESA-N	358.397	4.891	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(CC)oc3ccccc23)n1	920386575	CFFKOASKGSUNCK-FMIVXFBMSA-N	352.415	4.693	50	20	FJGD	
COc1ncccc1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183387579	NLKMZLWKXSUAOJ-UHFFFAOYSA-N	354.300	5.000	50	20	FJGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2ccc(C(F)(F)F)cc2)s1	187088749	ZKLFFVKVDKLJHJ-UHFFFAOYSA-N	365.380	4.827	50	20	FJGD	
COc1cccc([C@@H](C)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	195601764	UJKSAZCYURCSEO-SECBINFHSA-N	373.667	4.902	50	20	FJGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)c1ccccc1[N+](=O)[O-]	225721893	YENFICGRYAKZDX-CHWSQXEVSA-N	355.481	4.913	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	733780813	VSGVLANZWLTVDB-ILQQWDEPSA-N	360.335	4.967	50	20	FJGD	
C[C@@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1C(F)(F)F	743454962	GPOVKDGGAAXJHQ-JTQLQIEISA-N	358.310	4.621	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)c1	748365626	GXARASXVCDQXDS-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC	749453722	VBEKJSIPNBHJNF-VQCBNXJZSA-N	353.393	4.801	50	20	FJGD	
C[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)s1	750234039	YTQABOFYUBTKDI-SECBINFHSA-N	366.273	4.850	50	20	FJGD	
CCCc1c(C(=O)NNc2ccc(Cl)cc2)cnn1-c1ccccc1C	760856372	QARZCICPOKBDCU-UHFFFAOYSA-N	368.868	4.544	50	20	FJGD	
CSCc1c(C(=O)NNc2c(F)cccc2Cl)oc2ccccc12	770196431	BBBYTOLOZKBKCR-UHFFFAOYSA-N	364.829	4.845	50	20	FJGD	
CCc1nc2cc(NC(=O)NNc3ccc(C(F)(F)F)cc3)ccc2o1	775625891	RCSDCGNATFNQSG-UHFFFAOYSA-N	364.327	4.558	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3ccccc3F)o2)ccc1Cl	790171329	JCAILUUAXSSEOT-UHFFFAOYSA-N	360.772	4.505	50	20	FJGD	
COc1cc(NNC(=O)C(C)(C)c2ccc(Cl)cc2F)ccc1Cl	790172528	WVYMUTKHBKALQN-UHFFFAOYSA-N	371.239	4.562	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1OC	790228105	QDCHBLBLCXYCSY-QAEAHILHSA-N	359.429	4.880	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CCC[C@H]2C[C@@H]21	806184202	VOPDIDSVMUDNKV-GAFUQQFSSA-N	364.820	4.922	50	20	FJGD	
N#C/C(=C\c1cc(Br)cc(C(F)(F)F)c1)C(=O)c1ccoc1	806557588	DXANPBSOSNDZFE-QDEBKDIKSA-N	370.124	4.851	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(-c2ccc(F)cc2)noc1C	812767931	WTGDZHVYRDTZFI-UHFFFAOYSA-N	367.424	4.978	50	20	FJGD	
COc1ccccc1-c1nnc(SCCO[Si](C)(C)C(C)(C)C)o1	821063777	MKACIJDFGVGLOL-UHFFFAOYSA-N	366.559	4.859	50	20	FJGD	
COc1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1OC(C)C	831899101	DJQDCWNEPMGWPA-UHFFFAOYSA-N	356.466	4.537	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1	861610737	BYBMOKWPPWVKTP-UHFFFAOYSA-N	358.441	4.600	50	20	FJGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C2CC2)cs1	864095980	RGDGICLIBLXHJH-VZUCSPMQSA-N	363.345	4.594	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)cc1OC	916348381	XWHOBPNYSYFDAD-IRXDYDNUSA-N	372.509	4.950	50	20	FJGD	
Cc1ccc(NNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1	916997750	ARXFCGGBRKSQER-NSHDSACASA-N	355.290	4.926	50	20	FJGD	
O=C(NCC1CCC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918213055	FQRWSCBLRLWFHY-GFCCVEGCSA-N	352.809	4.828	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Cn2cccn2)cc1	918619171	OUGKPWLSZYVLPA-QGZVFWFLSA-N	361.536	4.584	50	20	FJGD	
C[C@H]1CCC(=O)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	930846116	VSCGZRRNUBOAHQ-VIFPVBQESA-N	358.332	4.929	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2cc(C)oc2C)c1C	1318053729	ATJVLTULURFAFF-BKQORJHRSA-N	353.466	4.509	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(CCC(F)(F)F)cc2)cc1Cl	1320092495	HTKDSJXBBXFKAM-UHFFFAOYSA-N	356.775	4.900	50	20	FJGD	
CCO/C=C(\C#N)c1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1	1325768908	DYZKIEHBMNQDGE-YPDDLIOESA-N	357.479	4.850	50	20	FJGD	
CCC[C@H](CC(=O)O)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1	1776830321	WXCKEEYJXJEIIT-MRXNPFEDSA-N	351.563	4.804	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccccc1F	8201925	FHSOQQQYSVYJPY-SDNWHVSQSA-N	362.316	4.784	50	20	FJGD	
CCc1ccc(-c2csc(/N=C(O)/C(C#N)=C/c3cccn3C)n2)cc1	23740946	PARLALFKGGNDBE-LFIBNONCSA-N	362.458	4.906	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc(Br)c2)c1C	45110673	ONNHCXHLUFYYPC-AWNIVKPZSA-N	361.264	4.673	50	20	FJGD	
CC1(C)Cc2cccc(/C=C(/C#N)c3nc(-c4ccncc4)cs3)c2O1	78022888	NAOLCPPLFGZNMJ-YVLHZVERSA-N	359.454	4.983	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ncccc3C(F)(F)F)c[nH]c2c1	119631411	HKNSWJJGILPLBT-XYOKQWHBSA-N	355.319	4.680	50	20	FJGD	
Cc1cc(C(=O)NNc2cccnc2Cl)sc1-c1ccc(F)cc1	128359843	UNLKDTRATSHKNT-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1c(Cl)cccc1Cl	141402460	BCMYJACLZRZKQB-UXBLZVDNSA-N	364.257	4.873	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)[nH]c2c1C(=O)CC(C)(C)C2	181135267	WGQOILZRTNYYCE-UHFFFAOYSA-N	367.493	4.533	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC(F)F)cc1	209993989	SZNTWHMYEXIZRZ-XFFZJAGNSA-N	366.339	4.825	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Br)s2)c1	730436637	UFTKBCUBNAUVET-WQLSENKSSA-N	362.248	4.699	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3occc3Br)c[nH]c2c1	735304032	DCVGSFYZNPQJNK-YRNVUSSQSA-N	355.191	4.622	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2O)c(C)n1CC(C)C	736682726	NZKMHZSNRREPLW-CXUHLZMHSA-N	371.868	4.666	50	20	FJGD	
C[C@H]1CCC[C@@H](C)N(CCP(=O)(c2ccccc2)c2ccccc2)C1	741796347	YUJRXMBVXYCDRS-VQTJNVASSA-N	355.462	4.511	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1ccc(C(F)(F)F)cc1	747598133	HGDQGCSWZQPCTL-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
CCCCN(CC)c1ccc(C(=O)NNc2cccc3cnccc23)cc1	748763995	QIOXZPNVCFLWMB-UHFFFAOYSA-N	362.477	4.618	50	20	FJGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)Nc1ccc(Cl)cc1	761377023	PRPXRUCOFKHUHK-JXMROGBWSA-N	357.797	4.634	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(-c2ncco2)c1	775691652	BYTCDOKZFFSEFX-UHFFFAOYSA-N	363.204	4.797	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)c(C)c1	778393091	YLKFZXFWNGQHMK-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	780307287	HBGBZUDFKZNLSS-UHFFFAOYSA-N	372.749	4.673	50	20	FJGD	
Cc1ccc(C)c(SCc2cccc(C(=O)N3CC=C(C#N)CC3)c2)c1	780689302	XREHDWMXUXXJBF-UHFFFAOYSA-N	362.498	4.892	50	20	FJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	787170085	VIMHAWUSRKGYMU-MIKCAUBTSA-N	361.401	4.704	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2c(F)cccc2F)cc1)c1ccccc1	788512840	KFOOJPDGXMPIFP-AWEZNQCLSA-N	368.383	4.862	50	20	FJGD	
Cc1onc(-c2cccc(Cl)c2)c1C(=O)NNc1cccc(Cl)c1	794912571	JSLAVMZBFYWRLW-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CCCN(N=C(C)c1ccc(OC(F)F)c(OC)c1)C(=O)OC(C)(C)C	794997209	RIWIDYDNMPSVJF-UHFFFAOYSA-N	372.412	4.668	50	20	FJGD	
Cc1ccc(NNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)cc1	806397046	KVEIISIWRUFYNC-UHFFFAOYSA-N	365.260	4.798	50	20	FJGD	
Cc1cc(F)ccc1-c1ccc(C(=O)N(C)CC(Cl)Cl)cc1F	808248876	VQYKQHQBWNVHQX-UHFFFAOYSA-N	358.215	4.816	50	20	FJGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(C2CCCC2)cc1	810542761	SGQASDSWAQNWNN-UHFFFAOYSA-N	373.909	4.629	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cn(C)nc3C(F)F)n2)cc1	812241728	LQQDREKRBTUOOF-KPKJPENVSA-N	372.400	4.554	50	20	FJGD	
CN(CC1(C)COC1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	860935422	SXKWXKWEXMIYQH-UHFFFAOYSA-N	360.348	4.844	50	20	FJGD	
Cc1ccccc1NNC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1	865511581	DBDDILJYMXRZMI-UHFFFAOYSA-N	365.502	4.928	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C)c(C)s2)c1C	884137080	CVDVRNFAGSMSDE-YVLHZVERSA-N	356.495	4.524	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csc([N+](=O)[O-])c2)cc1	917146131	YJVPVWZWCPBIOE-IYVNWDGISA-N	355.419	4.715	50	20	FJGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)C(=O)Nc1nccs1	917211803	IGJGEPLUQZIHDB-QBFSEMIESA-N	351.431	4.778	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1cc2c(F)cccc2s1	918320676	XWPLVZYVPXTENS-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OC(C)C)cc1	7159271	PTXMYPROVQKLAO-QGOAFFKASA-N	364.445	4.590	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1	126679971	IAIHRBPUUYQERP-UHFFFAOYSA-N	373.815	4.816	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F	134862575	PKUIPXFHCDEIEB-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CC(C)Oc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1	252635880	XAYSJIGMRTWSFV-UHFFFAOYSA-N	351.233	4.545	50	20	FJGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cn1	588577932	KSOQLUFONMFBMT-ZSOIEALJSA-N	357.816	4.509	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(COCC)c2)c1C	726508493	QKENXRAFAYOVDY-DEDYPNTBSA-N	365.477	4.597	50	20	FJGD	
C/C(=C\C(=O)NNc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1	733362040	MAEZWQMOFSOBRY-CSKARUKUSA-N	356.294	4.530	50	20	FJGD	
Cc1c(C(=O)NNc2cnnc3ccccc23)oc2c1ccc1ccccc12	733810670	ULMWBBZMLBKCBT-UHFFFAOYSA-N	368.396	4.595	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1occc1Br	735305863	YURGDULHCOGSLJ-FLIBITNWSA-N	355.191	4.622	50	20	FJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1F	739426119	IQDHBIKTJCKQTM-WJDWOHSUSA-N	361.420	4.943	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)[C@H](c2ccccc2)CO1	742970971	IXMHFDASZMWRIA-NJAFHUGGSA-N	365.564	4.689	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1	744502154	NEHDVKZSBPKJGD-JJBLJPBOSA-N	373.412	4.565	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC	749449970	BAVYRJXMIMVYMQ-JIHKLPAASA-N	364.445	4.727	50	20	FJGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c(Cl)c1	751260972	PUIFZUJUJCOUNZ-UHFFFAOYSA-N	358.290	4.621	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1ccc(SC(F)F)cc1	755404163	KXKUDKBGMKKXRR-VZUCSPMQSA-N	366.339	4.825	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c2ccccn12	755627572	VNGCLCKSHDDBCL-SDNWHVSQSA-N	364.836	4.657	50	20	FJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccc(Br)cc1	756017870	MAOPQNSKKFOVJU-ZHACJKMWSA-N	365.658	4.649	50	20	FJGD	
O=C(NN=Cc1ccc(SC(F)(F)F)cc1)c1c[nH]c2ccccc12	767051566	HDPLHMODVVBKFE-UHFFFAOYSA-N	363.364	4.544	50	20	FJGD	
CC(C)(C(=O)NNc1ccc(Br)cc1)c1ccc(Cl)cc1	768934845	SMOWRKVJBAZRDU-UHFFFAOYSA-N	367.674	4.523	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1	771697423	QJEPUFHJYYIPIV-DOTOQJQBSA-N	350.478	4.733	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3ccc(C(C)(C)C)cc3)c2C)cc1	780804381	AXTZQSADRWCKEG-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ncsc1C(F)(F)F	801648194	OECWIXPUGAICQK-UHFFFAOYSA-N	363.364	4.645	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(C)c1OC	806553975	FRDYAFLHDVOKMN-GDNBJRDFSA-N	370.836	4.520	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)Cc1cncc2ccccc12	812764690	CBGTXPBHQRDEQO-QGZVFWFLSA-N	361.489	4.989	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1	812770104	HBUWSFOZWLMYCQ-UHFFFAOYSA-N	364.493	4.707	50	20	FJGD	
O=C(NNc1ccccc1Oc1ccccc1)C1(C(F)(F)F)CCC1	846462564	UTXTYMDGSUTAJY-UHFFFAOYSA-N	350.340	4.655	50	20	FJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)oc12	915848190	WPAZCSRZOGYUGL-UVTDQMKNSA-N	366.804	4.949	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C(=O)O)s3)n2)cc1	1777342907	GPXMXWHYQZHPSK-WQLSENKSSA-N	368.439	4.643	50	20	FJGD	
C[C@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1ccc2ccccc2c1	84632435	VUGXKHVPUVUAOS-LBPRGKRZSA-N	359.351	4.500	50	20	FJGD	
O=C(NNc1ccccc1)c1ccccc1OCc1ccccc1Cl	97637589	ZYHRMNFEDYRQCY-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(OC(F)F)cc2)sc2cccc(F)c12	121806655	MIGJQUKMLFMVDM-UHFFFAOYSA-N	366.364	4.707	50	20	FJGD	
Cc1cccc(NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	173225059	JZOHXBGHTVHIMU-UHFFFAOYSA-N	360.417	4.520	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(Cl)cc1F	179608098	SGLOSNOPMKIJPW-NTUHNPAUSA-N	369.758	4.594	50	20	FJGD	
C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192985365	BYOBZWFEBUNKHN-SNVBAGLBSA-N	372.359	4.684	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3nc(-c4ccccc4)c[nH]3)c[nH]c2c1	193131078	QMZVHXRQTZQRRL-YBEGLDIGSA-N	352.397	4.656	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1cccc(F)c1	734863325	RWNUIDVGKQHGOS-LBPRGKRZSA-N	357.816	4.664	50	20	FJGD	
COc1ccccc1-c1ccc(C=NNC(=O)CCCc2ccccc2)cc1	741463167	BHRLMUCXLYITGI-UHFFFAOYSA-N	372.468	4.835	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cncc(-c2ccccc2)c1	748018310	PBQCKUJAYZBUON-UHFFFAOYSA-N	358.228	4.812	50	20	FJGD	
O=C(NNc1ccccc1F)C1(c2ccc(Cl)c(Cl)c2)CCC1	748050927	YLIYZSXZYPNBLW-UHFFFAOYSA-N	353.224	4.698	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1OC	749450630	AWMXAALGGAZMIJ-SWEABUAFSA-N	353.393	4.801	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2Cl)c1C	761392705	OISQEJQUTHQXKP-OQLLNIDSSA-N	369.827	4.969	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(F)c(C#N)c3)n2)cc1	770572455	ISQZCNBNYWDHSX-SXGWCWSVSA-N	361.401	4.894	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2ccccc2Cl)n1	771689610	WAWFOPFCWLRFBJ-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3ccccc3OC(F)F)cc2c1	775639224	MNNCGFNCDVCBIS-JLHYYAGUSA-N	369.323	4.833	50	20	FJGD	
Cc1c(C(=O)NNc2ccccc2OC(F)(F)F)oc2c(F)cccc12	779208980	IOCIOWLVKYQUQT-UHFFFAOYSA-N	368.286	4.536	50	20	FJGD	
Cc1cccc(C(=O)NN=Cc2c(Cl)cccc2Oc2ccccc2)n1	794571525	DERQSCROFKDVTK-UHFFFAOYSA-N	365.820	4.600	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2cccc3cccnc23)cc1	806970403	KGTKLXNTCRDGDN-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1ccccc1C(F)(F)F	849614344	YHTUAPWVCJUUTF-LLVKDONJSA-N	364.458	4.863	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(F)c2)c1C	915736896	AAONCWARKLCIJQ-GZTJUZNOSA-N	369.440	4.598	50	20	FJGD	
COc1ccc2ccccc2c1C=NNC(=O)Cc1cccc2ccccc12	916661197	YVESBQSDGQBYQE-UHFFFAOYSA-N	368.436	4.694	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cccc3c2OCCO3)cc1	917516623	BPXISXTZOYQPHB-COYFKBPASA-N	362.429	4.517	50	20	FJGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c1	917622391	POFNOGUHAIRXQI-UKTHLTGXSA-N	357.196	4.686	50	20	FJGD	
CC(C)Oc1ccccc1CNC(=O)CCCC[C@H]1CCSS1	918378179	NFNGWNOWJZEMGS-INIZCTEOSA-N	353.553	4.804	50	20	FJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccccc1Br	5770265	JXKUOVHEVBORQG-XFXZXTDPSA-N	361.626	4.648	50	20	FJGD	
Cc1ccc(CC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cn1	58089775	AEHLPTRHIXIRFK-HNNXBMFYSA-N	374.815	4.791	50	20	FJGD	
Cc1ccnc(NNC(=O)c2ccccc2SCc2cccs2)c1	88424744	MGHJDRGPYUBFHF-UHFFFAOYSA-N	355.488	4.501	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1	150846776	PKFLSYBQHJSQKB-UHFFFAOYSA-N	367.405	4.761	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1csc(-c2ccccc2)n1	153588269	DFPXTTMOWPPTOI-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2ccccc2OCc2cccnc2)ccc1[N+](=O)[O-]	180571372	SNMOBFWTPXMLOD-UDWIEESQSA-N	371.396	4.941	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H]1CO	190284891	XDBYLPVKXDDLNH-JOYOIKCWSA-N	360.348	4.579	50	20	FJGD	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3cccs3)n2)cc1	212388113	MJNKYPPASBRZPF-GDNBJRDFSA-N	365.483	4.980	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	726594156	HOOASDIIHQHAND-VZWMTCDZSA-N	351.406	4.525	50	20	FJGD	
Cc1ccc2oc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2n1	729166585	UVBAWLCAWFBGLZ-UHFFFAOYSA-N	370.623	4.853	50	20	FJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C(C(C)C)C3CCCCC3)sc2n1	733907864	WMYXKZBPNUPMFQ-UHFFFAOYSA-N	372.538	4.817	50	20	FJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1ncccc1Cl	734247299	CBSLQQRGAUDGCI-UHFFFAOYSA-N	358.656	4.508	50	20	FJGD	
CC[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccc(Cl)cc1	734657017	URVLNFOAORKHSZ-CQSZACIVSA-N	357.763	4.535	50	20	FJGD	
CC[C@@]1(C)CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	744419262	HTVMKYQSKREMBO-QFIPXVFZSA-N	355.462	4.513	50	20	FJGD	
COCCN(C(=O)CCCC[C@@H]1CCSS1)[C@@H](C)c1ccccc1	745941246	JGOYUCJGYLJXGH-FUHWJXTLSA-N	367.580	4.937	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(N3CCCC3)nc2)cc1	758415977	BGDYIOBLHCTTKD-RGEXLXHISA-N	359.473	4.769	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761390067	BFUZAQGWNZQFSW-JXMROGBWSA-N	367.257	4.999	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ccc(-c2ccsc2)cc1	768758472	VSGJDEUDHQTURR-ODLFYWEKSA-N	361.422	4.771	50	20	FJGD	
O=C(NNc1ccccn1)Nc1ccccc1Oc1ccccc1Cl	770333314	GKHCHXUEIHAPSZ-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2c[nH]nc2-c2c(F)cccc2F)ccc1[N+](=O)[O-]	774558496	KWMZYSVWIRVNLC-MDWZMJQESA-N	366.327	4.636	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cc2c(Cl)cccc2s1	777465356	KACHZNRKQNLQFA-UHFFFAOYSA-N	353.834	4.860	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(-c2ccccc2F)o1	777476396	CINKRSVRGIQLFS-UHFFFAOYSA-N	361.376	4.699	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CCO[C@@H](CC)C1	781600764	LMQWMBLQOHHWOZ-YOEHRIQHSA-N	360.523	4.918	50	20	FJGD	
Cc1ccc(SCC(F)(F)F)c(NC(=O)NNc2ncccc2C)c1	792315573	MICKBNLUVFUSAU-UHFFFAOYSA-N	370.400	4.501	50	20	FJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)Nc1nc2ccccc2nc1Cl	794685703	JFPLIORXQRIGNS-UVTDQMKNSA-N	374.787	4.575	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)c(OC)c3)n2)cc1	799497139	IPSAZPWIIKGXIN-RQZCQDPDSA-N	373.437	4.763	50	20	FJGD	
CSc1cccc(F)c1CNC(=O)CCCC[C@@H]1CCSS1	803381614	BUEZPENKZNHHNK-GFCCVEGCSA-N	359.557	4.878	50	20	FJGD	
COC(=O)Nc1ccc(NCc2ccc(OCCCCl)cc2)cc1F	811488805	MBMKTMRKPALOPS-UHFFFAOYSA-N	366.820	4.624	50	20	FJGD	
Cc1c(C(=O)/C=C/c2ccc(OCCCCl)cc2)cnn1C(C)(C)C	811690780	HQPSZWMAVNWMOZ-DHZHZOJOSA-N	360.885	4.850	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)[C@H]1OCCc2sccc21	816782356	SYIZVKCZHZSEAH-IFXJQAMLSA-N	358.507	4.573	50	20	FJGD	
CC(=O)N(C)C1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC1	891817996	HACFVYBVVQGZMW-UHFFFAOYSA-N	372.403	4.787	50	20	FJGD	
CCN(CC)Cc1csc(NC(=O)CCCC[C@@H]2CCSS2)n1	919756206	HOXAKRDFGVZEDM-CQSZACIVSA-N	373.613	4.638	50	20	FJGD	
Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCl	1116437409	BBBHOADZYFHHGI-UHFFFAOYSA-N	359.832	4.909	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1c(Cl)cc(F)cc1Cl	126227046	SEPHKCHZHLKOBB-UHFFFAOYSA-N	352.196	4.679	50	20	FJGD	
COc1sc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1Br	178982221	OVTMJDBXHPCKNW-WEVVVXLNSA-N	368.277	4.679	50	20	FJGD	
CCCCN(CCO)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181782438	DRQOPSKTTUWUFC-UHFFFAOYSA-N	362.364	4.970	50	20	FJGD	
CC1CCN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	192984818	DOSOIIZOUDBCHW-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)cc1	206948966	DXOOAEKCRLGIMQ-ZHZULCJRSA-N	369.424	4.515	50	20	FJGD	
C=CCOc1ccccc1CNC(=O)CCCC[C@@H]1CCSS1	303521235	QCYWBQWPYQFHMZ-MRXNPFEDSA-N	351.537	4.582	50	20	FJGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)c1c(Cl)cccc1Cl	733219717	FBKRLXVSKLICOS-CYBMUJFWSA-N	371.308	4.751	50	20	FJGD	
C[C@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1cccc(F)c1	734863323	RWNUIDVGKQHGOS-GFCCVEGCSA-N	357.816	4.664	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3coc(-c4ccccc4)n3)n2)cc1	749891520	MHTBCOMAENDUEN-BOPFTXTBSA-N	354.369	4.764	50	20	FJGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(C(F)F)cc1	753184207	CKFSVCIUHVOXHL-UHFFFAOYSA-N	369.209	4.706	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]1c1cccc(F)c1F	791734648	NHFMFMOJHCTVFF-STQMWFEESA-N	357.187	4.518	50	20	FJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	798344474	GVLBAQVUQWFPFR-GHXNOFRVSA-N	363.248	4.625	50	20	FJGD	
Cc1nc(-c2ccc(C(=O)NNc3c(F)cccc3Cl)cc2)cs1	799367067	AEYWKEKXGAXBCI-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
COCCOCc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	809145588	AVVKVCUWBOYRCP-YBEGLDIGSA-N	368.433	4.663	50	20	FJGD	
COc1ccc(NNC(=O)c2cc(C)c(C)cc2Cl)c(C(F)(F)F)c1	816701783	KMVBWINHPQGVMN-UHFFFAOYSA-N	372.774	4.741	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1	817915350	JDKFOVSSJSAZPR-UHFFFAOYSA-N	364.470	4.669	50	20	FJGD	
CN(NC(=O)c1oc2ccccc2c1CSc1cccs1)C1CC1	819646229	ORIZKTRCYQKOBG-UHFFFAOYSA-N	358.488	4.526	50	20	FJGD	
N#C/C(=C\c1cc(Br)cnc1Cl)C(=O)C1CCCCC1	843269590	PTEPHKBPHYRPRW-WUXMJOGZSA-N	353.647	4.554	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccc(F)c(Cl)c2)c1C1CC1	860840660	RGMYAQZKKXLFID-SNVBAGLBSA-N	365.840	4.673	50	20	FJGD	
O=C(NN=C/C=C/c1ccccc1)c1cc(-c2ccco2)nc2ccccc12	916283649	MBLQBNUOCKTCPV-UGFJEYFVSA-N	367.408	4.924	50	20	FJGD	
CCc1cccc2c(C=NNC(=O)c3ccc(Cl)cc3Cl)c[nH]c12	916359896	GOBHODWQFHJCLR-UHFFFAOYSA-N	360.244	4.801	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(F)c2)cc1Cl	921259297	MJJNCTYPWNPCDF-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	1337986347	BCYLSFJWNGBTGF-PDGQHHTCSA-N	357.365	4.743	50	20	FJGD	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	6430862	JYOCWRAGSFTQBF-RIYZIHGNSA-N	352.242	4.640	50	20	FJGD	
O=C(CC[C@H]1CCCO1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	129675070	VDWZHBRKFOYQMI-QMTHXVAHSA-N	367.820	4.804	50	20	FJGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(-c2ccccc2)cc1	153042058	QSSARNXNMPGKNY-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)c1ccco1	212652989	RGWVOMIJJZZCFK-FLIBITNWSA-N	368.732	4.891	50	20	FJGD	
CC(C)(C)c1ncc(C=NNC(=O)c2c(Cl)cccc2Cl)s1	727779240	TYNNTOIUAFMKID-UHFFFAOYSA-N	356.278	4.511	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)c1ccc(Br)s1	730435634	FEZSUWAXHUXRCJ-WEVVVXLNSA-N	365.277	4.634	50	20	FJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)s1	731157154	SOBVBEABQVPWJF-LUAWRHEFSA-N	350.365	4.875	50	20	FJGD	
Cc1cc(NNC(=O)c2cc3cccc(C)c3o2)ccc1Br	734252964	MDBIUIMBSGXKLT-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(Cl)cc1Cl	743805190	LZFBGLKUVFTRBP-UHFFFAOYSA-N	353.234	4.752	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1coc2ccccc12	746522035	KECJAXIAKLFWRR-MDWZMJQESA-N	366.804	4.949	50	20	FJGD	
Cc1ccc([C@H](C)NCCP(=O)(c2ccccc2)c2ccccc2)s1	754658986	BOHMBUISRDMWMN-SFHVURJKSA-N	369.470	4.721	50	20	FJGD	
CSc1cc(/C(C#N)=C\c2ccc(Cl)c(Br)c2)ncn1	773169899	AUPNKPHBLKWIOV-WMZJFQQLSA-N	366.671	4.679	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(OCC4CC4)cc3)n2)cc1	790101304	WCGABUVKWSUKCH-XDHOZWIPSA-N	357.413	4.898	50	20	FJGD	
CC(C)(C)n1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1C1CC1	791734119	QKYAGEHZIYRSPB-UHFFFAOYSA-N	367.280	4.579	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)C(=O)c1ccsc1	799891698	RIDARIZFVVHKPY-WEVVVXLNSA-N	354.175	4.579	50	20	FJGD	
CCOc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1OCC	812768564	WKOBXUGBTZRYQY-UHFFFAOYSA-N	356.466	4.673	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)c1csc(-c2ccc(Cl)cc2)c1	815983919	XYGSVIGCQMHRTG-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Oc1nc(CCCCl)nc2sc3c(c12)CC[C@H](c1ccccc1)C3	824021500	IQYAULGDWVHMRT-ZDUSSCGKSA-N	358.894	4.841	50	20	FJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@H](CO)c1ccc(Cl)cc1	836797602	VEWWJTZWPNWQBR-JKSUJKDBSA-N	373.971	4.546	50	20	FJGD	
CC1(C)CNCC[C@H]1NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841190702	RFCJUSTZDWJFDC-GFCCVEGCSA-N	373.391	4.854	50	20	FJGD	
N#C[C@H](C(=O)CCCC[C@H]1CCSS1)c1nc(C2CC2)cs1	842937675	GCSYRPOGJWWXEM-QWHCGFSZSA-N	352.550	4.911	50	20	FJGD	
COc1ccc([C@H](NC(=O)CCCC[C@@H]2CCSS2)C2CC2)cc1	913497998	LYGFFBZIUKHCOT-IEBWSBKVSA-N	365.564	4.977	50	20	FJGD	
O=C(NN=Cc1cccc2ccccc12)c1ccc(COc2ccccc2)o1	916360345	QCWUFMMJQMZAKQ-UHFFFAOYSA-N	370.408	4.776	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2F)cc1	1776271672	VEAOPENLTVIWNR-PTNGSMBKSA-N	351.377	4.611	50	20	FJGD	
CCCOc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)cccc1OCC	7156577	QYIBLVSZKRKZHX-DTQAZKPQSA-N	368.408	4.559	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)c1ccc(Br)s1	128795929	MAKJHPXBKJWDCB-BAQGIRSFSA-N	372.165	4.718	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cnn(Cc4ccccc4)c3)c[nH]c2c1	141799022	RUSWZWMFZMMDFZ-VXLYETTFSA-N	366.424	4.511	50	20	FJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1ccc(F)c(F)c1F	156153964	NWJFICDGIOUVFB-UHFFFAOYSA-N	366.408	4.919	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1c(CC)oc2ccccc12	212085408	QFCBOFHPHIMVMU-SQFISAMPSA-N	360.413	4.940	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c2c(c1)C[C@@H](C)O2	728439820	GHOHHNAIZQISJB-CNGOAVBNSA-N	372.424	4.598	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)c1	748421199	XJCNFCUMBAQREW-UHFFFAOYSA-N	361.367	4.571	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c(C(C)(C)C)n1	769552360	VWGLHXPPBXNKIL-LFYBBSHMSA-N	362.260	4.814	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(SC(F)F)c1	775596621	KMMVJSSEERQAIX-UHFFFAOYSA-N	360.389	4.698	50	20	FJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCC[C@@H](C(F)(F)F)C2)cc1	783511255	DOVDZZCHXBAFFA-OAHLLOKOSA-N	370.415	4.950	50	20	FJGD	
C=CCCN(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	786058441	QMNLSOUQGRQDGF-GFCCVEGCSA-N	352.809	4.946	50	20	FJGD	
C[C@@H](c1nnc(-c2cccs2)o1)N(C)CCO[Si](C)(C)C(C)(C)C	844345006	AIHPFVGIAKXQQN-ZDUSSCGKSA-N	367.591	4.813	50	20	FJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1(CO)CCC1	887959934	LPABROSTOCTSOX-UHFFFAOYSA-N	360.348	4.723	50	20	FJGD	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccccc1	915841610	OIDXWWYNDSWREU-PTNGSMBKSA-N	365.795	4.763	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)cc1OC	916348378	XWHOBPNYSYFDAD-DLBZAZTESA-N	372.509	4.950	50	20	FJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	917145643	UJRVAGKUNDZBJI-WDZFZDKYSA-N	365.191	4.687	50	20	FJGD	
COc1cc(C(=O)NN=C(C)CCc2cccc(C)c2)ccc1OC(C)C	920365879	BTFZSLALSPHZAM-UHFFFAOYSA-N	368.477	4.529	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)c(Cl)n1	1338400980	ZRYLICPUNCPMPH-RQZCQDPDSA-N	370.884	4.663	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)c(Cl)s2)cc1	1776127398	RSQLHOGLJCNKEN-JYRVWZFOSA-N	359.834	4.842	50	20	FJGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C)cc2)CCC1	1787701016	FLDCIQKPDHWNKO-INIZCTEOSA-N	364.917	4.574	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3cccc(C(F)(F)F)c3)c2c1	103277021	IKNCXYCWJWKMPB-UHFFFAOYSA-N	364.323	4.526	50	20	FJGD	
O=C(NNC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1	115639086	FRZSUSQASKFFHI-UHFFFAOYSA-N	373.627	4.505	50	20	FJGD	
O=C(NNc1cccc2cnccc12)c1cc2ccccc2c2cccnc12	178505318	TVNOJTGVTXKNIE-UHFFFAOYSA-N	364.408	4.693	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)c1ccsc1	255435076	MTJYDQKVEXYAQX-XYMPBJBSSA-N	373.861	4.749	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@H]1CCSS1)Oc1cccc(Cl)c1	742140615	DVTGLLPTHQNNMQ-BBRMVZONSA-N	373.971	4.938	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3occc3C)c3ccccc3n2)cc1	743422092	QJAXGPPCHJZHFK-UHFFFAOYSA-N	369.424	4.876	50	20	FJGD	
Cc1cccc(NNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc23)c1	750231979	CYCNUZUMJPCUHV-ZDUSSCGKSA-N	371.893	4.821	50	20	FJGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccnc3cc(Cl)ccc23)o1	761491263	SQKQFMUTNMUDRL-LRDDRELGSA-N	369.852	4.681	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCOC2(CCCCCC2)C1	763801717	BLYFYZXACBTRJP-MRXNPFEDSA-N	357.585	4.652	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)c(-c2cc3ccccc3o2)n1	772180399	WPNLTYXVPZBIBT-CXUHLZMHSA-N	371.371	4.762	50	20	FJGD	
CCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772956511	ZVVOFNJRLNGIOD-JTQLQIEISA-N	374.375	4.930	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccn2Cc2ccccc2C#N)c1	782197223	QBYZNECGVAIASH-XKZIYDEJSA-N	365.436	4.815	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cn4cc(C)ccc4n3)n2)cc1	789127376	JIDIRCVEQIINAN-SXGWCWSVSA-N	372.453	4.839	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)c(C(F)F)n1	812241980	PMCITBHXHMTYPY-XBXARRHUSA-N	350.781	4.685	50	20	FJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)c1ccc([N+](=O)[O-])cn1	812245183	NRYLDMWFNDSYBG-DHZHZOJOSA-N	353.284	4.592	50	20	FJGD	
Cc1noc2nc(C(C)C)cc(C(=O)NNc3ccc(C(C)C)cc3)c12	837055903	OHFUPGOFAJGTLI-UHFFFAOYSA-N	352.438	4.535	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccsc3)cs2)cc1	915989568	KAKAKVUIBUTGIF-ZSOIEALJSA-N	352.440	4.670	50	20	FJGD	
COc1ccccc1C1(C(=O)NNc2c(Cl)cccc2Cl)CCC1	1323947029	BSAIVZPDWCQGPM-UHFFFAOYSA-N	365.260	4.567	50	20	FJGD	
CC(C)[C@H](CNC(=O)CCCC[C@@H]1CCSS1)c1cccnc1	176340698	SYFCHPPQYVGYCU-SJORKVTESA-N	352.569	4.652	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1OC(F)F	194530568	ZLTWNYRJDPXPAN-NTEUORMPSA-N	361.319	4.616	50	20	FJGD	
CN1/C(=C/C=C(/C#N)C(=O)Nc2ccc(F)cc2)C(C)(C)c2ccccc21	211406154	AFRZTRWDCZVOMX-HPEDDFEDSA-N	361.420	4.526	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	213102470	RGBFZJFVDVDEJW-NVNXTCNLSA-N	369.808	4.719	50	20	FJGD	
O=C(NNc1ccccc1F)c1nc(-c2ccccc2)oc1-c1ccccc1	748049181	ADWFEPKXSPNKTP-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N(CC1CCC1)CC(F)(F)F	752489963	JLZDRXOEBOWOEJ-CYBMUJFWSA-N	355.491	4.892	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2)nc1O	752811148	ROVXSZQYXPQSCT-UHFFFAOYSA-N	374.227	4.518	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)c1ccccc1COc1ccccc1	770204019	YGYGQADIZSCCPL-UHFFFAOYSA-N	370.811	4.815	50	20	FJGD	
COc1cc(NNC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl	790170001	GNHHNSWLDLKHJH-UHFFFAOYSA-N	366.848	4.624	50	20	FJGD	
Cc1ccc(NNC(=O)C(C)(C)c2csc(-c3cccs3)n2)cc1	800688811	MXSCVBJWFSXLSI-UHFFFAOYSA-N	357.504	4.601	50	20	FJGD	
Cc1cccc(COc2cccc(C(=O)NNc3ccc(F)cc3F)c2)c1	825198483	MYLLJIMNRKEKKT-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
COCCCOCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	832212032	IODHFFWWWSSCFH-UHFFFAOYSA-N	363.348	4.726	50	20	FJGD	
COC(=O)C12CC(C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)(C1)C2	843577804	SHEBPGUDMHKAFC-UHFFFAOYSA-N	371.327	4.626	50	20	FJGD	
COC1CCC(CC(=O)NNc2ccccc2Oc2ccccc2)CC1	846462774	WZZZFFKQPFZWPX-UHFFFAOYSA-N	354.450	4.517	50	20	FJGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccc(F)c(Cl)c2)c1C1CC1	860840659	RGMYAQZKKXLFID-JTQLQIEISA-N	365.840	4.673	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cc1	917516646	BXVUAJNURHIMLO-LDADJPATSA-N	369.829	4.938	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(-c3ccccc3F)o2)n1	920388085	RXUISWUZIUFQAC-XFXZXTDPSA-N	368.389	4.783	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccccc2C)cc(Cl)c1OC	1248407465	SPFZFTKJIILLQO-DHDCSXOGSA-N	355.821	4.846	50	20	FJGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)c1ccc(Br)cc1	1261235082	GZEKRWDFCPMOPW-HNNXBMFYSA-N	357.251	4.503	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1	16437204	SSFXGQUUTNJHLH-UKTHLTGXSA-N	361.228	4.938	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	160979972	QBJKKNSZEOYGNY-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1ccc(-c2n[nH]c(NC(=O)CCCC[C@H]3CCSS3)c2C)o1	161499348	VAPWVXBQLLNTHD-ZDUSSCGKSA-N	365.524	4.939	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1F	162629283	LCFUVDDPCBTMMZ-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
Cc1ccc(-n2ncc(C(=O)NNc3c(C)cccc3F)c2C(C)C)cc1	184348760	RGKHOGGYRQJVRW-UHFFFAOYSA-N	366.440	4.509	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1OC(F)F	211489187	RMMUMUGAYYNZHI-PTNGSMBKSA-N	372.371	4.541	50	20	FJGD	
COc1ccc(C)cc1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	214221827	ZTTCFKMIRYOFKB-ODLFYWEKSA-N	365.477	4.624	50	20	FJGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(Oc2ccccc2)c(F)c1	728698794	OZMXRSMRKSRTJC-VURMDHGXSA-N	370.811	4.949	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc2ncccc2c1	745362533	PLHYJEDQHNYJJQ-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2ccccc2Cl)n1	748571835	QUSUMULZRPHHHD-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
O=C(NNc1ccccc1)c1cc(NCc2ccccc2)nc2ccccc12	750234041	YUSYIDOZDQYDFK-UHFFFAOYSA-N	368.440	4.604	50	20	FJGD	
Cc1c(Br)cccc1C(=O)NNc1cc(Cl)ccc1Cl	752809729	HJCFWXNOVYHLDV-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1ccc(OCc2ccc(C(=O)NNc3cc(C)ccc3F)o2)c(C)c1	760131352	NKSGWBXQPNFUBE-UHFFFAOYSA-N	368.408	4.680	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(F)c(Cl)c1F	761095756	LNMQPRBLYNLSSU-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
O=C(CCc1cncc2ccccc12)NNc1c(Cl)cccc1Cl	765591861	UGJHLSOAQZIPDS-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
N#C/C(=C\c1cc(C(=O)O)cs1)C(=O)c1c(Cl)cccc1Cl	765825294	ODZUATSRKALKCH-XBXARRHUSA-N	352.198	4.543	50	20	FJGD	
CCc1c(C(F)(F)F)noc1NC(=O)CCCC[C@@H]1CCSS1	773136445	IAGRQSKSRYMMQG-SECBINFHSA-N	368.446	4.908	50	20	FJGD	
CCCc1cccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccncc3)cs2)c1	773910082	WAKPUVBHSGNZMG-PDGQHHTCSA-N	374.469	4.703	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cccc(-c3ccccn3)c2)ccc1[N+](=O)[O-]	774558344	BFKVMRNKZRRPKJ-PDGQHHTCSA-N	357.369	4.730	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	776595740	IKWHGJPWRCSOHG-XFFZJAGNSA-N	366.726	4.610	50	20	FJGD	
CC1(C)Cc2cc(C(=O)NNc3ccnc(F)c3)sc2-c2ccccc21	781362472	WBVSFBVZGQQMLV-UHFFFAOYSA-N	367.449	4.540	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1OCC	783688011	SYAZUCBVQHQJMH-LCYFTJDESA-N	361.850	4.989	50	20	FJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)NCc1cccc(Cl)c1	786055986	KKYKYCZEKJADKH-OQLLNIDSSA-N	371.893	4.677	50	20	FJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NCCSSC)oc2c1	791153660	ZJOYCWJCVNMNAR-UHFFFAOYSA-N	373.499	4.849	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c(-c2cnn(C)c2)c1	809146471	PNRZMDIVLQDNCM-JAIQZWGSSA-N	355.441	4.802	50	20	FJGD	
Cc1cc(-c2nnco2)ccc1NCc1ccc(OCCCCl)cc1	811469577	HNAHKVASUGZQDL-UHFFFAOYSA-N	357.841	4.665	50	20	FJGD	
COc1cc(NCc2ccc(OCCCCl)cc2)cc(-n2cccn2)c1	811498254	PMNPLYIWLHCWRI-UHFFFAOYSA-N	371.868	4.501	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cn1	812244498	CNEGSBNWYMJJSG-UKTHLTGXSA-N	351.362	4.922	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@H](CCCO)C1	836511128	APTYHAYLPGSEPJ-NSHDSACASA-N	374.375	4.970	50	20	FJGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)C(=O)c1ccc2c(c1)OCO2	917518054	REGVDGLXALYSGZ-LICLKQGHSA-N	361.397	4.527	50	20	FJGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1nc(C(C)(C)C)cs1	1320475665	CSSHUMNAUORDLA-VIFPVBQESA-N	370.881	4.620	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/C=C/c1ccccc1	3321212	ANEDYRNTPNHGNY-FYGXEABWSA-N	352.821	4.759	50	20	FJGD	
Cc1ccc2cc(/C=C(\C#N)c3nnc4n3CCCCC4)c(Cl)nc2c1	7158954	PUKVQEDSMYZGGB-LFIBNONCSA-N	363.852	4.579	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(OCC)c2)c1C	7210214	OCNMERTUHVUNEC-LDADJPATSA-N	366.461	4.712	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(F)c(F)c2)c(C)n1CC(F)(F)F	7337429	GGEAWOOJDTYZLY-AWNIVKPZSA-N	368.305	4.735	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)n1	14179341	JCYCFYCVWMKJND-RMKNXTFCSA-N	351.884	4.701	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](c2ccccc2)C2CC2)c1C	22134912	VFPDTQUYMZSHHN-AMUNLKFJSA-N	361.489	4.689	50	20	FJGD	
CC(C)c1ccsc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	53794978	RNVLZWYTGVGNLS-UHFFFAOYSA-N	373.356	4.555	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1	112770465	PKABHQWNLLQNEI-QPEQYQDCSA-N	355.419	4.631	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1	171540423	OOLZFAPERKOMPR-QQFZQELXSA-N	364.355	4.786	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2ccccc2c2cccnc12	172088222	KSSRJXBXSMFSIJ-UHFFFAOYSA-N	367.330	4.562	50	20	FJGD	
O=C(CC(F)(F)F)Nc1ccccc1S[C@H](Cl)C(F)(F)F	194411532	OKIHOUIXSGPLSV-VIFPVBQESA-N	351.699	4.797	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	210013423	CIYAQCHNALWRMP-GHXNOFRVSA-N	351.749	4.519	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(C)ccc1F	734981394	RHKVTXGLXHOOIA-RIYZIHGNSA-N	358.800	4.650	50	20	FJGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1cc(F)c(F)c(F)c1	746700085	QPRBGCPRGARVNN-UHFFFAOYSA-N	371.362	4.629	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)nc2)cc1	758417297	UXGLQQMBOZYCSF-TYSUYXETSA-N	374.488	4.741	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc(OCCC(C)C)cc1	774341644	CKHGYAGUAMNOJX-UHFFFAOYSA-N	358.404	4.950	50	20	FJGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1cc(F)c(F)cc1F	775544193	BGRWDFILABURIV-UHFFFAOYSA-N	369.412	4.673	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1cccc2ccccc12	776634901	GBEGIAOFUXSRGW-PFFSESEHSA-N	368.436	4.816	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(Cl)c1C	783646286	PSTFPBJTWKJAER-UHFFFAOYSA-N	360.244	4.915	50	20	FJGD	
C[C@@H](Oc1ccc(C(=O)NNc2ccccc2F)cc1)c1ccccc1	788513218	OYZYCNOFZRXQMQ-OAHLLOKOSA-N	350.393	4.723	50	20	FJGD	
Cn1c(/C(C#N)=C\c2cnn(Cc3ccccc3)c2Cl)nc2ccccc21	789131098	SYLNOEOBDSXXDT-WJDWOHSUSA-N	373.847	4.536	50	20	FJGD	
CCNc1ccc(Cl)cc1C(=O)NNc1ccccc1C(F)(F)F	792216093	XOZLPYYOAWNUEB-UHFFFAOYSA-N	357.763	4.548	50	20	FJGD	
Cc1cccnc1NNC(=O)Nc1ccccc1O[C@H](C)c1ccccc1	792307547	BFDCNGBPQCZTGS-MRXNPFEDSA-N	362.433	4.679	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](CC(F)(F)F)C1	817630915	WTFLLTNTKXXIRB-QWHCGFSZSA-N	355.491	4.892	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cs2)cc1	918712644	CXYPHYIPFKBYFQ-LYTHMUMPSA-N	365.502	4.720	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC2CCCC2)cc1	920065488	YURRASJDWKMFSP-VKAVYKQESA-N	362.429	4.562	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c(OC)c1	921138622	VSDLCTRXFNYCCT-ACAGNQJTSA-N	362.212	4.800	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	6951498	WFQMRTHJMQNVNZ-QGOAFFKASA-N	364.445	4.666	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1OCc1ccccc1	8238025	IHUKWURMBRQMCK-XDHOZWIPSA-N	373.408	4.966	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)OC(C)C	23739608	JVQGTRQBIWIXOC-QGOAFFKASA-N	371.440	4.706	50	20	FJGD	
CSc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccn1	72016409	NZVIURJRLGBWMB-UHFFFAOYSA-N	362.669	4.521	50	20	FJGD	
Cc1ccc(-c2cncc(C(=O)NNc3ncc(Cl)cc3Cl)c2)cc1	132582144	QQJNQDPKBJWRPO-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)c1ccc(C)cc1	186861595	AEPQVZDXTSZYKK-KGENOOAVSA-N	354.409	4.856	50	20	FJGD	
COC[C@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	192260295	SNLLHEAIEBZOHE-LBPRGKRZSA-N	360.348	4.891	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1Br)c1cnc2ccccc2n1	588615202	JMGKNKJJXZGLFM-FLIBITNWSA-N	354.182	4.596	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1Br)C(=O)c1c[nH]c2ccccc12	761176115	ISBBHMCBGNEDST-KPKJPENVSA-N	369.193	4.859	50	20	FJGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)c1ccc(OC(F)F)cc1	776257700	NIZRXQCNJRNLQK-UVTDQMKNSA-N	368.314	4.765	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1cccc(Oc2ccccc2)c1	777459465	CATWYUWKJYFDCG-UHFFFAOYSA-N	355.397	4.784	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(F)nc2)c(C)n1-c1ccccc1F	777465804	IMMOLPJRENXCKF-MHWRWJLKSA-N	363.367	4.557	50	20	FJGD	
O=C(NNc1ccccn1)[C@H](Sc1ccccc1Cl)c1ccccc1	777470983	AFHZOVNFFDUAIT-GOSISDBHSA-N	369.877	4.712	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1)c1ccccc1	787142072	RNNHHNPVHXLHOC-FYXHJSOBSA-N	354.837	4.523	50	20	FJGD	
NC(=O)[C@H]1CCC[C@H](C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	787271252	QEKNTNFCFXKYKD-UWVGGRQHSA-N	372.359	4.574	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	787498263	JZJINQJWFXTRQY-CHWSQXEVSA-N	357.866	4.505	50	20	FJGD	
COc1ccc(NNC(=O)c2cc3ccccc3s2)c(C(F)(F)F)c1	816703427	DRAFFLSHGJXQBU-UHFFFAOYSA-N	366.364	4.686	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	817925299	AMAJEKPAIJRCNM-HUUCEWRRSA-N	365.260	4.639	50	20	FJGD	
CC1=NO[C@@H](CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	879198568	GJXBVTLYCNHBGK-SNVBAGLBSA-N	359.320	4.630	50	20	FJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cnn(-c2ccc(Br)cc2)c1	918713526	KSSHMHUAMSWVRS-RIYZIHGNSA-N	372.266	4.547	50	20	FJGD	
CCc1cc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)nn1C	1320716856	IGQQTKFYPAVULK-UHFFFAOYSA-N	355.332	4.892	50	20	FJGD	
CC(C)Oc1ccc(C(=O)O)cc1C(=O)/C=C\c1cccc(CCl)c1	1776355390	HNTAOTSLVRXBLP-VURMDHGXSA-N	358.821	4.807	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)s1	105570646	PBTINMZZYLOMIP-PDGQHHTCSA-N	360.438	4.820	50	20	FJGD	
Cc1cc(C(=O)NNc2cccc(F)c2)c(C)n1[C@H](C)c1ccccc1	154772690	GSKXZXZAZFEGCI-OAHLLOKOSA-N	351.425	4.610	50	20	FJGD	
CCC(C)(C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	194440359	VDBXVTHJMHFKIV-UHFFFAOYSA-N	360.348	4.587	50	20	FJGD	
CCCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OC	214061619	VOWVTBWVRLNENZ-PDGQHHTCSA-N	364.445	4.647	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@H]2CCCN2c2ccccc21	732123158	QVBQPPWICAVGMD-HZPDHXFCSA-N	362.564	4.716	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1Oc1cccnc1	732714207	UDMFZGFMVBHYBA-QGOAFFKASA-N	361.445	4.538	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3[nH]ccc3c2)c(C)n1CC(C)C	733127920	IBJZEYKPMHCKRQ-GRSHGNNSSA-N	360.461	4.788	50	20	FJGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)c(C)n1C1CCCCC1	734553343	IUSUFUAOQUGAFA-UHFFFAOYSA-N	365.399	4.784	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cccc(C#N)c2)c1C	743776865	IYYAAMUENQJVJW-NEIHUHTASA-N	374.488	4.561	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1C[C@H]1c1cccc(F)c1F	748018109	IIESWDYTKIFJNR-QWRGUYRKSA-N	357.187	4.518	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(C#N)cc3)c(F)c2)cc1C	748128114	VRYSNJLADCHARU-UHFFFAOYSA-N	359.404	4.738	50	20	FJGD	
N#C/C(=C/c1cnc(-c2cccs2)s1)c1nc(-c2ccccc2)no1	751514414	LYDUDJYBLXRNDS-LCYFTJDESA-N	362.439	4.986	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1OC	764883789	BVYDBLLBZSUQOA-CXUHLZMHSA-N	355.821	4.846	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(Oc2ccccn2)cc1	775621299	YDSXSDBKERSXPM-UHFFFAOYSA-N	354.797	4.676	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cs2)cc1Cl	779754138	ZXTOGQHTRWALTD-RUDMXATFSA-N	353.230	4.609	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C\c3cc(C)c4ncccc4c3)nc(O)c2c1C	783701341	UVDMSYXOHQYNKS-SXGWCWSVSA-N	372.453	4.935	50	20	FJGD	
Cc1ccc2nc(/C=C(/C#N)c3nc4cc(Cl)ccc4s3)cn2c1	789127288	IQALFKGAHLODKB-SDQBBNPISA-N	350.834	4.970	50	20	FJGD	
Cc1ccc(N2CCCC2)c(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791733394	JUXDARSNZFVUKI-UHFFFAOYSA-N	364.276	4.659	50	20	FJGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	799108463	BQQXUXJYNFYBKM-IBGZPJMESA-N	357.457	4.987	50	20	FJGD	
C/C(C=NNC(=O)c1ccc(Cl)nc1)=C\c1ccccc1C(F)(F)F	799875892	GAAVKBYKYCFMNG-JLSCQRFDSA-N	367.758	4.573	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(C)c1OC	806554134	LBONFQWDSIAWOC-MDWZMJQESA-N	359.784	4.595	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1c[nH]c(C(F)(F)F)c1	814189546	GCXKHBGWMIWDTC-UHFFFAOYSA-N	372.561	4.751	50	20	FJGD	
CCOc1ccc(NNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1	817879281	FRQWFGSUCLHJGH-UHFFFAOYSA-N	373.412	4.506	50	20	FJGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377221	QEDBBMAEQPLXIY-ZETCQYMHSA-N	362.701	4.781	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3ncsc3c2)c1C	915870750	NYQCZIDGKLXILB-CXUHLZMHSA-N	364.474	4.670	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c[nH]nc2-c2cccc(OC)c2)cc1	918712890	OMFMKIWBLWLHPZ-XDHOZWIPSA-N	371.440	4.828	50	20	FJGD	
C=CCN(Cc1ccc(OC)cc1)C(=O)CCCC[C@@H]1CCSS1	108691989	AJVSULRVJZITIN-GOSISDBHSA-N	365.564	4.924	50	20	FJGD	
COc1ccc([C@@H](C)N(C)C(=O)CCCC[C@@H]2CCSS2)cc1	115602501	ABSHWTHDENJGFG-RHSMWYFYSA-N	353.553	4.929	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(Cl)nc1C	154543278	LWKXDWKTGLWNHK-UHFFFAOYSA-N	359.882	4.994	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1	158905759	MTJKJOFXSVJFEG-UHFFFAOYSA-N	361.376	4.555	50	20	FJGD	
Cc1cnc([C@H](NC(=O)CCCC[C@@H]2CCSS2)C2CC2)s1	174033269	NHYMGLIFGJULHT-UKRRQHHQSA-N	356.582	4.733	50	20	FJGD	
CC(C)C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	726702615	KDFNPKSMTDCUIT-KRWDZBQOSA-N	363.408	4.702	50	20	FJGD	
C#Cc1cccc(N(CC)CCP(=O)(c2ccccc2)c2ccccc2)c1	728573634	SWJCMIGKAZBKBW-UHFFFAOYSA-N	373.436	4.508	50	20	FJGD	
CC[C@@H](C)[C@@H](C(=O)NNc1ccc(Br)cc1)c1ccccc1	735114763	NVFSIUQJJJILPB-CXAGYDPISA-N	361.283	4.722	50	20	FJGD	
O=C(Cc1csc2ccc(Cl)cc12)NNc1cccc2cnccc12	752146551	ZDUHNQCQMIKBDA-UHFFFAOYSA-N	367.861	4.789	50	20	FJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1ccc(C#N)c(Cl)c1	753303454	WFGPKKFNHYOBSX-AWEZNQCLSA-N	370.884	4.733	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Cl)c(Br)c1	753420930	NGHNMTMIRYFMKP-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
CC(C)Cn1ncc(C(=O)NNc2ccc(Cl)cc2)c1-c1ccccc1	760856162	OSAOWNLHPVUKJH-UHFFFAOYSA-N	368.868	4.616	50	20	FJGD	
C=CC[C@H](CO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762975249	MQYIZESQGHVNSB-JTQLQIEISA-N	360.348	4.650	50	20	FJGD	
CN(Cc1nccn1C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762977606	DRJQEAIOAOAFNI-UHFFFAOYSA-N	370.347	4.741	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1ccccc1NCc1ccccc1	765009261	PALALWQXKRWSNM-UHFFFAOYSA-N	351.837	4.709	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H](CCC#N)c2ccccc2)cc1	780844120	RWXAJPWDRSAHBD-LJQANCHMSA-N	350.466	4.655	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1csc(-c2ccc(F)cc2)n1	785352425	YQUXCIMGPNCIEG-YBEGLDIGSA-N	364.401	4.600	50	20	FJGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	790099183	ISXKUNRCZKXASX-SXGWCWSVSA-N	360.388	4.886	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1	793071645	IYTDEEQCEZSLNE-JCMHNJIXSA-N	367.404	4.687	50	20	FJGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1c(Cl)cccc1Cl	794935702	AFPDOYIOGZGDDX-SOFGYWHQSA-N	354.139	4.767	50	20	FJGD	
CC(C)c1occc1C(=O)NNc1ccc(Br)cc1Cl	795081373	PQUFJBWYCHHBKZ-UHFFFAOYSA-N	357.635	4.576	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1	801175859	JDUOOMYKMZOVLC-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
COc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(Cl)c1OC	812248232	HPVVOZLQMDSYON-XFFZJAGNSA-N	368.742	4.835	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)c(OC)cc2Cl)cc1	813873213	TWYAVDIGSPWMEG-GDNBJRDFSA-N	370.836	4.601	50	20	FJGD	
CCC1(NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CC1	831873539	WGFYSWWVSQFZPG-UHFFFAOYSA-N	351.362	4.565	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COCc1ccccc1C	857574380	MPSMSKNWNKNVNN-UHFFFAOYSA-N	368.502	4.848	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cccc(F)c2)c1C	912661511	QYSXMTFTJRHKEE-MOSHPQCFSA-N	367.468	4.610	50	20	FJGD	
COC(=O)c1cc(NC(=O)CCCC[C@H]2CCSS2)ccc1Cl	913151566	NKRZFIILHNKGJK-LBPRGKRZSA-N	373.927	4.779	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cs2)cc1	918712636	CXYPHYIPFKBYFQ-FOJINDKQSA-N	365.502	4.720	50	20	FJGD	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1ccc(F)c(Cl)c1	6427738	TXXWPIMJVAKCIE-YRNVUSSQSA-N	366.726	4.626	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(SC(F)F)cc1	41894518	IBFXLXOIVWRLFD-UHFFFAOYSA-N	362.323	4.777	50	20	FJGD	
O=C(NCC1(CO)CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	184413316	FYPDOLFXXURFQC-UHFFFAOYSA-N	360.348	4.628	50	20	FJGD	
CC(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193622216	AFDPMPGVZUBKNC-SNVBAGLBSA-N	374.375	4.833	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)ccc1OCc1ccccc1	211206026	NAAJMIIAACCRIK-UNOMPAQXSA-N	373.408	4.966	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2csc(-c3c(F)cccc3F)n2)c(C)c1	743765162	GXLVBXMQWQPORM-UHFFFAOYSA-N	373.428	4.770	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1csc(-c2cccc(Cl)c2)n1	743787658	VYNKSUPVBSIKQB-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	752524271	AZLJPUGYMUGUBU-RVDMUPIBSA-N	362.326	4.866	50	20	FJGD	
CC(C)(C)OCc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	752525840	CURLYZLYXRTXTR-SFQUDFHCSA-N	352.409	4.686	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(Cl)nc2ccccc12	752812244	VRXPMHOGGQUFGA-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1csc(Cl)c1Cl)c1ccccc1	761390047	BETPKHWPUWQBPX-BZPKPHBRSA-N	351.258	4.839	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)c(C)cc1Br	768418443	YODFNOQZNRGTJC-UHFFFAOYSA-N	371.637	4.615	50	20	FJGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)C1CCSCC1	777426744	IHIHYNSHTKGVFB-UHFFFAOYSA-N	350.553	4.656	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	780816204	VVGMOOUESBRQAZ-NRFANRHFSA-N	374.488	4.795	50	20	FJGD	
COc1ccc2cc(CN(C)C(=O)/C(C#N)=C/c3ccc(F)cc3)ccc2c1	785059931	YTRYMGLQHAARMI-RGVLZGJSSA-N	374.415	4.553	50	20	FJGD	
CC(C)(C)c1cnc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)s1	790609226	KCBRUUFMXJIRSZ-FLIBITNWSA-N	362.401	4.832	50	20	FJGD	
Cc1nc2cccc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2[nH]1	801797801	NDJSAYHPLKPMSX-UHFFFAOYSA-N	369.639	4.588	50	20	FJGD	
CCc1ccc2occ(C(=O)NNc3ccc(OC(F)(F)F)cc3)c2c1	802829674	VDQKGPPACJBODX-UHFFFAOYSA-N	364.323	4.651	50	20	FJGD	
CC[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@H]1N	841190270	OEPOSEKEVBIYJN-GXFFZTMASA-N	373.391	4.935	50	20	FJGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCCC1(C#N)CCOCC1	844350472	VNNXIOLHZVLPEQ-SFHVURJKSA-N	366.622	4.573	50	20	FJGD	
CN(CC(Cl)Cl)C(=O)c1cnn(C2CCCC2)c1-c1ccccc1	848085230	RLNZSQVRHIOTHC-UHFFFAOYSA-N	366.292	4.541	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)Cc2ccco2)c(C)n1C1CCCCC1	874082525	WXZLHBVRGNVSQP-UYRXBGFRSA-N	365.477	4.769	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)cc1OC	916347893	BCLQWEIEILQDRU-HOTGVXAUSA-N	358.482	4.560	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1OC	917515792	AJACETMDJSYNHA-FOWTUZBSSA-N	374.396	4.509	50	20	FJGD	
N#C/C(=C/C1=Cc2cc(Br)ccc2OC1)C(=O)c1ccccc1	920062948	JEZRSISEBRRUFH-SXGWCWSVSA-N	366.214	4.558	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-c2cccs2)s1	1320304846	JPNVFIQBNIZNLL-UHFFFAOYSA-N	354.378	4.651	50	20	FJGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)Nc1cccc2ccccc12	7907253	QDKPGUJXQFHIEA-CPNJWEJPSA-N	364.408	4.571	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1OC(C)C	16441609	HAEJHKWGBYKHFM-LFIBNONCSA-N	360.413	4.754	50	20	FJGD	
CC(=O)Nc1ccc(C)c(NC(=O)CCCC[C@H]2CCSS2)c1	43057224	GAZZYFYHXXIPSR-HNNXBMFYSA-N	352.525	4.606	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	102598554	NWPFMICTHUIQCX-ATVHPVEESA-N	355.397	4.640	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1csc(-c2ccccc2)n1	104905849	BZBDRRLFDUJVFC-UHFFFAOYSA-N	363.364	4.586	50	20	FJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)c1nnc2n1CCCCC2	115184198	BLTCFVCFUNPQTQ-QBFSEMIESA-N	366.371	4.607	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(Cl)nc1Cl	119875384	DPPPNZQVIJEVPJ-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)c3c[nH]c4ccccc34)co2)cc1	176855096	OSSDFNPOAKYSFP-MHWRWJLKSA-N	353.381	4.921	50	20	FJGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1csc2ccccc12	727173905	DRKHTZJQUXQRKH-UHFFFAOYSA-N	369.515	4.656	50	20	FJGD	
COc1ccccc1C(C)(C)NC(=O)CCCC[C@@H]1CCSS1	728539620	YGZKGOHSIHFFTL-CQSZACIVSA-N	353.553	4.761	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1	732716204	KNIJPMQRYJLFBJ-UKTHLTGXSA-N	364.754	4.929	50	20	FJGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1cnc2ccsc2c1	739411045	COSDLXPLJYJSQU-UHFFFAOYSA-N	359.454	4.532	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)nc12	741473263	PFZCNLVTZAPMRG-XDHOZWIPSA-N	366.424	4.910	50	20	FJGD	
N#C/C(=C\c1ccc(Br)cc1Cl)C(=O)c1ccsc1	742348774	DGPXZZVHXQZJRP-VZUCSPMQSA-N	352.640	4.954	50	20	FJGD	
Cc1cc2cc(C(=O)NNc3ccc(Br)cc3)oc2cc1C	743299677	RLJPCYXDLODFDO-UHFFFAOYSA-N	359.223	4.569	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CO[C@@H]1CCC[C@H](C)C1	748672431	GMVMQRBSAUUWAT-WMLDXEAASA-N	360.523	4.918	50	20	FJGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	751174685	SABIXMUSZZLIDC-GOSFSIBNSA-N	359.422	4.505	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1Br	765613645	WBMJXRMABNQRKC-BJMVGYQFSA-N	365.133	4.700	50	20	FJGD	
C[C@@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1c(F)cccc1F	767397123	XAMGYJUBFOWOHF-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)c1cccc2ccccc12	768484349	IRHFXHZGVGECIV-UHFFFAOYSA-N	351.409	4.666	50	20	FJGD	
O=C(NNc1ccccn1)[C@@H](Sc1ccccc1Cl)c1ccccc1	777470984	AFHZOVNFFDUAIT-SFHVURJKSA-N	369.877	4.712	50	20	FJGD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCCC[C@@H]2CCSS2)c1	786590385	OUYFRHLMYFKEOL-GDBMZVCRSA-N	367.536	4.579	50	20	FJGD	
CCc1cccc(Cl)c1C=NNC(=O)COc1ccc2ccccc2c1	788709238	IQMNCUMLNCZZNI-UHFFFAOYSA-N	366.848	4.585	50	20	FJGD	
CSSCCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	790880455	JZLQJEFZNJXZCR-ZDUSSCGKSA-N	364.458	4.563	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)[C@H]1CCCOC1	794884061	NQHNWSGRQBOLTA-CRNMQVKPSA-N	369.367	4.660	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c[nH]nc2-c2c(F)cccc2F)cc1C	809160556	STKXYCLLHSWNLY-OQLLNIDSSA-N	363.367	4.762	50	20	FJGD	
N#C/C(=C/c1csc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1	810218775	XILVMDPHPBPTQZ-DHDCSXOGSA-N	359.859	4.893	50	20	FJGD	
Cc1cc(C(=O)NC(C)C)ccc1NCc1ccc(OCCCCl)cc1	811501746	VMHUGLQWCXDMJQ-UHFFFAOYSA-N	374.912	4.753	50	20	FJGD	
COCCCOc1cccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812246408	KVLREVNVSWEIPF-GDNBJRDFSA-N	362.351	4.580	50	20	FJGD	
C=CCC[C@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	836511678	HDBXLJGNAUTTKR-LLVKDONJSA-N	360.348	4.793	50	20	FJGD	
Cc1cccc(-n2c(C)cc(C(=O)NNc3cccc(Cl)c3)c2C)c1	901000078	KZIDVMUKCOVJHR-UHFFFAOYSA-N	353.853	4.813	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccco2)C(C)C)c1C	914483760	HZIGUESKAKIOQI-MOSHPQCFSA-N	367.493	4.842	50	20	FJGD	
CCCOc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)cc1OC	916347896	BCLQWEIEILQDRU-JKSUJKDBSA-N	358.482	4.560	50	20	FJGD	
Cc1nnc(/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)o1	1325739825	WWKADBZSEKKKGR-OVCLIPMQSA-N	372.350	4.869	50	20	FJGD	
CCCCCCCC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccccc1	1776094732	JFNJXFBWQLZKTG-UHFFFAOYSA-N	366.461	4.879	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1c(Cl)cccc1Cl	7164589	FBISOIYQCCOKGS-UXBLZVDNSA-N	353.155	4.817	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1OC	8201927	CLPPVMNUVDMSHD-FOWTUZBSSA-N	353.393	4.803	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1OCC	8202636	XSEKKUKMFOZGTM-SFQUDFHCSA-N	353.393	4.803	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NNc1ncc(Cl)cc1Cl	133015335	RODHMRODYMSVGS-SNVBAGLBSA-N	366.339	4.546	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)on1	178883721	RNIAYXVISJKOTP-UHFFFAOYSA-N	366.179	4.544	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1OC	730589075	OJJAXAMBFZEVRH-ZSOIEALJSA-N	359.784	4.676	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1	732269417	XDTLIPGOFQCNBD-UHFFFAOYSA-N	357.413	4.610	50	20	FJGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1nc(Cl)ccc1Cl	757426116	WXONXOYFXIOQMB-UHFFFAOYSA-N	363.156	4.669	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC(C(F)(F)F)CC3)cc2C1	766015304	JZTAJXYDPAWZFM-RWANSRKNSA-N	358.429	4.711	50	20	FJGD	
CSc1ccc(C)c(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1	767403072	VNSZNCSQBUWRDL-UHFFFAOYSA-N	359.253	4.920	50	20	FJGD	
N#CCc1ccc(NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	769936754	JVONNPCQTZFKEQ-UHFFFAOYSA-N	369.639	4.861	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1Cl	774559247	GHFGQDZGEMKSAI-DHDCSXOGSA-N	370.792	4.886	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)c(C)n1C1CC1	775638622	DTSHEJNEGYXYGY-XNTDXEJSSA-N	356.372	4.831	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(OC)c1	782352130	QGEYTLGWFFXKBI-ZROIWOOFSA-N	358.781	4.720	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1)c1ccccc1	787145779	TXLCSBBHHKVGBN-MBGNVJMVSA-N	360.413	4.616	50	20	FJGD	
CO[C@@H]1CCOc2c(NC(=O)NNc3ccc(C(C)(C)C)cc3)cccc21	790577810	UGOUISDYEPQBCG-GOSISDBHSA-N	369.465	4.603	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)c1ccsc1	794690100	FWYBUIPPMPUJNI-AUWJEWJLSA-N	373.359	4.742	50	20	FJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794965521	VLCLZXYDTDIKEF-WWJULTAPSA-N	369.380	4.879	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)nc2)c1	797785349	AUVXIBDDSIOQKD-RGEXLXHISA-N	368.440	4.704	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cnc(C(C)(C)C)nc2)cc1	806566251	YRSOKQAMNWQDGL-LDADJPATSA-N	362.477	4.662	50	20	FJGD	
CCc1cccc2c1OCC[C@@H]2NCc1ccc(OCCCCl)cc1	811479881	LNWYZOQTYCOIQK-FQEVSTJZSA-N	359.897	4.870	50	20	FJGD	
COc1c(CNCc2ccc(OCCCCl)cc2)oc2ccccc12	811494698	UHCFWELUYVICKI-UHFFFAOYSA-N	359.853	4.739	50	20	FJGD	
O=C(NCCCNC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	841189077	DZAUXJGIIXKGRP-UHFFFAOYSA-N	359.364	4.608	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1Cl	1317822390	REJUOBRCYMGFED-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc(Cl)c1O	11297518	MCURSFRHDFAMAH-AWNIVKPZSA-N	362.212	4.888	50	20	FJGD	
Cc1ccc2c(CC(=O)NNc3ccccc3C(F)(F)F)coc2c1C	68772859	ORATUAOEICGPCD-UHFFFAOYSA-N	362.351	4.754	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccc(Cl)c(F)c1	175437530	GTRBOAVFMZSCJJ-UHFFFAOYSA-N	361.829	4.668	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1)c1ccccc1	211450578	SUGNRCFOCJSVIG-OJLMPMFISA-N	362.401	4.520	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	216747244	DJWYVUORTQQMAR-OQFOIZHKSA-N	371.145	4.956	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)c2ccsc2)o1	255881438	PEXHHRFSBQCWIK-UVTDQMKNSA-N	363.394	4.585	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCc3c(C)cccc32)c1C	729442959	ZGPUPKUOUMMNIG-DUBROFONSA-N	361.489	4.534	50	20	FJGD	
O=C(NNc1ccc(Br)nc1)c1ccc(C2CCCCC2)cc1	732837217	YEXMSBAJQDWIAH-UHFFFAOYSA-N	374.282	4.649	50	20	FJGD	
C=CC[C@@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1ccncc1	734681091	YCOQTDUVEHGCAM-JOCHJYFZSA-N	372.472	4.620	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(C(=O)NC)cc2)CC1	741469538	LOIZYRUHGZERNG-ZHZULCJRSA-N	352.478	4.519	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1C	742224849	ZPHJQTCZLOCXOJ-IUYQLWOBSA-N	369.431	4.515	50	20	FJGD	
O=C(NNc1ccc(Cl)nc1)N[C@H](c1ccc(Cl)cc1)C1CCC1	745801856	IJBKXEXUUYOQNW-INIZCTEOSA-N	365.264	4.556	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(Cl)cc2cccnc12	752813384	UZRZVPOJRHUFBV-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(F)(F)F)s2)cc1	761391308	HWFCHUWPAPQMQT-PKNBQFBNSA-N	366.364	4.711	50	20	FJGD	
COc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1Cl	765687810	CXNHVHMOYLTVPR-CYBMUJFWSA-N	359.944	4.679	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)C3CCCCC3)cs2)cc1	767714578	RIUWQZDUEXPYKV-WJDWOHSUSA-N	352.459	4.875	50	20	FJGD	
CC[C@H](CC(=O)NNc1c(F)cccc1Cl)c1ccc(OC)cc1	770202689	VJKJBYOHOXEPTR-GFCCVEGCSA-N	350.821	4.515	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)C1c2ccccc2Oc2ccccc21	777464989	SVVJUIXARCKNGT-UHFFFAOYSA-N	367.408	4.616	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(OCC2CC2)cc1	791733173	AZDCTIAMNYEUHE-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)c1nc(-c2ccncc2)cs1	794934747	MVXSUDQSFBCVJR-RVDMUPIBSA-N	373.416	4.594	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)no1	797149898	PRVOOIVGTIKGPL-GXDHUFHOSA-N	357.291	4.699	50	20	FJGD	
CN(Cc1ccccc1C(F)(F)F)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	898485857	DSGXLFDQXWWLEI-MFOYZWKCSA-N	361.323	4.610	50	20	FJGD	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	914702590	JULKMFQLGFWOHA-QINSGFPZSA-N	374.893	4.518	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(F)c2)c(C)n1CC(F)(F)F	915863111	PHWMBEUEDNXHGX-AUWJEWJLSA-N	350.315	4.596	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)[C@@H](C)CC)cc2)cc1	915914675	ULVCYWUDHWVFGV-INIZCTEOSA-N	368.477	4.816	50	20	FJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1	920067670	AXMKFOQIFBVUFP-NVNXTCNLSA-N	370.387	4.795	50	20	FJGD	
CN(C)Cc1cc(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)no1	1116594055	DDCLRFNIXXZWPG-UHFFFAOYSA-N	371.331	4.646	50	20	FJGD	
Cc1cccc(OCc2nnc(CCCC[C@@H]3CCSS3)o2)c1	1261426103	ATFYUNGDPANMAM-OAHLLOKOSA-N	350.509	4.824	50	20	FJGD	
O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1cccc(CCl)c1	1358320174	IFACHXHCRQCVEO-UHFFFAOYSA-N	362.882	4.571	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCO[C@H](C2CC2)CC1	1551177888	DUUNQZGUKLRJCK-AWEZNQCLSA-N	371.371	4.985	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C(=O)O)c2)cc1	1776697766	RGSJJFSNMQJIHF-XWAFYUISSA-N	362.429	4.752	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc2cc(Br)ccc2o1	48136560	HTDHHIRZNOASIP-UHFFFAOYSA-N	365.614	4.606	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(OC2CCCC2)CC1	195462109	HYSQBMHDGRCKBX-QGZVFWFLSA-N	357.585	4.651	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1OC(F)F	255188479	RIJMZBBFZZHAQH-ZSOIEALJSA-N	369.323	4.833	50	20	FJGD	
O=C(NNc1ccccc1)c1cc2sc(Nc3ccccc3)nc2s1	732266209	WKISISVVPMWIGE-UHFFFAOYSA-N	366.471	4.858	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)c(OC(F)F)cc1C	742435302	VOVPFUCBBUYIHE-RIYZIHGNSA-N	354.360	4.549	50	20	FJGD	
C[C@@H](NC(=O)NNc1ccccc1Cl)c1ccc(-c2ccncc2)cc1	746424429	CNSCGWNAEPLEAJ-CQSZACIVSA-N	366.852	4.789	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(C3CCCC3)n2)cc1	746543028	YMMPJGAZXFHJKZ-LICLKQGHSA-N	352.459	4.760	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	754152519	NHZWZUYBQREBSY-QQJLWGBUSA-N	374.353	4.596	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1nc(Cl)ccc1F	758037787	LZQBOHNPGHWZOF-UHFFFAOYSA-N	369.010	4.591	50	20	FJGD	
FS(F)(F)(F)(F)c1cccc(NC(=S)NC[C@@H]2CCOC2)c1	762443513	IOSDHMKMAZXULP-VIFPVBQESA-N	362.389	4.667	50	20	FJGD	
N#C/C=C(/c1ccccc1)N1CCC2(CCN(Cc3ccccc3)C2)CC1	762927306	PGPVVTUJMPBNSE-KSEXSDGBSA-N	357.501	4.539	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1csc(-c2cccs2)n1	763623922	IPRNXHTUBFLPGN-UHFFFAOYSA-N	370.286	4.935	50	20	FJGD	
O=C(NNc1ccccc1)Nc1ccc2nc(Cc3ccccc3)oc2c1	770067552	NWKDHPJJCIXMDT-UHFFFAOYSA-N	358.401	4.567	50	20	FJGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1ccc2ccccc2n1	777463272	NDFKBLYZPZNEKX-MRXNPFEDSA-N	362.477	4.757	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1	787459426	ZYYXUYKYFQDCOQ-GHMZBOCLSA-N	360.788	4.667	50	20	FJGD	
CC(C)c1ccc([C@@H]2CCCN2C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	787476372	RCDNZOQKGLHCBS-FGGAIWKESA-N	360.457	4.786	50	20	FJGD	
CCCn1cc(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)nn1	792551001	WLGDMVLIHFJKEJ-UHFFFAOYSA-N	356.320	4.598	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)c1ccoc1	798231010	WDVRSTRCHJCUEO-RQZCQDPDSA-N	365.820	4.585	50	20	FJGD	
NC1CCC(NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	841179202	LHGQFGVJXPQNIF-UHFFFAOYSA-N	359.364	4.735	50	20	FJGD	
COC[C@H](C)Oc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	853008718	XPPPCLHCJXWCIJ-GRRFOWRYSA-N	362.351	4.578	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1	912596341	IOBMMXYXZQIIAR-UHFFFAOYSA-N	373.478	4.798	50	20	FJGD	
Cc1noc(CCCNCc2cccc(S(F)(F)(F)(F)F)c2)n1	921692916	HQNAVNHMEPTTJA-UHFFFAOYSA-N	357.348	4.758	50	20	FJGD	
CCN(CC)Cc1ccc(-c2nnc([C@H](Br)C(C)(C)C)o2)o1	1327936243	UMCQLQORNBGIHM-ZDUSSCGKSA-N	370.291	4.654	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)s1)C(=O)Nc1ccccc1	1776118330	BKXKIEPESQMSJB-FOWTUZBSSA-N	374.421	4.659	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	6410939	SURDGNLDQJIACU-UKTHLTGXSA-N	362.763	4.796	50	20	FJGD	
CCC(=O)Nc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	53665352	HFSFKIGVDMNXPY-OAHLLOKOSA-N	352.525	4.688	50	20	FJGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	134284383	IEBMQONHKDGOCM-UHFFFAOYSA-N	368.355	4.519	50	20	FJGD	
N#C/C(=C\c1csc(-c2cccs2)n1)C(=O)Nc1ccccc1F	170851353	QWRGCYOVTBUKIR-DHZHZOJOSA-N	355.419	4.556	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1	255500585	JSHSVBPXYSZSQE-GHXNOFRVSA-N	358.829	4.802	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	588515663	OYGOQQJMXVPRMN-CHMLTUNVSA-N	371.440	4.534	50	20	FJGD	
O=C(NNc1ccccc1)[C@H](Sc1ccc(F)cc1F)c1ccccc1	732266044	FFWOIZZDQNIMJY-LJQANCHMSA-N	370.424	4.942	50	20	FJGD	
CC[C@@H](CC(=O)NNC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1	738555722	HWKHLNVKSQNHCW-KRWDZBQOSA-N	369.534	4.513	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1	743055599	GNEAYISCWPZNKC-GANRHZMWSA-N	361.869	4.810	50	20	FJGD	
Cc1cc(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)n[nH]1	755212763	SKUCPPFNNSOSET-LLVKDONJSA-N	364.780	4.581	50	20	FJGD	
COc1ccc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])c(OC)c3)ccc2c1	766779109	NRXCCFRITLPKRR-VCHYOVAHSA-N	360.369	4.829	50	20	FJGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)sc2ccc(F)cc12	770190261	DQDATANZNZMAJB-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
O=C(CC1(CSc2ccccc2)CC1)NNc1nccc2sccc12	771735273	LNAPDVLWZFRBDA-UHFFFAOYSA-N	369.515	4.702	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)c(Br)c1)C(=O)Nc1ccccc1	775630095	JSLPEEYAIXLNKL-WQLSENKSSA-N	361.626	4.648	50	20	FJGD	
CO[C@H]1CCOc2c(NC(=O)NNc3ccc(C(C)(C)C)cc3)cccc21	790577812	UGOUISDYEPQBCG-SFHVURJKSA-N	369.465	4.603	50	20	FJGD	
Cc1ccn(-c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)n1	791439492	KXCWIDIOIICAQD-QGZVFWFLSA-N	361.536	4.833	50	20	FJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1cccc2c1CCCC2	793712465	UVZOREXISJGWPA-UHFFFAOYSA-N	361.445	4.540	50	20	FJGD	
N#C/C(=C/c1cscc1Br)C(=O)c1c[nH]c2ccccc12	794685692	JEVNVKVFYXUPNC-YHYXMXQVSA-N	357.232	4.782	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(-c2ncco2)c1	812957730	ZNSGDCGOPDEKOT-UHFFFAOYSA-N	350.422	4.922	50	20	FJGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	817013833	FSAMUCQBAJMZPU-UHFFFAOYSA-N	362.273	4.790	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H](CC)Oc2ccccc2C(C)C)cc1	857511897	CFQPYEVHBNPLGP-IBGZPJMESA-N	356.466	4.509	50	20	FJGD	
CC[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1OC	915078212	FDZZRQQWMGOWGL-GOEBONIOSA-N	353.553	4.977	50	20	FJGD	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cccc3ccccc23)c1C	915850732	UDGANNGTMSBITI-LDADJPATSA-N	372.424	4.751	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)cc1	915853005	YRKAIWVZQMGXNK-CCNLRRDASA-N	362.429	4.532	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)c1cc2ccccc2o1	916130969	INWHZJFOSABYBR-ZROIWOOFSA-N	352.187	4.985	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1OCC	917145288	XUVYYXAPFOXOKR-RGEXLXHISA-N	354.409	4.710	50	20	FJGD	
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)CCl	1319921338	DHHXXNBEOIDHNB-UHFFFAOYSA-N	359.832	4.909	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccccc1Oc1cccnc1	153580319	UXTOMHUAPCIQKH-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1ccc(NC(=O)NNc2c(C)cccc2F)cc1NC(=O)C(C)(C)C	184338618	UTNJNUULIPPFGX-UHFFFAOYSA-N	372.444	4.576	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](Oc2cccc(F)c2)C1	185200810	NQDMNGFYSGNZOZ-SJORKVTESA-N	369.527	4.520	50	20	FJGD	
C[C@H](Sc1ccc(F)cc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	210452033	PAHCGMRMAFCQDY-WMEZLHQCSA-N	356.447	4.828	50	20	FJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1ccccc1Cl	213092478	PZITWBREIBKERZ-UITAMQMPSA-N	367.655	4.710	50	20	FJGD	
C[C@H](CCCO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297346516	ZYKXQKRXLKGXBG-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
COc1ccc(Br)cc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735617205	UPJJEHKUFAVWNI-MDWZMJQESA-N	368.234	4.707	50	20	FJGD	
O=C(NNc1nccc2sccc12)C1CCC(c2ccccc2)CC1	743416515	QNSBZOBZYVHZJW-UHFFFAOYSA-N	351.475	4.713	50	20	FJGD	
O=C(Cc1ccncc1)NN=Cc1c2ccccc2c(Cl)c2ccccc12	747646022	KSHPJAJLLWJSKB-UHFFFAOYSA-N	373.843	4.734	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3cc(C)cc(C)c3)c(F)c2)cc1	748362531	NKWCVDSPXKSTFO-UHFFFAOYSA-N	364.420	4.875	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1	748414410	MPPUCRUAUATZLC-UHFFFAOYSA-N	373.428	4.546	50	20	FJGD	
COc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc(Cl)c3)c2c1	751584182	JPCASTYZJHBFIA-UHFFFAOYSA-N	367.836	4.531	50	20	FJGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NNc1ccc(C#N)c(Cl)c1	753303126	PXOJPDNDVZJCLM-RBJHHQRMSA-N	369.852	4.545	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)c(F)c1)C(=O)c1cccc(Cl)c1	754681134	YSJFXLGJJZVOMX-WUXMJOGZSA-N	351.711	4.870	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C/c1c(C(C)C)nn(Cc2ccccc2)c1Cl	754686661	VBZDWEDDNZYKTE-MHWRWJLKSA-N	355.869	4.840	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=C(C)CC2CCOCC2)cc1	757560195	KPDOXQPMXKGHAF-UHFFFAOYSA-N	360.498	4.568	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccncn1	758914385	VGLLCVPNHVGCIP-UKTHLTGXSA-N	352.191	4.563	50	20	FJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)Nc1ccccc1Cl	761393711	SSTDKXKBFCAZQJ-CLFYSBASSA-N	356.756	4.966	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(Cl)nc1Cl	761479922	XUQABGIWIBGHBA-WQLSENKSSA-N	356.212	4.968	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1c(Cl)cccc1Cl	763617452	KQNFYQJZDBWSRJ-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1CCC(C(F)(F)F)CC1	768107060	YBAJKGXOBLGQTR-UHFFFAOYSA-N	372.284	4.656	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c2)cs1	785046709	PGRHVDZUZIOGIL-CXUHLZMHSA-N	363.417	4.803	50	20	FJGD	
N#C/C(=C\c1csc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1	810218778	XILVMDPHPBPTQZ-OQLLNIDSSA-N	359.859	4.893	50	20	FJGD	
CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(OCCCCl)cc2)c1	811685300	OPHQAZAMNJFGHX-FLIBITNWSA-N	357.837	4.549	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1cc2sc3ccccc3c2s1	817008564	XHAINMUHLQJAAI-UHFFFAOYSA-N	359.863	4.921	50	20	FJGD	
CCc1ncc(CNc2ccccc2S[C@@H](Cl)C(F)(F)F)cn1	840909082	OJEYLBYYXNZCEF-CQSZACIVSA-N	361.820	4.870	50	20	FJGD	
NC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179980	VKOAZXQXFKJBRN-GWCFXTLKSA-N	373.391	4.983	50	20	FJGD	
C[C@@H](CN(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	841840970	METGOOIIWWDTJC-QMMMGPOBSA-N	362.320	4.528	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(CSC(F)F)o2)c1C	7164420	JOTSKHQUEOBICT-MDWZMJQESA-N	362.401	4.898	50	20	FJGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	174054434	KSERHLSFVMZYCX-NTEUORMPSA-N	361.228	4.685	50	20	FJGD	
CCc1ccc(C(=O)NN=Cc2ccc(Oc3cccnc3)c(C)c2)cc1	732711336	KEUVOUQYUIQKRO-UHFFFAOYSA-N	359.429	4.509	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1OCCCC#N	735619716	PQOOSPVRZPRBOP-SFQUDFHCSA-N	372.428	4.627	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl	740022066	BAJMUUJKBKCTRV-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CC[C@@](C)(NC(=O)CCCC[C@H]1CCSS1)c1nc(C)cs1	741715507	ZOHZJZOWCREKCY-XJKSGUPXSA-N	358.598	4.907	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c1	748353780	SBBMKJZEPJGUCY-UHFFFAOYSA-N	362.477	4.544	50	20	FJGD	
O=C(Cc1ccc(-c2ccccc2)cc1)NNc1ccc(OC(F)F)cc1	748643775	PPKDDJOJHPGUHM-UHFFFAOYSA-N	368.383	4.641	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1OC	749453717	VBEKJSIPNBHJNF-HNDQUVLASA-N	353.393	4.801	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)c(C)c1	760209410	BKCACODVKITJKY-SXGWCWSVSA-N	351.475	4.882	50	20	FJGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1	776266137	OKLMVFPSCKPHET-WJDWOHSUSA-N	357.356	4.865	50	20	FJGD	
CC(C)(C)Oc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cn1	778704840	FQBUKFPUFGDRSF-OAHLLOKOSA-N	368.568	4.589	50	20	FJGD	
O=C(NNc1ccccc1F)c1cccc(F)c1Sc1ccccc1	781349357	ZIBQVPJRKBVOEP-UHFFFAOYSA-N	356.397	4.873	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)c1ccc(OC(F)F)cc1	782197761	XSXUKPIGYFTLRH-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
Cc1c(/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(C(C)C)cc2)cc(C#N)n1C	783454247	BAAPJLDUSWYOFZ-OBLBUWMUSA-N	361.445	4.540	50	20	FJGD	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	786888880	KLBUCBLZFVZFOY-YDRQLGOLSA-N	374.362	4.538	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)c(Cl)c1	797153936	SIGKEVGGBMZDQZ-OQLLNIDSSA-N	351.793	4.771	50	20	FJGD	
N#Cc1cccc(C(=O)NN=C2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1	799479058	URXJLXYWGBLLCQ-OAHLLOKOSA-N	371.362	4.631	50	20	FJGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CCC[C@H](c2cccnc2)C1	799869001	FHQRQGVKEBYXQB-AWEZNQCLSA-N	373.909	4.657	50	20	FJGD	
CCCC[C@H](C)C(C)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	807959685	XUNGHXFHZRTQPT-ZDUSSCGKSA-N	373.522	4.938	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccc(OC(F)(F)F)cc3)cc2c1	810537116	ZMWSJUDOKGGZMC-UHFFFAOYSA-N	366.364	4.865	50	20	FJGD	
COc1cc(C(=O)NNc2c(C)cccc2C(C)C)ccc1OC(C)C	812770041	ZDUBXSKSXHQNKD-UHFFFAOYSA-N	356.466	4.671	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(-c2csnn2)cc1	812927296	XMAWGLVGSLECHA-UHFFFAOYSA-N	367.478	4.786	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNCCC2(C(=O)O)CCC2)c1	1776269110	NPRINLAJOKPMPE-UHFFFAOYSA-N	363.574	4.805	50	20	FJGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1cc(F)c(F)cc1F	173621497	WFDIQUINUFIKHX-LBPRGKRZSA-N	365.399	4.626	50	20	FJGD	
CC(C)(C)OCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	182328797	FFJFPDMRQRPQQH-LBPRGKRZSA-N	355.809	4.660	50	20	FJGD	
O=C(NO[C@@H]1CCCCO1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192263814	FJDDUXOKZVCYRT-LLVKDONJSA-N	362.320	4.924	50	20	FJGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(N=Nc2ccccc2)cc1	255551199	SBIOFDDBLCVXQG-UHFFFAOYSA-N	367.800	4.694	50	20	FJGD	
CCc1oc2ccccc2c1C=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	730548250	XWCBSKAYGKPABE-MRXNPFEDSA-N	364.445	4.530	50	20	FJGD	
CCCCN(CC)c1ccc(C(=O)NNc2nccc3sccc23)cc1	734247110	UTNGYGDCVDYLNF-UHFFFAOYSA-N	368.506	4.680	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(Cl)ccn2)c1C	735886831	WCRBYHQJHXJBTF-LICLKQGHSA-N	371.868	4.604	50	20	FJGD	
C[C@@H]1c2c(F)cccc2CCN1C(=O)CCCC[C@H]1CCSS1	737966222	WTSYFAUDKFLLBS-HIFRSBDPSA-N	353.528	4.986	50	20	FJGD	
CC[C@@H](NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccc(F)cc1	738418695	ZDDGQWVKHRFYGO-QGZVFWFLSA-N	369.465	4.643	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2ccc(C3SCCS3)cc2)c(C)c1	743764881	AZZAMTASUSXHPL-UHFFFAOYSA-N	358.532	4.847	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c1	748048168	JIXCVDZQOIATMR-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
C[C@H](C(=O)NNc1cccc2cnccc12)c1ccc(Cl)c(Cl)c1	748767138	JQUDSVFRSZGDNQ-NSHDSACASA-N	360.244	4.788	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cnc1Cl	760210147	KKTGOTIXFJWHDK-KPKJPENVSA-N	365.742	4.608	50	20	FJGD	
CC(C)(C)OC1CC(CCNC(=O)NNc2ccc(Cl)cc2Cl)C1	764500780	AAOZNNNFPNVGEW-UHFFFAOYSA-N	374.312	4.603	50	20	FJGD	
C[C@H](NC(=O)NNc1ccccc1)[C@@H](C)c1ccccc1C(F)(F)F	766834178	LFUCHONHWNSQRV-OLZOCXBDSA-N	351.372	4.524	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccc2c(c1)COC2	770082320	RRFFDZRSXIWSCD-UHFFFAOYSA-N	372.639	4.826	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(-c2nccs2)cc1	771098149	UQDDHXMRDWLDTF-UHFFFAOYSA-N	362.817	4.751	50	20	FJGD	
CSCCc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	771143339	ZLMJCEHWVTYMOC-UHFFFAOYSA-N	353.850	4.533	50	20	FJGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	773152635	RTFJTQLGTRUYKF-NTEUORMPSA-N	374.293	4.537	50	20	FJGD	
O=C(CCCc1ccc2ccccc2c1)NNc1cccc2cnccc12	775781546	FHWBXNNJXDVIKE-UHFFFAOYSA-N	355.441	4.854	50	20	FJGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NNc1ccc2ccccc2n1	777463137	DBRFIGNGHQLUHQ-QJPKHSJYSA-N	361.445	4.569	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1	777872386	SHOAIDQNQXIKHI-VBKFSLOCSA-N	351.377	4.571	50	20	FJGD	
Cn1nc(C2CCCC2)cc1NC(=O)CCCC[C@@H]1CCSS1	782098524	OECHWUBSYSTTIH-CQSZACIVSA-N	353.557	4.730	50	20	FJGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@H](C(F)(F)F)C3)cc2C1	783510128	VMNKCIHHWJMGCC-JQWIXIFHSA-N	358.429	4.711	50	20	FJGD	
CCCOc1cc(OC)ccc1C(=O)NNc1c(Cl)cccc1Cl	789814951	AHKQFTDGHLCXBE-UHFFFAOYSA-N	369.248	4.548	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)C(=O)Nc1ccccc1F	790100419	BXHHEVQBUVGHLU-ZRDIBKRKSA-N	368.314	4.910	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1c(-c2ccccc2Cl)noc1C	799758493	NVJIUMWLNALDDL-UHFFFAOYSA-N	369.852	4.931	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCCC2=O	810562284	FYRSPBHUSLVNBG-UHFFFAOYSA-N	363.244	4.659	50	20	FJGD	
O=C1CCCCN1c1cccc(NCc2ccc(OCCCCl)cc2)c1	811469217	WOFGBLBGEDBHKJ-UHFFFAOYSA-N	372.896	4.823	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)c3cc(C(F)(F)F)ccn3)sc2c1	812246745	TWJWXZSTZKQIEC-POHAHGRESA-N	361.348	4.783	50	20	FJGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(Oc2cccnc2)cc1	813872653	DZKLKLARAIYYCI-OAHLLOKOSA-N	363.255	4.622	50	20	FJGD	
COc1ccc(NNC(=O)[C@@H](C)c2cccc(Cl)c2)c(C(F)(F)F)c1	816703845	VPEATQDIJJZSSK-JTQLQIEISA-N	372.774	4.614	50	20	FJGD	
O=C(c1cccc(CCl)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	1336301979	ADNHQPKKTKRPDX-RYUDHWBXSA-N	373.724	4.628	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	96988973	ANWGUUPUINXOOL-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1	119238420	YXYVKWPANDWCOA-UHFFFAOYSA-N	369.515	4.809	50	20	FJGD	
CCC(=O)c1ccc(OCCCCC(=O)NNc2ccccc2Cl)cc1	120409990	UMTSLEMBLUUGGM-UHFFFAOYSA-N	374.868	4.625	50	20	FJGD	
CO[C@H]1CCCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	184406060	PVPQCFXXTOMDGD-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
CC(C)[C@](C)(O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184408921	PKZCRYHJEWNMJH-CYBMUJFWSA-N	362.364	4.873	50	20	FJGD	
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)OC(C)C	207912502	JVQGTRQBIWIXOC-AQTBWJFISA-N	371.440	4.706	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(c2ccc(O)cc2)CC1	247955119	MYVBKHRIKQBYQF-GOSISDBHSA-N	365.564	4.812	50	20	FJGD	
C=CC[C@H](C)C(C)=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	727776582	BEFPEDUCFQTTPF-KRWDZBQOSA-N	372.472	4.857	50	20	FJGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1cccc(Cl)c1	736453583	FQFSQDQPPIIDTB-UHFFFAOYSA-N	356.775	4.780	50	20	FJGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)Nc1cccc2ccccc12	737442364	CLOZOZQVIRKHSU-XNTDXEJSSA-N	372.815	4.687	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3ccc(Cl)nc3)cs2)cc1	743819025	XJXZJBJFUSCXRP-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1	750791728	OHROGLWUYKZSRU-IFRROFPPSA-N	370.374	4.563	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Br)cc1	752809851	BTSNCWKIKZBNHP-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H](CO)CC1CC1	762980231	NSQYKECMCIJGCD-NSHDSACASA-N	360.348	4.627	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(C(F)(F)F)nc1	775691355	SYYQJPCTTCIURC-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CN(Cc1csc2ccccc12)C(=O)/C(C#N)=C\c1ccc(F)cc1	785271768	GNLBKIHHYJXFBG-GDNBJRDFSA-N	350.418	4.606	50	20	FJGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@@H]1C[C@H]1c1ccc(Cl)s1	788407907	HZWQZSVZRHRRCT-QWHCGFSZSA-N	357.866	4.792	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F	791734645	NHFMFMOJHCTVFF-CHWSQXEVSA-N	357.187	4.518	50	20	FJGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C(C)(C)C)cc1	793802123	YMQRXSRKRRVFLP-UHFFFAOYSA-N	363.461	4.958	50	20	FJGD	
Cn1c(/C(C#N)=C/c2c(Cl)nc3cc(Cl)ccn23)nc2ccccc21	794695843	PZYZQAIDPBFUOB-DHZHZOJOSA-N	368.227	4.592	50	20	FJGD	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1OC	794952665	HPDAQYGCKSJBKF-UIMCMNAESA-N	371.477	4.557	50	20	FJGD	
C/C(N)=C(/C#N)c1nc(-c2cc(C)n(Cc3cccs3)c2C)cs1	798227740	SMQVBLQQAZISQX-FOWTUZBSSA-N	354.504	4.552	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)Cc1csc(-c2ccc(C)cc2)n1	799755406	DKLFOUXTBNVHQC-UHFFFAOYSA-N	365.502	4.675	50	20	FJGD	
Cc1ccc2sc(C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)cc2c1	810687332	WUZNZEDAWMARNO-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
CC[C@@H](C)n1ncc(C(=O)NNc2c(C)cccc2C(C)C)c1C1CC1	812765569	MZVWDRIAEIUQRQ-OAHLLOKOSA-N	354.498	4.920	50	20	FJGD	
N#CCCCCCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015279	UXWYEVFJTLFYRR-UHFFFAOYSA-N	367.293	4.641	50	20	FJGD	
C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	817312217	WWMVOEFFVCXDBZ-GHMZBOCLSA-N	374.375	4.826	50	20	FJGD	
CCc1nc(C)c(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)o1	844345641	VHKUSDYLYRYFLB-UHFFFAOYSA-N	352.595	4.779	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2)c1C	915990410	POERRSNLSQTQLS-WOJGMQOQSA-N	361.470	4.708	50	20	FJGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1	916140244	HLGOELPKQXAVKJ-VBKFSLOCSA-N	359.385	4.629	50	20	FJGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)c1ccc2ccccc2c1	917545005	LBDMNYCPVAREDI-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
CCCn1cccc1/C=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1	918184218	HXCKYELBEAUHGI-ACCUITESSA-N	361.417	4.758	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1OC	44027086	GIUSGYIRWSGDER-ZSOIEALJSA-N	364.376	4.504	50	20	FJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H](c2ccsc2)O1	156148047	XQEHPFMWQHLCIG-BMFZPTHFSA-N	371.593	4.751	50	20	FJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC	211505582	MQBOCZPWRUJNQJ-PTNGSMBKSA-N	370.836	4.683	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1[N+](=O)[O-]	213898308	YFIIJRNXXIHFDX-VBKFSLOCSA-N	363.417	4.885	50	20	FJGD	
ClCCCOc1ccc(CNCc2nnc(-c3ccccc3)s2)cc1	367945541	XFDHFUDTIXDHEC-UHFFFAOYSA-N	373.909	4.503	50	20	FJGD	
Cc1ccc(-c2ncc(C=NNC(=O)CCCc3ccccc3)s2)cc1	734299378	NZWSNCFNTKZYAJ-UHFFFAOYSA-N	363.486	4.592	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OCC(F)F)cc2)c1C	742350236	UPTKVXRRGYIYDQ-BOPFTXTBSA-N	370.399	4.725	50	20	FJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3cccc4cnccc34)sc21	748773530	SYIONNYKIVBBEL-UHFFFAOYSA-N	372.453	4.698	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)Nc1ccccc1Cl	761391997	JVIWZKUHXAFHFE-XFFZJAGNSA-N	360.175	4.550	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc2ccccc2cc1OC(F)F	762275839	WDBUFITWOILLQP-UHFFFAOYSA-N	362.763	4.852	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccccc3OC(F)(F)F)cc2C1	779208805	BMVWRBTZMCBULC-SNVBAGLBSA-N	370.396	4.528	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1	780373105	DDMALLJWEKZUOY-MKMNVTDBSA-N	361.319	4.512	50	20	FJGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)c1cccc(C(F)(F)F)c1	780373863	HXGZPHRKELEQEH-XNTDXEJSSA-N	373.330	4.657	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1nccs1	782178649	CTBKZPLZURTSRK-LLVKDONJSA-N	352.790	4.615	50	20	FJGD	
Cc1c(COC(C)(C)C)cccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787410472	JZEMSNNNQSVDDA-PDGQHHTCSA-N	364.445	4.561	50	20	FJGD	
COc1ccc2nc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)sc2c1	788687972	HYDZQUCSNUKMKW-DHZHZOJOSA-N	369.833	4.504	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccccc1Br	791716984	DSBUDONBMRBEDU-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]nc1-c1ccccc1Cl	812765698	ROQDWZCAMVOAHK-UHFFFAOYSA-N	368.868	4.919	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cnn(C2CCCC2)c1-c1ccccc1	817345798	JXKGDJOKNGPQIH-VBKFSLOCSA-N	351.425	4.889	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)c1C	875538860	WLUPQNCBXCXLQN-RGEXLXHISA-N	364.493	4.517	50	20	FJGD	
COc1ccccc1S[C@@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1	921264436	RAVQGHGSDYHGHY-NHLWYUBBSA-N	368.483	4.698	50	20	FJGD	
COc1c(Br)cccc1/C=C(\C#N)C(=O)c1ccccc1C	1325761226	IWDINRCPJPOSDH-GXDHUFHOSA-N	356.219	4.556	50	20	FJGD	
O=P(CCN1CC[C@H]2CCCC[C@@H]2C1)(c1ccccc1)c1ccccc1	1340736615	ZQXFVLXEETYZNG-NHCUHLMSSA-N	367.473	4.513	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(/C=C/C(=O)O)o2)CC1	1776779070	NEIUDJTURUUUCD-VBEVGYOXSA-N	355.434	4.850	50	20	FJGD	
C[C@@H](Sc1ccc(F)cc1F)C(=O)/C(C#N)=C1\Nc2ccccc2S1	26590558	NPVCGLUVHGOXRX-LFAWPXTESA-N	374.437	4.967	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(/C#N)c1nc2ccccc2[nH]1	50548674	BCZRKUJXWBFGAJ-WJDWOHSUSA-N	373.847	4.834	50	20	FJGD	
C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	174796269	OHUWYDXTYSTEKW-SKDRFNHKSA-N	352.809	4.922	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1	181156311	CBDRHQTUBDOBLH-UHFFFAOYSA-N	374.488	4.804	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)cc1)c1cnc2ccccc2n1	191354619	WPFKBTKDXZYDSA-NTEUORMPSA-N	355.319	4.635	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2Cl)c(C)c1	588424903	HZBNEUIORUGPOZ-NVNXTCNLSA-N	369.808	4.719	50	20	FJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1C	728287207	QNUIIGBGAJTWLJ-RIYZIHGNSA-N	362.260	4.977	50	20	FJGD	
CC(C)C(=NNC(=O)c1ccc(Br)s1)C1CCCCC1	733907297	MTYMKHUVQOLMOQ-UHFFFAOYSA-N	357.317	4.833	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc2c(Cl)cccc2s1	740092909	CMGBQBPGNZKGAY-UHFFFAOYSA-N	371.771	4.725	50	20	FJGD	
CC(C)(C)C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)c1ccc(Cl)cc1	745838153	GXZWERIJSYMKEZ-CQSZACIVSA-N	369.893	4.556	50	20	FJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Nc1ccc(F)cc1	752879477	VJMGHCRSDJRNEI-QXMHVHEDSA-N	359.788	4.605	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(CCO)CC1	752989940	GUOSNHAFQIYGFD-UHFFFAOYSA-N	374.375	4.970	50	20	FJGD	
Cc1cc(C)cc(NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	775391898	PHFABZOODQECMH-UHFFFAOYSA-N	374.444	4.829	50	20	FJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)c1ccc(OC(F)F)cc1	776268784	VKFLOCCKEFAEAR-GDNBJRDFSA-N	366.323	4.733	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1cccc2ccccc12	776634906	GBEGIAOFUXSRGW-VPULJAIHSA-N	368.436	4.816	50	20	FJGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)c1ccc(Cl)cc1F	789149451	YXHSJMTZNOCNKT-POHAHGRESA-N	358.781	4.985	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CCC[C@H](OC)C1	796558950	WLWIDALZHDNVSR-YOEHRIQHSA-N	360.523	4.918	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ncc(-c2ccccn2)s1	804226598	RXKBKBACVCCDJW-LBPRGKRZSA-N	365.549	4.858	50	20	FJGD	
ClCCCOc1ccc(CNCCc2nc3ccccc3s2)cc1	811507021	OGFSKAYLQGCVRM-UHFFFAOYSA-N	360.910	4.636	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2oc(C(C)C)nc2C)c1C	813227672	OVVXMCARDCBUAX-ZDLGFXPLSA-N	369.465	4.585	50	20	FJGD	
CCCN(N=C1CCC[C@@H](CCCC(=O)OC)C1)C(=O)OC(C)(C)C	814927270	FOBMMCNZSJDDBH-HNNXBMFYSA-N	354.491	4.523	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2ccc(Cl)cc2)s1	817010348	XOGKDSLAWWDHFU-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1	916979203	XBQCNXCDMVRVDI-LBPRGKRZSA-N	353.249	4.521	50	20	FJGD	
COc1cc(/C=C(/C#N)c2ccc3ccccc3n2)ccc1OC(F)F	917144792	OSZJUUIPZREIDM-GDNBJRDFSA-N	352.340	4.909	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCOc2c(Cl)cccc21	919827556	OCROGCSFKWUXNZ-IUODEOHRSA-N	371.955	4.994	50	20	FJGD	
CC(C)(C)[C@H](Br)c1nnc(-c2cc(-c3ccccc3)on2)o1	1345563592	WMWCTRJCQCDYCA-CYBMUJFWSA-N	362.227	4.874	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnc3ccccc3c2)c1C	25156334	KJQVRFVOEAPOGS-YBFXNURJSA-N	358.445	4.609	50	20	FJGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	33411172	JUYNLOAYMCCIQB-UYPHOHSBSA-N	356.425	4.633	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCC(F)F)cc2)c(C)c1	132472015	GQPLCGKCWINFFU-YVLHZVERSA-N	370.399	4.801	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCN(C2CCCCC2)CC1	177268225	COPYBKYDAJEOOF-GOSISDBHSA-N	370.628	4.614	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3ccnc(F)c3)c3ccccc3n2)cc1	182513231	ANRFRZHSXKLXKX-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
C[C@H](O)[C@H]1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192255538	YHKWUKFSMKVTDO-UWVGGRQHSA-N	360.348	4.579	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1C	208507523	ZPCIRGJTTLMMCA-FPXKJXHESA-N	367.468	4.781	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2cccs2)c(OC)c1	726595025	SMYDIMFMDCATRO-KNGSKEOJSA-N	355.459	4.858	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	729149563	JSGDVDKMKDPYGQ-YBEGLDIGSA-N	366.848	4.908	50	20	FJGD	
COC(=O)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1Cl	735660730	NXVJNGZCFCEQFW-GFCCVEGCSA-N	373.927	4.779	50	20	FJGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)sc1-c1ccc(F)cc1	735698082	ZBXCBJOAPPATQR-UHFFFAOYSA-N	362.376	4.898	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3c(C)noc3C)c2C)c1	748636270	KDBWTHWNCQQYSL-ODLFYWEKSA-N	374.444	4.553	50	20	FJGD	
O=C(CCc1ccccc1)NN=Cc1c(Cl)ccc(Cl)c1Cl	749746086	ZHCPHZZZIYAKON-UHFFFAOYSA-N	355.652	4.730	50	20	FJGD	
CC(C)CCN1CCC(CNC(=O)CCCC[C@@H]2CCSS2)CC1	750860980	RZLKYLLNQYFXAN-GOSISDBHSA-N	372.644	4.575	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)F)c2)c1C	751244429	VDXBBGMKVXUVLA-YVLHZVERSA-N	357.404	4.998	50	20	FJGD	
COc1cc(C)c(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	751449160	ZTIYXCGOHCNDRN-YBEGLDIGSA-N	360.413	4.592	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1	767405835	VGSGUQIUSSKXGI-SFYZADRCSA-N	373.177	4.944	50	20	FJGD	
Cc1sc(CC(=O)NNc2cc(Cl)ccc2Cl)nc1C(C)C	789996695	VNQXNTBNLSGAQB-UHFFFAOYSA-N	358.294	4.568	50	20	FJGD	
COc1cc(NNC(=O)c2cccc(-c3nc(C)cs3)c2)ccc1Cl	790185809	BKHGSMQZEYICIT-UHFFFAOYSA-N	373.865	4.537	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc2occc2c1	794691234	ZTXAFIWKAACBGU-DHDCSXOGSA-N	366.804	4.949	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccc4ncccc4c3)co2)cc1	794964629	GKHNCPFIGQWEKL-XDHOZWIPSA-N	365.392	4.988	50	20	FJGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1ccc(Br)s1	811635019	JNAJELGUMCMVTK-UHFFFAOYSA-N	355.301	4.731	50	20	FJGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	812243007	APBQRAKDSRATPX-WUXMJOGZSA-N	367.273	4.782	50	20	FJGD	
C[C@H](c1cccs1)N(C)CCP(=O)(c1ccccc1)c1ccccc1	917075697	SYAJFJLZUZXKBL-GOSISDBHSA-N	369.470	4.755	50	20	FJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1cccc(Cl)c1Cl	920064537	DTYMFAYQHHLASY-UXBLZVDNSA-N	364.257	4.873	50	20	FJGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045371	BQRJJWKZUFOAPP-UHFFFAOYSA-N	373.412	4.516	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1	1967140	XHUQKGLZQAHUTL-RIYZIHGNSA-N	352.242	4.640	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OC(F)F	7156258	IRJNDWOGGHHKTD-NTEUORMPSA-N	360.335	4.590	50	20	FJGD	
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\C#N)C(=O)C(C)C)cs1	55040212	ZFZZBYBBDBTIAZ-NTUHNPAUSA-N	373.865	4.613	50	20	FJGD	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)c1ccccc1	96766795	PJRBUZWYHNZENO-PDGQHHTCSA-N	361.832	4.683	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc(-c2ccncc2)nc2ccccc12	120796192	SCNGYCDSXWQPDI-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
CSc1ccc(Cl)c(C(=O)NNc2ccccc2Br)c1	178907229	SSCGPVHSLVVJBL-UHFFFAOYSA-N	371.687	4.581	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(SC(F)F)cc1	181298842	ZVOBKEFLAUWVBS-UHFFFAOYSA-N	359.401	4.615	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OC(C)C	206901830	VUJSVOLPNHMKSJ-WJDWOHSUSA-N	354.837	4.981	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC)cc2)cc1Cl	213124516	ZQCHKDMLQUMMBR-LCYFTJDESA-N	358.850	4.616	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc(Cl)c1O	255138746	HYJNFDUTKOHRLV-WMZJFQQLSA-N	366.175	4.637	50	20	FJGD	
C[C@@H]1CCN2C(=O)N(c3cccc(S(F)(F)(F)(F)F)c3)C(=O)[C@H]2C1	277935051	DRGWLRQCEUUXKW-BXKDBHETSA-N	370.343	4.911	50	20	FJGD	
CC(=O)N1CC[C@](C)(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	368140137	YXKZMYUWIDGMNJ-AWEZNQCLSA-N	372.359	4.541	50	20	FJGD	
CC(C)c1ccc2cc(C(=O)NNc3nccc4sccc34)[nH]c2c1	734250464	YVJBGPWXYPAMIR-UHFFFAOYSA-N	350.447	4.658	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc3ccccc3c2)ccc1Br	734254005	MYIRAAZYEWFUSN-UHFFFAOYSA-N	355.235	4.668	50	20	FJGD	
Cc1cccc(C2(C(=O)NNc3ccc(OC(F)F)cc3)CCCC2)c1	748661528	UHMPGVWULVKZNS-UHFFFAOYSA-N	360.404	4.552	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	750796645	XEDDDRYCIDSRKF-UCPVTOPLSA-N	366.280	4.753	50	20	FJGD	
N#C/C=C\CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	763301285	OHLWPADOFKMRMR-PLNGDYQASA-N	352.850	4.760	50	20	FJGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)c1cc2c(s1)CCCCC2	766016104	SBJXDMOBWYWGIQ-UHFFFAOYSA-N	358.429	4.855	50	20	FJGD	
N#C/C(=C/c1cc(Br)ccc1Cl)C(=O)c1ccsc1	767713417	JVVVKOFBJZHBFV-WZUFQYTHSA-N	352.640	4.954	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c(OC)c1	780527535	OEMOSNKXHLRWSF-ZSOIEALJSA-N	361.319	4.512	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1C#N)c1ccc(Cl)cc1Cl	787175587	CJINAVBJENRSBD-IYVNWDGISA-N	370.239	4.649	50	20	FJGD	
COc1cc(NC(=O)NNc2cccc(C(F)(F)F)c2)ccc1Cl	788760860	LGDUMGSAZSPVQU-UHFFFAOYSA-N	359.735	4.516	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccccc1NC1CCCCC1	795073838	RMJJXALCPRINOC-UHFFFAOYSA-N	363.383	4.605	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1cnn(-c2ccccc2)c1	807389099	UUWNXKYBDNFQHQ-KRWDZBQOSA-N	362.520	4.630	50	20	FJGD	
Cc1cc(C(=O)NN=C2CCC[C@@H]2C(C)(C)C#N)c(C)n1-c1ccccc1	814703457	CQBWGLGAOMNNDY-IBGZPJMESA-N	362.477	4.530	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc12	915982679	VXJBPMYVRPYMDQ-UYPHOHSBSA-N	356.425	4.633	50	20	FJGD	
N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2ccccc2)no1	916131068	AKUBVGRWLFLNGH-UVTDQMKNSA-N	352.191	4.563	50	20	FJGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1cc3ccccc3o1)O[C@H](C)C2	916545808	ZDRQAZLOEIUYKX-RSQQOUAVSA-N	359.381	4.555	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccc(F)cc1	17700584	MJGFYUNPIHPJES-RQZCQDPDSA-N	365.795	4.514	50	20	FJGD	
CCCOc1c(/C=C(\C#N)c2nc3ccccc3n2C)cccc1OCC	23217911	VTHSMVNHIKLMAL-SAPNQHFASA-N	361.445	4.825	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(-c2cccs2)c1)c1nnc2n1CCCCC2	77553199	MSRKTYOGNBSILD-PTNGSMBKSA-N	364.449	4.936	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C\c1csc(-c2cccs2)n1)c1ccccc1	97546138	YOHXNKVXSMTNMZ-NWFCWYBLSA-N	365.483	4.656	50	20	FJGD	
Cc1ccccc1-n1nccc1NC(=O)CCCC[C@H]1CCSS1	733288521	CXLCEYZFLOIQDX-HNNXBMFYSA-N	361.536	4.833	50	20	FJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1	734980102	FTFJTBAYBYSZRP-LCYFTJDESA-N	362.376	4.995	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@@H](SC)C2)c1C	735264391	LBRZURIVGJFEAB-NUMRFLCSSA-N	373.566	4.602	50	20	FJGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C)C1CCC1	737588877	KWSOJFQNGPAJHC-XMHGGMMESA-N	353.510	4.918	50	20	FJGD	
C[C@H]1c2ccc(F)cc2CCN1C(=O)CCCC[C@@H]1CCSS1	737965816	UCQXDTULXGPYQR-XJKSGUPXSA-N	353.528	4.986	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccnc3C)c2C)c1	744774441	KQSKQLSAJRQJBK-MOSHPQCFSA-N	370.456	4.652	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2ccc(Cl)s2)n1	748571732	MZIATRKQRLCWKA-UHFFFAOYSA-N	367.858	4.729	50	20	FJGD	
CCOc1ccc(-c2nc(C(=O)NNc3ccc(Cl)cc3)cs2)cc1	749276594	ZDOGNWMGQQFGRI-UHFFFAOYSA-N	373.865	4.619	50	20	FJGD	
CCCc1c(C(=O)NNc2cc(Cl)ccc2Cl)[nH]c(C)c1C(C)=O	752813001	OGDMCYXXYVOLMZ-UHFFFAOYSA-N	368.264	4.542	50	20	FJGD	
CC(C)Sc1cc(Br)ccc1/C=C(/C#N)c1ccncn1	758916189	PIVXEYBWPZGAAS-QPEQYQDCSA-N	360.280	4.804	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C(F)F)cc2)cc1	764502437	DEDOZQPZFNNADO-BOPFTXTBSA-N	357.356	4.673	50	20	FJGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2c(F)cccc2F)C1	767085044	YGQLNHSOPVTQMT-LSDHHAIUSA-N	354.441	4.564	50	20	FJGD	
Cc1ccc(S[C@@H](C(=O)N2CC=C(C#N)CC2)c2ccccc2)c(C)c1	780688215	AJAAZPNRZFYAMP-OAQYLSRUSA-N	362.498	4.819	50	20	FJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1c(Cl)cccc1Cl	782305569	JRVYUGUMVPMTEK-UXBLZVDNSA-N	364.257	4.873	50	20	FJGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cnc(-c2ccc(Cl)cc2)s1	789148473	PQCLLSKLANVOCX-OQLLNIDSSA-N	366.895	4.543	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ncc(C(C)(C)C)s2)c(C)c1	790603033	XXIGZWHWTCZEMD-DHDCSXOGSA-N	353.491	4.912	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccccc1Oc1ccncc1	801169867	DAPSITGMSUOVQM-UHFFFAOYSA-N	374.227	4.938	50	20	FJGD	
C[C@H](Cc1cnn(C)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	837532359	MKRGKEAHMLNHSS-SNVBAGLBSA-N	369.359	4.895	50	20	FJGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)CCCC[C@H]2CCSS2)c1	839903438	GWOGIVHDVCNPPA-SZMVWBNQSA-N	365.564	4.629	50	20	FJGD	
CCC[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1	913187609	ILBDCKPWYXJNGL-MRXNPFEDSA-N	353.853	4.915	50	20	FJGD	
CC(C)Oc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cc1	915070270	MBKBCNXPQREYQS-GOSISDBHSA-N	367.580	4.847	50	20	FJGD	
O=C(Nc1c(F)cccc1F)NN(Cc1ccccc1)c1ccccc1	915306233	MPDSDKPRARLDLN-UHFFFAOYSA-N	353.372	4.708	50	20	FJGD	
Cc1ccc(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1Cl	1326288810	YBTPBKSSMXOCIQ-CQSZACIVSA-N	356.775	4.828	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1OC	11333572	DDXONZXLYVWDOJ-MHWRWJLKSA-N	353.805	4.703	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1Br	44028487	OAPXZTGQMDRKDZ-GHXNOFRVSA-N	362.248	4.618	50	20	FJGD	
N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)Nc1ccccc1	72057945	ILOHREJZHHJJQV-AUWJEWJLSA-N	371.223	4.858	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)c1ccc(Br)s1	107417724	XRIDWLVXNAUFQN-TWGQIWQCSA-N	354.175	4.579	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(Oc2ccccc2)o1	132889852	LVVZGKKMQZFRDZ-UHFFFAOYSA-N	364.188	4.531	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C2SCCS2)c1	181796655	XDNPSUWYQLSZAZ-XNTDXEJSSA-N	370.474	4.850	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OC	211442103	OHHHOMXRJWZGGB-DHDCSXOGSA-N	370.836	4.601	50	20	FJGD	
CC(C)COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1	730144900	KJLBHOCKIOEVAX-UHFFFAOYSA-N	365.260	4.792	50	20	FJGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	732926317	MEEXJCPDFQDKGI-OQLLNIDSSA-N	357.356	4.703	50	20	FJGD	
CC(C)c1ccc(-c2nc(C(=O)NNc3c(F)cccc3F)cs2)cc1	735692165	IEHNKCDRWDGKBL-UHFFFAOYSA-N	373.428	4.969	50	20	FJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	750802252	WOPGFCXOLGINCR-IGVAADOJSA-N	370.855	4.789	50	20	FJGD	
CCCC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)C1CCC1	754351491	PMBHPHUYIUDMNS-QHCPKHFHSA-N	369.489	4.949	50	20	FJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Br)c(Br)c1	757525264	FFAUSPSGLMCUER-UXBLZVDNSA-N	371.072	4.734	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Cl)oc3ccccc23)cc1	761202890	YTXHLAPRYFMFRL-UVTDQMKNSA-N	357.818	4.733	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2nc3ccc(F)cc3s2)c1C	761392549	NLYITTDOCOCDIC-ZROIWOOFSA-N	365.433	4.830	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)c1	763091420	IYJYZHMAFWWZBK-CYBMUJFWSA-N	357.504	4.537	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1C#N	766288868	MRKPXPIUZFCRDQ-OQLLNIDSSA-N	369.396	4.727	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(SCC)c1	769725102	LFADMWKHQMOBBU-VBKFSLOCSA-N	352.459	4.743	50	20	FJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H](c1ccccc1)N(C)C	771506342	FXBBFEOAARQTGE-KVSKMBFKSA-N	366.596	4.508	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(-c2ccccc2)n1	771520838	NVVSTTKJXHFKNJ-NTEUORMPSA-N	360.417	4.900	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)c1nc(-c2ccccc2)no1	771838337	OUKDECAAPRVPEA-MDWZMJQESA-N	359.282	4.959	50	20	FJGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1	773152799	SPKBFNFLHSBJPL-RIYZIHGNSA-N	374.293	4.537	50	20	FJGD	
C#C[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCO1	775776505	GJAFNDRKFTVDBV-OLZOCXBDSA-N	370.343	4.646	50	20	FJGD	
CCCCNc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	779449087	SUBIUPCIDVOVSY-UHFFFAOYSA-N	367.371	4.554	50	20	FJGD	
C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C1	780913719	MWSMRFWPHUWICB-UWVGGRQHSA-N	365.389	4.811	50	20	FJGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1	794694279	CCMJJEFLWHWGNW-JSAOQESESA-N	365.788	4.513	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1C#N)c1ncc(C(F)(F)F)cc1Cl	811688915	TXEDLNBHKJTNQB-ONNFQVAWSA-N	351.690	4.829	50	20	FJGD	
N#CCCCOc1cccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812246344	JNQMTWHKOFAVJI-GDNBJRDFSA-N	357.335	4.847	50	20	FJGD	
COc1ccc(/C=C(/C)C(=O)NNc2c(C)cccc2C(C)C)cc1F	812766740	ODDFCFLMTCMPSZ-PTNGSMBKSA-N	356.441	4.813	50	20	FJGD	
O=C(NN=C1CC[C@H]1C1CC1)c1ccc(COc2ccc(Cl)cc2)cc1	814726954	FSRKECNAXJCEPH-IBGZPJMESA-N	368.864	4.825	50	20	FJGD	
CCCCOc1ccc(C(=O)NN=C2CC(c3ccccc3)C2)cc1OC	814754814	CTBTWAGDHHQCPY-UHFFFAOYSA-N	366.461	4.538	50	20	FJGD	
CCC(CC)(CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841178311	CECFRSAUCSNOQN-UHFFFAOYSA-N	361.380	4.983	50	20	FJGD	
O=C(CCSCc1ccccn1)NN(c1ccccc1)c1ccccc1	916732065	YWZKNAJANNUAKD-UHFFFAOYSA-N	363.486	4.574	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)c3nc(-c4ccncc4)cs3)cc2)cn1	1326879820	PHIAYZRVXRCTML-VCHYOVAHSA-N	369.453	4.670	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OC	6410762	VDLZDQXPHAMJPU-QGOAFFKASA-N	364.445	4.728	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1nccs1	23724445	UVGNWXIEQGISLI-FMIVXFBMSA-N	355.806	4.602	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(-c2ccco2)on1	27588034	XRVXJGZWOYUISD-UHFFFAOYSA-N	372.595	4.652	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c(Cl)c1OC	107066718	JODRERDWWHTKPA-ZROIWOOFSA-N	367.788	4.893	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(F)c(Cl)cc1F	155746655	LUPRUYXYJNTQBP-UHFFFAOYSA-N	351.567	4.682	50	20	FJGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc(OC)c1O	179608065	BPYRHHHUXGQMLB-RIYZIHGNSA-N	371.795	4.712	50	20	FJGD	
Cc1noc(CCCC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	183984443	STEIBFIFPPZCEN-UHFFFAOYSA-N	371.331	4.997	50	20	FJGD	
C[C@H]1[C@@H](C)OCCN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184421216	CRKZEVHKEIQXFZ-VHSXEESVSA-N	360.348	4.985	50	20	FJGD	
CCO[C@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	195654173	ZCYMLPYJTOGHGK-HNNXBMFYSA-N	373.667	4.868	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccc(Nc2ccccc2)c1	740128257	NELDLDRGIRADAF-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
CCCC(CCc1ccccc1)=NNC(=O)c1cc(-c2ccccc2)on1	740760747	LXPRNQVLXDAOAT-UHFFFAOYSA-N	361.445	4.860	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC(F)(F)F)c(C)n1C1CCCCC1	742925981	ILUILSJGPSNWFN-WJDWOHSUSA-N	367.415	4.586	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCc1c(F)c(F)cc(F)c1F	752056276	AOIVWDSGGOTSEW-SECBINFHSA-N	367.433	4.573	50	20	FJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1	756784698	XLZQFJNZTMQUKM-XNTDXEJSSA-N	353.328	4.711	50	20	FJGD	
N#C/C(=C\c1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccncn1	758917682	XZMSFRGZDCHUDO-BJMVGYQFSA-N	359.241	4.971	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc3[nH]c(-c4cccs4)nc23)c1	759971781	XDILHJUQNHPMLH-UHFFFAOYSA-N	362.458	4.665	50	20	FJGD	
COc1nc2ccccc2cc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	764106548	AKRQDYMEDXHAND-GZTJUZNOSA-N	370.437	4.826	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc(Cc3ccccc3)s2)cc1	780804826	LOOZVIMPFRRKNA-UHFFFAOYSA-N	365.502	4.788	50	20	FJGD	
Cn1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(C2CCCCC2)n1	791727500	XPKYSGHSULDEDL-UHFFFAOYSA-N	367.280	4.532	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C#N	799496986	CBRYIBIQALIRHE-LSCVHKIXSA-N	368.421	4.626	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1Oc1ccncc1	801176420	IDYAKDCZBJESPD-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1	801231005	PCELWDHQZIHTOT-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccn2Cc2ccccc2C#N)cc1C	809145660	CKQULCDPFGHICN-LPYMAVHISA-N	365.436	4.815	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])cn1	812241517	FMSJHSJCNCNTIW-XNTDXEJSSA-N	361.332	4.985	50	20	FJGD	
Oc1nc(CCCCl)nc2sc3c(c12)CC[C@@H](c1ccccc1)C3	824021499	IQYAULGDWVHMRT-CYBMUJFWSA-N	358.894	4.841	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2oc3ccc(Br)cc3c2C)c1	857491300	PVRIAWJZWZQKDE-UHFFFAOYSA-N	373.250	4.877	50	20	FJGD	
Cc1nc(-c2cccs2)c(CC(=O)NNc2ccccc2Cl)s1	912646637	IZODXNRTDLMLMO-UHFFFAOYSA-N	363.895	4.519	50	20	FJGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1cc(C)n(CC(F)(F)F)c1C	918184665	PIQYWYNIEOCRMZ-GDNBJRDFSA-N	363.383	4.669	50	20	FJGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccccc3C)cs2)cc1	1248474647	JXSCTSKSBCUQKU-WJDWOHSUSA-N	360.438	4.917	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2ccc(Cl)cc2C1	90445181	JDSWDYLKYIJIGO-INIZCTEOSA-N	355.956	4.939	50	20	FJGD	
CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccccc1F	153070556	ZAXPVUUFWGQQPY-UHFFFAOYSA-N	366.392	4.774	50	20	FJGD	
COc1ccc(OCc2nc(/C=C(\C#N)c3nc(C)cs3)cs2)cc1	194335507	LGQGDGLHVLSWTP-NTUHNPAUSA-N	369.471	4.560	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cccnc2Cl)c1C	303088420	CLCAAIAIZZWLQR-WQRHYEAKSA-N	371.868	4.604	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	735698741	UPHUPKHZRCVQTA-NXEZZACHSA-N	357.187	4.518	50	20	FJGD	
CC[C@H](C(=O)NNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1)c1ccccc1	737557737	LZBQAXXWDZDLKV-UTKZUKDTSA-N	366.505	4.645	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2c(s1)-c1ccccc1CC2	746700235	UOFPWKISOXVVGG-UHFFFAOYSA-N	374.387	4.688	50	20	FJGD	
CCC(=NNC(=O)c1sc2nc(C)cc(C)c2c1N)C1CCCCC1	750933562	JTXRBVDAKLWCKR-UHFFFAOYSA-N	358.511	4.571	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1COc2ccc(Cl)cc21	762192443	RMJDVDYGQNJPHP-OCCSQVGLSA-N	357.928	4.604	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccccc2Cl)c(Cl)c1	771422372	PHJCPLQGXXTZJV-UHFFFAOYSA-N	353.249	4.929	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(F)c1	772177923	CCQOJFNAWIQSAD-PTNGSMBKSA-N	362.316	4.784	50	20	FJGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143962	GWDUOFZINJRQJR-WZUFQYTHSA-N	366.339	4.968	50	20	FJGD	
CC[C@H](C)n1nc(NC(=O)NNc2ccc(Cl)cc2Cl)cc1C	776026597	QHRCJCDWHWQYOV-VIFPVBQESA-N	356.257	4.618	50	20	FJGD	
COC(C)(C)CC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	782178761	DOYUJKNRAYNCSL-LBPRGKRZSA-N	355.809	4.660	50	20	FJGD	
O=C(CC1CC(c2ccccc2)C1)NNc1ccc(OC(F)(F)F)cc1	798981285	FLVYRHQTKKSCKC-UHFFFAOYSA-N	364.367	4.612	50	20	FJGD	
ClCCCOc1ccc(CN(Cc2ccccc2)Cc2cc[nH]n2)cc1	811462220	WEZVHVDZKOHYPE-UHFFFAOYSA-N	369.896	4.620	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1	839890202	HGNKZHVJGVPHIF-RWMBFGLXSA-N	371.371	4.577	50	20	FJGD	
CN[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179215	LQABUZVEJWDPIC-LLVKDONJSA-N	359.364	4.560	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(-c2ccncc2)cs1	849211097	CPNMYDMWSVWXMN-CYBMUJFWSA-N	365.549	4.858	50	20	FJGD	
CCOc1ccc(NNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)cc1	857511864	BNRLOWXNBIKAQK-GFCCVEGCSA-N	367.276	4.714	50	20	FJGD	
CC(CCc1ccccc1)=NNC(=O)c1sc(-c2ccccc2)nc1C	916349544	PDRIYMAHQKCOMA-UHFFFAOYSA-N	363.486	4.857	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccccc2F)s1)c1ccccc1Cl	1317785745	VPKCUHFHVQTURL-UHFFFAOYSA-N	358.825	4.972	50	20	FJGD	
Cc1ccc(NNC(=O)[C@@H](C)c2ccc(Br)s2)cc1Cl	1318883810	FCQMNKNJXYVUHV-VIFPVBQESA-N	373.703	4.719	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C/c2cccn2C2CC2)c(C)n1CC(F)(F)F	1345075940	AUZBPVPRQNMORE-NTEUORMPSA-N	361.367	4.594	50	20	FJGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)c1nc(-c2ccc(C#N)cc2)cs1	66407956	YDDLZCDYQDMDTN-RZNTYIFUSA-N	364.411	4.716	50	20	FJGD	
O=C(NCCCn1cccn1)Nc1ccc(S(F)(F)(F)(F)F)cc1	181781099	ZHYSCDRKEWFJSB-UHFFFAOYSA-N	370.347	4.752	50	20	FJGD	
CC[C@@H](C)C(C)=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	254743107	MYRPUVCZTZMPMK-MRXNPFEDSA-N	360.461	4.691	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	254942439	LJMUSNRMXMAHGV-PTNGSMBKSA-N	367.474	4.745	50	20	FJGD	
C[C@@H]1CCN2C(=O)N(c3cccc(S(F)(F)(F)(F)F)c3)C(=O)[C@@H]2C1	277935076	DRGWLRQCEUUXKW-SKDRFNHKSA-N	370.343	4.911	50	20	FJGD	
Cc1ccc(C2CC(=NNC(=O)c3cc4c(s3)CCCCC4)C2)cc1	729815947	BIOKOGAEEIGKOI-UHFFFAOYSA-N	352.503	4.989	50	20	FJGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1	731835626	LBWXNPOCMPDYFJ-UKTHLTGXSA-N	351.768	4.573	50	20	FJGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1)c1cccc(Br)c1	741767978	QEYITLQZCBXUHW-OAHLLOKOSA-N	371.278	4.578	50	20	FJGD	
CC[C@]1(C)CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	744419259	HTVMKYQSKREMBO-JOCHJYFZSA-N	355.462	4.513	50	20	FJGD	
COc1ccccc1/C(C)=C/C(=O)NNc1ccc(Cl)cc1Cl	748008144	FSEAVWMIUHKFFP-PKNBQFBNSA-N	351.233	4.549	50	20	FJGD	
CC(C)[C@@H](C(=O)NNc1nccc2sccc12)c1cccc(Cl)c1	749535681	AUOKPEUCMKPSQK-MRXNPFEDSA-N	359.882	4.833	50	20	FJGD	
C[C@H]1C[C@@H](NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCN1C	762979411	IZQUEKAIWDZVAY-JQWIXIFHSA-N	373.391	4.948	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CC[C@@H](C)[C@H](C)C3)s2)cc1	767362747	ZBWIUDCLJHIOQB-CHWSQXEVSA-N	371.506	4.548	50	20	FJGD	
N#Cc1ccc(Oc2ccc(NC(=O)NNc3ccc(F)cc3)cc2)cc1	769983595	NCZNYFOWRWZNOP-UHFFFAOYSA-N	362.364	4.638	50	20	FJGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(SCc3ccccc3)cc2)cc1	771885050	URCSJQKCICBRHX-UHFFFAOYSA-N	371.465	4.614	50	20	FJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)c1ccc(OC(F)F)cc1	776268785	VKFLOCCKEFAEAR-XNTDXEJSSA-N	366.323	4.733	50	20	FJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)c1cccc(C(F)(F)F)c1	780526036	ASPHTLFBKDPXRA-NYYWCZLTSA-N	355.237	4.913	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1csc(-c2ccc(F)cc2)n1	785352422	YQUXCIMGPNCIEG-MHWRWJLKSA-N	364.401	4.600	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc2c(s1)CSCC2	804359859	KPZJYYHMXNXQBT-JTQLQIEISA-N	360.595	4.585	50	20	FJGD	
CC(C)c1ccc2occ(C(=O)NNc3nc(C(F)(F)F)cs3)c2c1	807036882	HJCMSWWENYMLJF-UHFFFAOYSA-N	369.368	4.788	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(CC(F)(F)F)cs1	819296548	TWECBYDRRIFZGJ-SNVBAGLBSA-N	370.487	4.901	50	20	FJGD	
CN1CC[C@@H]2CN(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)C[C@@H]21	836498859	VNXXSGJPUVUTTG-MFKMUULPSA-N	371.375	4.512	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1[C@H]2CC[C@H]1COC2	839028289	PXMIYIDZKDLYOZ-QWRGUYRKSA-N	358.332	4.739	50	20	FJGD	
CCOc1ccc(NNC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)cc1	857512351	LYYYKUSDQWJXNS-UHFFFAOYSA-N	370.493	4.541	50	20	FJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1cccs1	917054902	AULIJLSWXUSWPY-UHFFFAOYSA-N	369.470	4.584	50	20	FJGD	
C[C@]1(CO)CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	1321076805	SJDSOLHQDTXSMN-AWEZNQCLSA-N	374.375	4.970	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(-c3cccc(C#N)c3)o2)c(C)n1CC(C)C	1329074245	KRNMDVXBMMGHFX-KEBDBYFISA-N	371.444	4.747	50	20	FJGD	
Cc1cc(/C=C(/C#N)c2nnc(-c3ccnnc3)o2)c(C)n1C1CCCCC1	1331942171	WNPHUVQKJHDJOU-WQRHYEAKSA-N	374.448	4.514	50	20	FJGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	16441501	CIYAQCHNALWRMP-KPKJPENVSA-N	351.749	4.519	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)c1nc(-c2ccncc2)cs1	126327756	WQZYSLZIEJCGMX-ZROIWOOFSA-N	373.416	4.798	50	20	FJGD	
CC(C)N(C1CC1)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181637893	WOFBCYKXIBYRFF-UHFFFAOYSA-N	365.389	4.906	50	20	FJGD	
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183489228	RDSHBTMXYMNMLF-VHSXEESVSA-N	374.375	4.833	50	20	FJGD	
O=C(NCC1=CCCOC1)Nc1cccc(S(F)(F)(F)(F)F)c1	286924118	AALLILOQGRVLBX-UHFFFAOYSA-N	358.332	4.812	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2sc(C)nc2C)c1C	729206208	JVRIYPSTYAPYBT-VCHYOVAHSA-N	371.506	4.629	50	20	FJGD	
O=C(NN=Cc1cc(Cl)ccc1OC1CCCC1)c1ccccc1F	743423091	KGPGFHRTWOGRMK-UHFFFAOYSA-N	360.816	4.564	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccc(Cl)cc2)cn1)c1ccccc1	749273202	FWLRQMPSHIIJRZ-AWEZNQCLSA-N	367.836	4.632	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1	752627082	YAOPBEXMPNGICN-UHFFFAOYSA-N	373.243	4.516	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1SCCc2sccc21	752810578	JYCWKACAVWECNF-CYBMUJFWSA-N	359.303	4.529	50	20	FJGD	
COc1cc(SC)ccc1NC(=O)NNc1ccccc1C(F)(F)F	772640634	KTKORQVSLJBOCY-UHFFFAOYSA-N	371.384	4.585	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3Cl)n2)cc1	783687447	CFEAKACLIWLFQU-ZSOIEALJSA-N	366.764	4.671	50	20	FJGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1coc(-c2ccc(Cl)cc2)n1	785350913	KIIUYIXXLXJCPQ-YBEGLDIGSA-N	364.788	4.645	50	20	FJGD	
N#C/C(=C/c1cc(O)cc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1F	811628161	PKDQCWFVQANYBF-KMKOMSMNSA-N	369.701	4.993	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	811685957	INOLWURJLJJWNI-WCIBSUBMSA-N	360.175	4.550	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H](C)N1C	836512394	PKUAKABULFOSEE-PHIMTYICSA-N	373.391	4.900	50	20	FJGD	
C[C@@]1(C(=O)O)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	841841377	QHNKRSJEGXJUGU-CYBMUJFWSA-N	374.331	4.673	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc(-c3ccc(C)cc3)n2)c1	918712004	FYQNPVGCHGKWST-LICLKQGHSA-N	360.438	4.917	50	20	FJGD	
Cc1ccc(NNC(=O)c2cc(C)c(OC(F)F)c(C)c2)cc1Cl	1318325948	FORDTHIJHNMRMH-UHFFFAOYSA-N	354.784	4.624	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ncoc2C(C)C)c1C	1337091459	SKXHAVVSXMIYDX-ZDLGFXPLSA-N	369.465	4.667	50	20	FJGD	
COc1ccc(CN(C(=O)CCCC[C@H]2CCSS2)C2CC2)cc1	105016729	OQKSCJBXCNNTCX-SFHVURJKSA-N	365.564	4.900	50	20	FJGD	
Cc1cc(NNC(=O)c2ccccc2C(F)(F)F)ccc1Br	114889730	COSUJLHMTCPYBC-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1	123652627	UKUGMOZIDPKGCV-UHFFFAOYSA-N	351.837	4.776	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(NC(C)=O)cc1	175625566	IHQTVJTWASNSMY-UHFFFAOYSA-N	367.474	4.595	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)c(Br)c1	178868423	QWNRYZGWQOZXLK-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)C(=O)Nc1ccccc1	193747835	IKVAIPMNRXQKLC-SSZFMOIBSA-N	370.437	4.608	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1O	212593481	JKFJABWGCWUZJE-ZSOIEALJSA-N	360.335	4.574	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc3ncccc3c2)c1C	733696645	WRQIUYINZQIKEL-FYJGNVAPSA-N	373.456	4.714	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1	741705539	HALIBFOAXXQRLC-LFIBNONCSA-N	374.362	4.736	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cccc(OC(F)F)c2)c1C	747033816	KIEJUFGIXHCKAB-MHWRWJLKSA-N	358.388	4.906	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(F)c(C(F)(F)F)c1	748017669	JZXBORGSCIVQEL-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NN=CCSCc1ccccc1)c1ccc(Cl)cc1Cl	774339839	AQFGZLGSTGZMQN-UHFFFAOYSA-N	353.274	4.642	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1sc(-c2ccccc2)nc1C	774342177	FQXIAOWUHFTJIG-UHFFFAOYSA-N	369.412	4.957	50	20	FJGD	
CC(CCCC(F)(F)F)=NNC(=O)Cc1nc(-c2ccccc2)cs1	774360577	HRHUQLOSMDZVIK-UHFFFAOYSA-N	369.412	4.577	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1Cc2ccccc2-c2ccccc21	787054485	OMLPLHXVKNKRRU-AQTBWJFISA-N	352.393	4.513	50	20	FJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1	788022356	NARSNBZACUFKPY-OAQYLSRUSA-N	361.602	4.821	50	20	FJGD	
CCc1c(C(=O)NNc2ccccc2C(F)(F)F)cnn1C(CC)CC	790255875	XCKIYXIBNVQWOL-UHFFFAOYSA-N	368.403	4.582	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1OC	794885235	PMVZEQKHWCQOHK-UNOMPAQXSA-N	370.408	4.598	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1	794943960	ASIRUMLPNYOHAH-YRNVUSSQSA-N	366.225	4.631	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797398867	LYWDJPWXGNHSCV-VBKFSLOCSA-N	350.491	4.855	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC[C@H]1O	806422203	OKVCZIJVDJNHHF-BXKDBHETSA-N	360.348	4.579	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1318878492	FEWMLBLNFOYQJR-LICLKQGHSA-N	366.848	4.691	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1cccc(Cl)c1	1337804873	JLQIUJJCEUYMDM-UHFFFAOYSA-N	355.825	4.875	50	20	FJGD	
N#C/C(=C\c1ccc(-n2cnc3ccccc32)cc1)C(=O)c1ccc(F)cc1	7119024	NPEPZTZMWXEYEP-QGOAFFKASA-N	367.383	4.954	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc2[nH]c3c(c2c1)CCCC3	68772953	USNTXLPNZSAIBO-UHFFFAOYSA-N	373.378	4.822	50	20	FJGD	
O=C(NNc1ccc(F)cc1Br)c1cc2ccccc2s1	153887121	DZOIWWLSTMXOAS-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
CO[C@H](C)CCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	180897916	RXFXNYKZGHSTCT-NOZJJQNGSA-N	355.809	4.660	50	20	FJGD	
O=C(NC[C@H]1CC[C@@H](O)C1)Nc1ccc(S(F)(F)(F)(F)F)cc1	192261319	SPUUZOHFXLTCQL-GXSJLCMTSA-N	360.348	4.627	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)cc1)c1cnc2ccccc2n1	588580978	WPFKBTKDXZYDSA-ZROIWOOFSA-N	355.319	4.635	50	20	FJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1ccc(Cl)cc1Cl	730732768	QARNPSMRQNPQBN-POHAHGRESA-N	353.155	4.817	50	20	FJGD	
CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)CC(C)(C)C	754704348	CLBXNPOWVFEQNA-UHFFFAOYSA-N	374.916	4.595	50	20	FJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Br)c(Br)c1	757528030	SAVQJMMNSFRBST-VKRGWIQLSA-N	371.072	4.734	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccc[nH]3)c2C)cc1	760741532	UZIRTEIUKQNBTN-VJOZSWGJSA-N	372.472	4.515	50	20	FJGD	
Cc1cc(Cl)ccc1C=NNC(=O)c1ccc(COc2ccccc2)o1	767367622	LYDSUEJGDCYBSG-UHFFFAOYSA-N	368.820	4.584	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3nc4ccccc4[nH]3)c(F)c2)cc1C	768501376	DFHGRYJKHKCJMC-UHFFFAOYSA-N	374.419	4.743	50	20	FJGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(SCc2ccccc2)cc1	768503123	HYXDSICPLMFVMJ-UHFFFAOYSA-N	374.469	4.612	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](F)Cc1ccccc1	777928548	NYAQDBFGSXMLFY-SFHVURJKSA-N	356.466	4.904	50	20	FJGD	
N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)C(=O)C1CCCC1	781555438	JGYYOMRUWBHCTL-CIAFOILYSA-N	356.425	4.804	50	20	FJGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(C2CCCCC2)n1	783687340	BJKAKYSFFPZKJA-MHWRWJLKSA-N	353.853	4.911	50	20	FJGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(Cl)s1)O[C@@H](C)C2	783688064	RQDQZVMFNDAVJR-FYTLYHSASA-N	359.834	4.523	50	20	FJGD	
CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H](O)c1ccccc1	790399912	HUSMWHOHKDPOPZ-WDSOQIARSA-N	367.580	4.575	50	20	FJGD	
COC(=O)N(C)N=C(C)c1ccc(-c2ccccc2Br)s1	794959899	YDFDHESXTOLDMK-UHFFFAOYSA-N	367.268	4.600	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	801569380	PEUNWMNTHGWANH-ZBURBNGTSA-N	360.432	4.670	50	20	FJGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)c1ncc(C(F)(F)F)cc1Cl	810250827	MLCOAGKHLRKASG-WZUFQYTHSA-N	366.726	4.589	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)C(=O)C(C)(C)F)c1	834446864	DOTFFAUXSDHFLV-GDNBJRDFSA-N	369.440	4.538	50	20	FJGD	
Cc1csc([C@@H](NC(=O)NNc2cccc(Cl)c2Cl)C2CC2)n1	838493327	XRVAZCAYEAKYAG-ZDUSSCGKSA-N	371.293	4.536	50	20	FJGD	
C[C@H]1C[C@@H](CN)CN1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191494	ZSWUJMKNSCMZEG-UWVGGRQHSA-N	359.364	4.545	50	20	FJGD	
N#C/C(=C1\COc2ccc(F)cc21)c1nc(-c2ccc(C#N)cc2)cs1	920066939	PGGXJZZKXSKROH-MSUUIHNZSA-N	359.385	4.648	50	20	FJGD	
C[C@@H](CC[S@@](C)=O)NCc1cccc(S(F)(F)(F)(F)F)c1	921831186	VDCTVJKNSQFKAF-WVDJIFEKSA-N	351.406	4.591	50	20	FJGD	
CCCc1cc(C(=O)NNc2ccc(Br)cc2)sc1C	932512709	FCJPXZGIRXDNEN-UHFFFAOYSA-N	353.285	4.528	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1F	1319783989	ZGNJVGHWKLXPLY-WUXMJOGZSA-N	367.273	4.782	50	20	FJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1cc(F)c(F)c(F)c1	127843116	JBCJRIMAMVSENP-UHFFFAOYSA-N	360.788	4.626	50	20	FJGD	
COC[C@@H](NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	184425287	MYBSNZINVFATFY-GFCCVEGCSA-N	360.348	4.891	50	20	FJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1cc(Cl)cc(Cl)c1	209918432	YDASTYHODIGRIM-ONNFQVAWSA-N	353.155	4.817	50	20	FJGD	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)n1CC(F)(F)F	212173279	UWMZNKBOBRJCFY-ZSOIEALJSA-N	350.315	4.596	50	20	FJGD	
CN(Cc1nc2ccccc2s1)C(=O)CCCC[C@H]1CCSS1	248102716	IANFUJSUDOJCMQ-ZDUSSCGKSA-N	366.577	4.969	50	20	FJGD	
C[C@H](C#N)CN(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	264130553	MWTMEKXLUACYEY-BXKDBHETSA-N	365.808	4.529	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c2c(c1)C[C@@H](C)O2	727743672	GLQYOAOKUKUMCE-LFMVTYOGSA-N	372.424	4.598	50	20	FJGD	
COc1cc(C(C)=NNC(=O)c2cccc3ccccc23)ccc1SC	741462536	IWUJEZIIMONNIB-UHFFFAOYSA-N	364.470	4.724	50	20	FJGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1cc2ccccc2o1	741848462	MMEKFKBIHUIFGX-DHDCSXOGSA-N	353.324	4.867	50	20	FJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1cccc2c1CCCC2	748585354	HXBTXUIDWYSFFN-UHFFFAOYSA-N	357.457	4.693	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3coc(-c4ccccc4)n3)c[nH]c2c1	749891997	QEORRRYVBYTHAY-YBEGLDIGSA-N	353.381	4.921	50	20	FJGD	
Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)c(Br)c1	755180818	RIHRSLSKJBBHIF-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
Cc1ccnc(NNC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1	755856077	KGQNGEYLZSUKBP-UHFFFAOYSA-N	368.440	4.671	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1cc(Cl)ccc1Cl	759074949	YXOGYSFRESNUCI-CLTKARDFSA-N	358.637	4.649	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2F)c1C	776350355	JGNYAFBEROTCRR-PDGQHHTCSA-N	353.441	4.898	50	20	FJGD	
Cc1nc(-c2cccc(NC(=O)[C@@H](Br)C(C)(C)C)c2)oc1C	781080360	WOIDPJFUMIHXNL-CQSZACIVSA-N	365.271	4.707	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1OCc1ccccc1	781553744	WPSKHZFTOCTISZ-MOSHPQCFSA-N	361.441	4.940	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c2c(c1)C[C@H](C)O2	783714004	DWHYBERYCPNQAP-FYTLYHSASA-N	359.834	4.523	50	20	FJGD	
CSC1(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1	790077964	IJSVSEOYIRCQSC-PDGQHHTCSA-N	371.550	4.529	50	20	FJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)Nc1ccccc1Br	790100705	SHYNQUFBTSFFFJ-JXMROGBWSA-N	367.655	4.710	50	20	FJGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2ccc(COc3ccccc3)o2)C1	794477394	AQMVYNWWTVTMRG-INIZCTEOSA-N	354.450	4.791	50	20	FJGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)n1	794873206	QRIIPZRCTHWUDW-JYRVWZFOSA-N	361.417	4.924	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C)n(CC(F)(F)F)c1C	794951479	CRUOMNTZHPRQLG-UHFFFAOYSA-N	367.415	4.856	50	20	FJGD	
CCCN(N=C(C)c1nc2ccccc2n1C(F)F)C(=O)OC(C)(C)C	794996542	SNUYRDBJMXTXKX-UHFFFAOYSA-N	366.412	4.803	50	20	FJGD	
C[C@H](Oc1ccccc1NC(=O)NNc1ncccc1F)c1ccccc1	806273266	SPYROBDIXSTQSQ-AWEZNQCLSA-N	366.396	4.509	50	20	FJGD	
CC(C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1	915991133	VRLKJHXHFGGRRS-SFQUDFHCSA-N	359.404	4.810	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cs2)cc1	918713426	LEOODXBEBUXYJE-XNTDXEJSSA-N	363.417	4.803	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(O[C@H](C)CC)c2)cc1	919998350	XIUUJOUJPAZPOW-OKSBFYSISA-N	364.445	4.808	50	20	FJGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1	1318225791	HNQGWMHTLZKYKH-GOSISDBHSA-N	373.884	4.606	50	20	FJGD	
COc1ccc(Cl)cc1CCNC(=O)CCCC[C@@H]1CCSS1	1327994918	UYIPUVFKRVQBQM-OAHLLOKOSA-N	373.971	4.721	50	20	FJGD	
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(/C#N)C(=O)C(C)C)cs1	55040211	ZFZZBYBBDBTIAZ-QPEQYQDCSA-N	373.865	4.613	50	20	FJGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	173015173	ONGXGHFKYUONEY-RIYZIHGNSA-N	361.228	4.685	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC1CCN(C2CCCCC2)CC1	177268244	COPYBKYDAJEOOF-SFHVURJKSA-N	370.628	4.614	50	20	FJGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)C(=O)c2ccsc2)c1Cl	255777648	RPBWBEOPPBBZAZ-ZROIWOOFSA-N	353.834	4.592	50	20	FJGD	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)[C@@H](C)CC)o2)cc1	726429634	MMCVLDLELZFDHS-IQGJIOQQSA-N	351.402	4.645	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C\c2nc(-c3ccccc3)cs2)n1	727973852	AHNQHIWBBVMMER-JYRVWZFOSA-N	367.455	4.507	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1F	729148929	DAMXUOLHFFVQDY-NVNXTCNLSA-N	364.342	4.905	50	20	FJGD	
Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	742429126	IGPPEDIUWCLICC-RVDMUPIBSA-N	361.426	4.790	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	749887399	WRZMDTUDYHFJLH-GDNBJRDFSA-N	363.804	4.849	50	20	FJGD	
N#C/C(=C/c1cc(F)cc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	755403688	BXPCODDWMNQKFX-ACAGNQJTSA-N	374.195	4.610	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2ccccc2)no1	755407909	SLYBUMNKMSRAQO-MDWZMJQESA-N	359.282	4.959	50	20	FJGD	
COc1cccc(-c2nn(C(C)(C)C)cc2/C=C(/C#N)C(=O)CC(C)C)c1	759643520	NAYYKADIYMBQFA-BOPFTXTBSA-N	365.477	4.836	50	20	FJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccc(OC(F)(F)F)cc1	759656891	BACWGMMMGZJZNI-PKNBQFBNSA-N	370.758	4.785	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(F)c(Cl)c1F	761040858	MLKPVJNRAOMZRO-UHFFFAOYSA-N	368.170	4.577	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H](CCO)C1	762974361	FNDUCTUMNFFJNB-NSHDSACASA-N	374.375	4.970	50	20	FJGD	
Cc1noc([C@H](C)NC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)n1	762978843	SAMHAXMTJITAPD-ZETCQYMHSA-N	372.319	4.918	50	20	FJGD	
O=C(NN=C1CC2(CCC2)C1)c1ccc(COc2ccc(Cl)cc2)cc1	772833177	MMENYGWIVZSGCJ-UHFFFAOYSA-N	368.864	4.969	50	20	FJGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2c(F)cccc2s1	777477985	AKCRZSQXWQBDKK-UHFFFAOYSA-N	351.406	4.654	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc(O)c3c(C)c(C)sc3n2)cc1F	782301330	BJVQRVOFUCOLLO-QPEQYQDCSA-N	369.421	4.616	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccnc(C2CC2)c1	783401313	LRVXVEMQAAKHIF-UHFFFAOYSA-N	351.475	4.909	50	20	FJGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1Oc1ccncc1	787714780	AQGQDTIJBDZXIQ-GHRIWEEISA-N	373.387	4.867	50	20	FJGD	
C[C@H](Oc1ccc(C(=O)NNc2ccccc2F)cc1)c1ccccc1	788513217	OYZYCNOFZRXQMQ-HNNXBMFYSA-N	350.393	4.723	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1c[nH]nc1-c1ccccc1F	791176460	NSMNAJYLFAJRST-GFCCVEGCSA-N	365.499	4.868	50	20	FJGD	
N#C/C(=C/c1c(Cl)nc2cc(Cl)ccn12)c1nc2ccccc2[nH]1	794692900	YSUQTFLPZRGOTD-YFHOEESVSA-N	354.200	4.582	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C(F)(F)F)cn2)sc2cc(F)ccc12	807267755	CBYVWWLMJFWZPB-UHFFFAOYSA-N	369.343	4.520	50	20	FJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)c1ccc(F)cc1	811626905	PYAJFSAXFLOABT-WZUFQYTHSA-N	365.147	4.831	50	20	FJGD	
Cc1ccc2snc(C(=O)NNc3ccc(Cl)cc3Cl)c2c1	815850163	AIJHSUDOGPKFAH-UHFFFAOYSA-N	352.246	4.668	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC[C@@H]2COC[C@@H]21	839026866	BJLOJNILHUSKKL-MFKMUULPSA-N	372.359	4.987	50	20	FJGD	
NC[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841178946	IQZSXPNFRFIYSP-JTQLQIEISA-N	359.364	4.547	50	20	FJGD	
CC1(C)CC(NC(=O)C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	850717104	MDMXWIGSCUJDJM-UHFFFAOYSA-N	372.359	4.587	50	20	FJGD	
O=C(NNc1ccccc1)c1ccc(COc2ccc(Cl)cc2)cc1	868149454	HKNDNVQNIBVBSJ-UHFFFAOYSA-N	352.821	4.676	50	20	FJGD	
CC1CCC(N(C)CCP(=O)(c2ccccc2)c2ccccc2)CC1	917053996	QDIOLMNYWGQSSS-UHFFFAOYSA-N	355.462	4.511	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(NC(=O)C(F)(F)F)c2)c1	918713003	GANMLIAKTINENU-SXGWCWSVSA-N	372.346	4.594	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cccnc1Sc1ccccc1	120369626	NLUCPCDVDFQUBX-UHFFFAOYSA-N	355.850	4.643	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1	193264025	VJGNKOWRIWKRHR-XSFVSMFZSA-N	366.424	4.562	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1occc1Br	735305862	YURGDULHCOGSLJ-DHZHZOJOSA-N	355.191	4.622	50	20	FJGD	
C[C@H](CNC(=O)CCCC[C@H]1CCSS1)Sc1ccccc1	742786026	QTZWHXPIBPOAAX-ZBFHGGJFSA-N	355.594	4.998	50	20	FJGD	
Cc1c(NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cccc1[N+](=O)[O-]	748681521	QSLCEPRSZVTVSO-UHFFFAOYSA-N	371.393	4.528	50	20	FJGD	
COc1ccc([C@@H]2CCN(C(=O)CCCC[C@@H]3CCSS3)C2)cc1	749857055	AHXJXWQQPRFLKC-SJLPKXTDSA-N	365.564	4.725	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Cl)ccc2Cl)cc1	753715319	QZOXETDYQUNMOE-DHDCSXOGSA-N	352.242	4.640	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1cccc(C(F)(F)F)c1	780529820	ZYTXKPZJTRHXIY-WUXMJOGZSA-N	351.711	4.854	50	20	FJGD	
CCC(C)(C)OCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787515469	QIYDIRICKASVND-QGOAFFKASA-N	364.445	4.643	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3cc(Cl)cc(Cl)c3)c2c1	791733209	CHBAFSDOOGUBLQ-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2c(Cl)cccc2Cl)c1C	792478425	MUMVYNIZCVUDIU-SECBINFHSA-N	356.257	4.618	50	20	FJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(Br)c1OC(F)F	794875161	QQUKTTNWAWSENM-DHZHZOJOSA-N	372.209	4.963	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1cc(F)c(C(F)(F)F)cc1F	804648687	IMOGUKGHQJUQOD-UHFFFAOYSA-N	358.310	4.611	50	20	FJGD	
COc1ccc(C(=O)/C=C/c2ccc(OCCCCl)cc2)cc1OC	811685171	KUSFDNPECWSLJX-UXBLZVDNSA-N	360.837	4.608	50	20	FJGD	
CCOc1ccc(NNC(=O)Cc2coc3ccc4ccccc4c23)cc1	817899367	JSACGWVUVZHPFP-UHFFFAOYSA-N	360.413	4.671	50	20	FJGD	
NCC[C@@H]1CCCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	841179788	SFEDWPAPQOGHPQ-NSHDSACASA-N	373.391	4.937	50	20	FJGD	
CCO[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	930845331	NSXNQXYXOUFBRI-NSHDSACASA-N	360.348	4.987	50	20	FJGD	
Cn1c(/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21	6210665	HPHDVUGIFSXORY-NTCAYCPXSA-N	370.368	4.806	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1F	78494006	PBSCVCCMHVWJHK-LCYFTJDESA-N	362.376	4.995	50	20	FJGD	
CCOc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1OCC(F)(F)F	171019630	MWMNQZWYCKBXBF-RIYZIHGNSA-N	355.356	4.549	50	20	FJGD	
Cc1cc(C(=O)NNc2ncccc2Cl)c(C)n1[C@H](C)c1ccccc1	172268065	QIMDARXYGMLOTO-CQSZACIVSA-N	368.868	4.520	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnc4c(C)cccn34)n2)cc1	172691911	PILKLLOAOUUQRE-MHWRWJLKSA-N	372.453	4.839	50	20	FJGD	
CC(C)(C(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccccc1	731152417	GPHYJWFYTWZINC-UHFFFAOYSA-N	372.468	4.694	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2ccc(OCC(F)(F)F)c(F)c2)sc1C	758061998	GDYYGFLJXHFGEP-LFYBBSHMSA-N	356.344	4.904	50	20	FJGD	
N#C/C(=C/c1cnn(Cc2ccccc2Cl)c1)C(=O)c1ccccc1F	767917291	PEFBHYSJCHGBLA-SXGWCWSVSA-N	365.795	4.514	50	20	FJGD	
CC(C)OCc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1	771129309	YGVKAPIUZHDUIG-UHFFFAOYSA-N	351.809	4.553	50	20	FJGD	
C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(S(F)(F)(F)(F)F)cc2)C1	780912242	BAWHAJJFLTYDNM-VHSXEESVSA-N	365.389	4.811	50	20	FJGD	
O=C(NNc1cc(Cl)ccn1)c1cccc(F)c1Sc1ccccc1	781357022	WTRMBNNCLPFZIC-UHFFFAOYSA-N	373.840	4.782	50	20	FJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)NCc1cccc(Cl)c1	786056098	LZEMRFVUKSVGKD-XDHOZWIPSA-N	373.843	4.625	50	20	FJGD	
Cc1ccc(N(Cc2ccco2)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1C	787346346	PMELIAIMWWUZBL-CPNJWEJPSA-N	372.424	4.742	50	20	FJGD	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccccc2s1	788329476	WSJNNTJTEGBHMG-QGOAFFKASA-N	374.465	4.528	50	20	FJGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(OC2CCC2)cc1	791723202	RXWPUSIKRZBDHZ-UHFFFAOYSA-N	351.233	4.682	50	20	FJGD	
Cc1ccc2c(C(=O)NNc3cccc(C(F)(F)F)c3)csc2c1	794922853	ILCLKORWGBLGMD-UHFFFAOYSA-N	350.365	4.985	50	20	FJGD	
O=C(NN=C1CCCC[C@H]1C1=CCCCC1)c1nnc(-c2ccccc2)o1	814815633	FKNOWHWNWWRUBJ-KRWDZBQOSA-N	364.449	4.513	50	20	FJGD	
Cc1cc(C)c(C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	817016630	FFDHMVUXQIYOEV-UHFFFAOYSA-N	366.261	4.691	50	20	FJGD	
Cc1cccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1F	834405902	ZUGFMJHQTDVDHS-LCYFTJDESA-N	365.433	4.787	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NC1CCC2(CCOCC2)CC1	1252705858	BKRPIUGSFJPZDI-INIZCTEOSA-N	357.585	4.556	50	20	FJGD	
COc1sc(/C=C(/C#N)C(=O)c2ccccc2C)cc1Br	1253374341	MASPZCASWFPVSU-XFFZJAGNSA-N	362.248	4.618	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1F	1320164653	JZUCWSZEGIDUPA-XFFZJAGNSA-N	365.191	4.687	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)c1ccc(F)cc1	25198880	NZIQBMQONKSOJI-QGOAFFKASA-N	358.372	4.590	50	20	FJGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	44025622	LCBWUAHKVVQYND-UVTDQMKNSA-N	360.335	4.650	50	20	FJGD	
Cc1nc(CSc2ccc(C(=O)NNc3ccc(F)cc3)cc2)cs1	55289316	RQNKUYGIOSWNMZ-UHFFFAOYSA-N	373.478	4.640	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(C2SCCCS2)cc1	126841034	LCNBVUCOGLQDOL-UHFFFAOYSA-N	364.923	4.966	50	20	FJGD	
O=C(NNc1cccc(Br)c1)c1ccc(Cl)cc1Cl	127189941	YNEIJJIFEKHNMH-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1Cl	172691934	FESFKSPMBXZLTK-RIYZIHGNSA-N	353.834	4.931	50	20	FJGD	
O=C(NNc1ccncc1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1	180455252	QFDXKGHWXWEONY-UHFFFAOYSA-N	373.334	4.650	50	20	FJGD	
Cc1ccc(C)c(-n2nc(C)c(/C=C(/C#N)C(=O)c3ccco3)c2Cl)c1	212655580	YZGAOOWZIQVZJS-GDNBJRDFSA-N	365.820	4.834	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	726120598	WDQWDYMCNDNKCQ-IZZDOVSWSA-N	358.182	4.573	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)cc1Cl	741853500	ZKRLLNYHFLRYSH-XYOKQWHBSA-N	370.767	4.780	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2c(s1)-c1ccccc1OC2	746697118	LIZGVNOEVYYEAG-UHFFFAOYSA-N	374.824	4.857	50	20	FJGD	
CC(C)C[C@@H](O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762973158	CWWHSSREIFZFGE-LLVKDONJSA-N	362.364	4.873	50	20	FJGD	
CCn1nc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21	769730243	XOVXNYUOLXFRKG-KAMYIIQDSA-N	364.836	4.564	50	20	FJGD	
C[C@H](CBr)CN(Cc1cccc(-c2cccnc2)c1)C1CC1	770666411	KNSUQKJVSWLOCZ-OAHLLOKOSA-N	359.311	4.744	50	20	FJGD	
N#C/C(=C\c1ccc(SCc2ccccc2)cc1)C(=O)NCc1ccco1	771842429	SDPIOECGEAJWJU-CPNJWEJPSA-N	374.465	4.795	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(Oc2ccccc2)c1	786623216	XSPBFOSBCZGDHN-LGMDPLHJSA-N	356.381	4.730	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cnc(C2CCC2)s1)c1ccccc1	787141770	PTEMULDUADVMCL-MUMAZLPKSA-N	351.475	4.585	50	20	FJGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccccc1NC1CCCCC1	795104969	MVSULKXFMOBUCN-UHFFFAOYSA-N	363.383	4.605	50	20	FJGD	
COc1ccccc1C(=O)NN=C(C)CC(C)(C)c1c[nH]c2ccccc12	799479775	GAASHWZIYCZHGM-UHFFFAOYSA-N	363.461	4.650	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1oc2ccccc2c1CSC	799758921	DPZNQTSCMZEVGP-UHFFFAOYSA-N	354.475	4.924	50	20	FJGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)c1cc(C(F)(F)F)ccn1	812248369	LATGDOSVQSOLOE-LFYBBSHMSA-N	350.727	4.753	50	20	FJGD	
COC(=O)[C@H](C)c1cccc(NCc2ccc(OCCCCl)cc2)c1	840958357	QSSMNWKVAHXPIZ-OAHLLOKOSA-N	361.869	4.583	50	20	FJGD	
CC(C)c1ccc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)cn1	846378203	DCOVAKWIOSPWDK-UHFFFAOYSA-N	357.763	4.634	50	20	FJGD	
C[C@H]1CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1CO	856856999	PPQUAROPQAGEGS-WDEREUQCSA-N	374.375	4.826	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCO[C@@H](C(C)C)C1	901850407	LXSKAPHJTQEBAW-SJLPKXTDSA-N	360.523	4.774	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)c(Cl)c2)cc1	918622534	XZRSIPIFPCHUGF-PTNGSMBKSA-N	370.836	4.683	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1OC(F)F	918713249	GVVYLOLSRUCWMY-YBEGLDIGSA-N	357.356	4.703	50	20	FJGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc(Cl)c1O	918713339	IMZPVMNTBZEYGL-PXNMLYILSA-N	355.821	4.851	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2cc(C)oc2C)c1C	1318053731	ATJVLTULURFAFF-SKCQWOFPSA-N	353.466	4.509	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1cccc2cnccc12	1338900086	QMEDCSQPQOVTBD-UHFFFAOYSA-N	372.428	4.770	50	20	FJGD	
O=C(O)c1ccc2scc(C=NNC(=O)c3ccc4ccccc4c3)c2c1	1776036135	GMSYIJKLKZQXCI-UHFFFAOYSA-N	374.421	4.517	50	20	FJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(F)ccc2sc(C(=O)O)cc12	1777477110	GIFRRGQUIBUMGT-POHAHGRESA-N	371.414	4.898	50	20	FJGD	
N#C/C(=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)c1ccsc1	174184036	MTJYDQKVEXYAQX-BXUGYJKXSA-N	373.861	4.749	50	20	FJGD	
CN(CC(F)(F)F)C(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186153101	ILQWQFIKWJCDFN-UHFFFAOYSA-N	372.281	4.777	50	20	FJGD	
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)NCc3ccco3)ccc21	208679506	HGGJZPAXTZQUAA-ATVHPVEESA-N	369.424	4.631	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(F)cc2)c1Cl	726428064	DSMCZEJHDZQUOT-ZENNRRHLSA-N	359.832	4.555	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cnn(CCCl)c3)n2)cc1	728698853	AZWRSEXUWJNDBO-LZYBPNLTSA-N	354.866	4.618	50	20	FJGD	
Cc1cccc(C(=O)NNc2ccc(Br)cc2C(F)(F)F)c1	731479183	WRXICECDCIXUFU-UHFFFAOYSA-N	373.172	4.533	50	20	FJGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1OC	747034234	QEMLPWOUGMWNFG-MHWRWJLKSA-N	351.377	4.579	50	20	FJGD	
Cc1cc(NNC(=O)/C=C\c2ccc(Cl)s2)ccc1Br	748606960	NMAPGRQDELVRSI-DAXSKMNVSA-N	371.687	4.629	50	20	FJGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1ccccc1C(F)(F)F	751584509	VIBQETDSWLIHDN-UHFFFAOYSA-N	367.758	4.905	50	20	FJGD	
Cc1nc(/C(C#N)=C\c2cc(Br)cc3c2OCC3)sc1C	764917435	RUAKHNLBNJZQGH-ACAGNQJTSA-N	361.264	4.522	50	20	FJGD	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN=C3CC(C(F)F)C3)cc2C1	766015461	MCUDFVAIBODOGR-KIYNQFGBSA-N	354.466	4.660	50	20	FJGD	
Cc1ccc2cccc(C(=O)NNc3c(Cl)cc(F)cc3Cl)c2n1	767407602	VCNRVJOZUXNCCI-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
COc1cc(NNC(=O)Nc2ccc3oc(C(C)C)nc3c2)ccc1Cl	788609593	GQHXQYCYQHVQTP-UHFFFAOYSA-N	374.828	4.762	50	20	FJGD	
COC1(CC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCC1	792525448	NTUVHPPJKKOEFA-CYBMUJFWSA-N	367.820	4.804	50	20	FJGD	
N#C/C(=C\c1ccccc1)C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1	793074060	VDVUFTCMTWEEOB-BTZCDPCDSA-N	367.404	4.761	50	20	FJGD	
CSSCCNC(=O)Nc1ccccc1COCc1ccccc1	794057967	DFFPBNBCFUNOFD-UHFFFAOYSA-N	362.520	4.536	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	794875910	XZNUNEJEZVDSPW-GDNBJRDFSA-N	370.387	4.591	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCC(F)(F)C1	799854504	OBUKACXIQRPJIM-SSDOTTSWSA-N	357.615	4.915	50	20	FJGD	
Cc1nc2ccccc2n1CCCNCc1ccc(OCCCCl)cc1	811472297	DUIBSBRSRQCINZ-UHFFFAOYSA-N	371.912	4.532	50	20	FJGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(Cl)c(F)cc1Cl	815853543	PPDYAAJBAYYZPE-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
COc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1OC(C)C	854579782	TZPIEPPHTMQMHU-UHFFFAOYSA-N	356.466	4.671	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nc(C3CC3)cs2)c(C)n1CC(C)C	914527395	KUYQDNUYYUFSES-IUXPMGMMSA-N	368.506	4.641	50	20	FJGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1	1336992465	CLRYCVUGNDMJEF-MRXNPFEDSA-N	354.837	4.586	50	20	FJGD	
N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	211588462	RQPVDAMNOGUBNB-LGMDPLHJSA-N	356.381	4.730	50	20	FJGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1ccc(Br)s1	727257349	ZRPNPZVUHRWVCW-NSHDSACASA-N	357.317	4.833	50	20	FJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(Br)s1	730435932	HHSOIUPYFAZPEV-XFXZXTDPSA-N	362.248	4.699	50	20	FJGD	
CCc1ccc(C=NNC(=O)c2sc(-c3ccccc3)nc2C)s1	731151533	QAMRFDNNHIIZEG-UHFFFAOYSA-N	355.488	4.506	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccsc3s2)c1C	735460678	FCELASJKMFJIBA-ZROIWOOFSA-N	370.503	4.732	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncc(C(C)C)s2)c1C	741996522	HZFLWQYPDHNXQL-CXUHLZMHSA-N	356.495	4.641	50	20	FJGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1c[nH]cc1-c1ccccc1	754152456	JLFCJPWGWYOEMB-UHFFFAOYSA-N	363.314	4.597	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)c(F)c2)s1	757918782	FHAPUELSPHCZRO-SDQBBNPISA-N	369.339	4.927	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CSC)c1C	759357190	KJYQNTBTVMVUFM-XDHOZWIPSA-N	367.518	4.924	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cc(C(F)(F)F)ccn1	765341281	FZIPEJGLMUOMRR-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
Cn1c2ccccc2c2cc(C(=O)NNc3c(F)cccc3Cl)sc21	770198520	VPMBFSQMNNLJCM-UHFFFAOYSA-N	373.840	4.942	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3cccc(F)c3)cs2)cc1	772172498	RDMQSURLFPHEIQ-XNTDXEJSSA-N	364.401	4.748	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(-c2ccccc2)ns1	775645382	DHPURKFMKPQOFX-UHFFFAOYSA-N	361.430	4.507	50	20	FJGD	
COC(C)(C)CC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	782178759	DOYUJKNRAYNCSL-GFCCVEGCSA-N	355.809	4.660	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@](C)(C#N)C(C)C)c(C)n1C1CCCCC1	787835726	VZRFBGOGTSENPB-LPRAYXGFSA-N	366.509	4.572	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Cl)c2ncccc12	801176649	NUIVXCPTXZXGKB-UHFFFAOYSA-N	365.742	4.664	50	20	FJGD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NNc1c(F)cccc1F	801899528	YPEZJJFVKJKJST-UHFFFAOYSA-N	372.350	4.623	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncsc2C(C)C)c1C	809393821	GYMDYERWTFXYAT-CXUHLZMHSA-N	356.495	4.641	50	20	FJGD	
ClCCCOc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1	811462584	ZYQXHYAYRBAUBY-OAQYLSRUSA-N	359.897	4.658	50	20	FJGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)c1ccc([N+](=O)[O-])cn1	812244062	DEEXNIKSODXVNL-RIYZIHGNSA-N	351.362	4.922	50	20	FJGD	
CSCC(C)(C)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015894	WAUDLYAKVCSPBO-UHFFFAOYSA-N	374.350	4.557	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1C	824107330	GJAFPOYNKHOQLJ-VYZAVGSRSA-N	374.488	4.513	50	20	FJGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC(=C4CCC4)CC3)sc2n1	853283525	TWMACNSHGLFWSR-UHFFFAOYSA-N	368.506	4.636	50	20	FJGD	
COc1cc(F)cc(NNC(=O)CC2CCC(c3ccccc3)CC2)c1	857473790	DINMUGOZLLRWHK-UHFFFAOYSA-N	356.441	4.642	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)c([N+](=O)[O-])c2)c1C	915860316	RILBUIWZORTUOA-YVLHZVERSA-N	351.406	4.521	50	20	FJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(Br)cc2F)c1	918714400	URUJZIYEPANISW-NVNXTCNLSA-N	358.210	4.995	50	20	FJGD	
COc1ccc(C(=O)O)cc1/C=C(/C#N)c1nc2cc(Cl)ccc2s1	1777354445	WRPNBDLSJOWLTH-GHXNOFRVSA-N	370.817	4.721	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)cc2)c(C)c1	7160217	XAQIUGAMTWKZAC-HMMYKYKNSA-N	359.473	4.839	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1Cl	59269697	VTNHURDTSQIFPN-XNTDXEJSSA-N	370.836	4.681	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(O[C@@H](C)C#N)cc3)c[nH]c2c1	103250648	GFSYOJKJVXJOOB-HAKPAVFJSA-N	355.397	4.557	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc(C(F)(F)F)c1	105284872	RJVWXJHZOVOYSW-SNVBAGLBSA-N	374.815	4.983	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)c(C)c1	107731237	MNFMBZUKJHADGF-YBEGLDIGSA-N	356.372	4.759	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1Oc1cccnc1	112224186	CNCDHJLDLOBHRA-ATVHPVEESA-N	373.387	4.867	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2sccc2-c2ccc(C)cc2)c1	156136955	WRRAPEAMVIWNTB-UHFFFAOYSA-N	356.422	4.628	50	20	FJGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)C(=O)c1cccc(F)c1	588597186	APGQBFRMLGLGDB-PDGQHHTCSA-N	358.372	4.590	50	20	FJGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12	727973970	DYKYQUUYPVRFBF-SDQBBNPISA-N	374.293	4.995	50	20	FJGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1cc2c(s1)CCC2	744738925	UXEDLEGFGXBESR-UHFFFAOYSA-N	360.891	4.869	50	20	FJGD	
CCCCCOc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1OC	747034837	YGIXJPSMLCPILT-SFQUDFHCSA-N	353.418	4.956	50	20	FJGD	
COc1cc(F)cc(NNC(=O)c2cccc(-c3c(F)cccc3F)c2)c1	757141129	ISXALDZTMVIUNZ-UHFFFAOYSA-N	372.346	4.536	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)ccc1C#N	766288881	GGMBTMDIFTVHJQ-IUXPMGMMSA-N	371.362	4.637	50	20	FJGD	
C=C(C)CN(CC)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782974365	RXIYIGCLSINDIR-UHFFFAOYSA-N	365.389	4.931	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H]2CCCCC2=O)c(C)n1C1CCCCC1	786432758	YJAGGLKMKDUZNG-UHWDDTASSA-N	368.477	4.572	50	20	FJGD	
CCc1c(C(=O)NNc2cccc(C(F)(F)F)c2)cnn1C(CC)CC	790807135	RDLIBAPSSQRXLX-UHFFFAOYSA-N	368.403	4.582	50	20	FJGD	
CCCCCNC(=O)/C(C#N)=C\c1c(OC(F)F)ccc2ccccc12	797343038	OTDDEEYSKGZGOF-QINSGFPZSA-N	358.388	4.655	50	20	FJGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccc(Cl)cc3F)s2)cn1	800791807	VZMGIGXJQQELTI-IZZDOVSWSA-N	371.824	4.731	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1	814268733	HBMOFGCPCGKCOC-UHFFFAOYSA-N	364.298	4.861	50	20	FJGD	
Cc1csc(C(=O)NNc2ccc(C(C)C)cc2)c1Br	837056472	ABVSCQLSNXHPRX-UHFFFAOYSA-N	353.285	4.699	50	20	FJGD	
CC(C)[C@H](CNC(=O)CCCC[C@@H]1CCSS1)Nc1ccccc1	899868249	NFBVQXNUBCDSLL-MSOLQXFVSA-N	366.596	4.953	50	20	FJGD	
COCc1nocc1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	1117672038	KTUCANPJWUGZPO-UHFFFAOYSA-N	358.288	4.731	50	20	FJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(F)c1	1254746279	PVZQZHAXEAJQKQ-RIYZIHGNSA-N	363.310	4.865	50	20	FJGD	
COC(=O)c1cccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c1	1340356407	GFKPFIDIOVMKET-WQRHYEAKSA-N	360.438	4.969	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	1776129934	AZOIVMVRXOXJTR-ATVHPVEESA-N	374.421	4.659	50	20	FJGD	
COc1ccc(S(F)(F)(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1	2088642725	XZIKFPQQYBDODL-UHFFFAOYSA-N	360.153	4.652	50	20	FJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	59269456	HVMHDBFZBCAFEX-IZZDOVSWSA-N	352.262	4.529	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(Br)cs1	132953757	JFJYMNAERHMONI-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(Cl)c(F)c1	175437260	XIWBZPOUFFPGCN-UHFFFAOYSA-N	355.800	4.606	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C)ccc1[N+](=O)[O-]	175632500	OCXLMXZDPFDGPZ-UHFFFAOYSA-N	369.446	4.854	50	20	FJGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1ccc(Cl)cc1Cl	178873858	WTYLFPVJIGGCJV-UHFFFAOYSA-N	364.207	4.746	50	20	FJGD	
O=C(NCCCn1ccnc1)Nc1cccc(S(F)(F)(F)(F)F)c1	184407399	ZAZPMOOUHHOZKX-UHFFFAOYSA-N	370.347	4.752	50	20	FJGD	
C[C@@H](NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CCOC1	277505582	VTIFHPSTCBAHGS-ZJUUUORDSA-N	360.348	4.891	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1	588431225	YNKUEUXIBLFINE-ZFMLPXDISA-N	371.415	4.672	50	20	FJGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1	727976607	WFKQTZBTGWWLRV-XYOKQWHBSA-N	366.726	4.784	50	20	FJGD	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F	731489697	JQZZGVBFMQCMCM-AWNIVKPZSA-N	370.232	4.779	50	20	FJGD	
O=C(CC(c1ccccc1)c1ccccc1)NNc1nccc2sccc12	734248192	NIJNRWNFMOZRIU-UHFFFAOYSA-N	373.481	4.962	50	20	FJGD	
Cc1cc(C)c(NNC(=O)C2c3ccccc3Oc3ccccc32)c(C)c1	743764362	ODEJKXXXYPUJTC-UHFFFAOYSA-N	358.441	4.993	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cc3c(cc2OC(F)F)OCO3)n1	747440901	WOCSHPHIGBEHDL-QDEBKDIKSA-N	364.373	4.661	50	20	FJGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NNc2cccc3cnccc23)c1	748763057	OZVRAEGXXPISLA-INIZCTEOSA-N	363.461	4.577	50	20	FJGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC(c2cc3ccccc3[nH]2)CC1	750040869	KFVRTRIBZPLMIM-UYOCIXKTSA-N	372.428	4.820	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)Nc1cccc(Cl)c1Cl	756257062	CGALQQUXWIRWNS-KPKJPENVSA-N	360.175	4.550	50	20	FJGD	
CC(C)Cn1ncc(C(=O)NNc2cccc(Cl)c2)c1-c1ccccc1	760102760	BULAQQWSAYRGOO-UHFFFAOYSA-N	368.868	4.616	50	20	FJGD	
O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1cc(Cl)ccn1	778446542	PFYQMSSADKJYMZ-UHFFFAOYSA-N	358.656	4.508	50	20	FJGD	
C[C@@H](CCC(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779204054	OFULDVGLXVRRIV-ZDUSSCGKSA-N	352.356	4.612	50	20	FJGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c(C(C)(C)C)n1	780526937	KMAYEKDCTOMSFY-JYRVWZFOSA-N	361.367	4.526	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1ccccc1)c1ccccc1	787127529	DZIPIKYCVLQXJG-HKWRFOASSA-N	354.409	4.533	50	20	FJGD	
COc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(OCC2CC2)c1	788526174	IKMJRLBRBYZTBI-UHFFFAOYSA-N	368.477	4.538	50	20	FJGD	
O=C(NNc1c(F)cccc1Cl)[C@@H](F)c1ccc(C(F)(F)F)cc1	801691220	JZBZBLKMJZLFQH-LBPRGKRZSA-N	364.701	4.652	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ncsc2C(C)C)c(C)n1CC(C)C	809392803	HEDCRWZFCHEEQF-CAOOACKPSA-N	370.522	4.887	50	20	FJGD	
N#C/C(=C\c1ccc2oncc2c1)C(=O)Nc1ccc(SC(F)F)cc1	821027917	NAQPVVWUCDDRAV-KPKJPENVSA-N	371.368	4.688	50	20	FJGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(Br)cc1Cl	825731392	GEXVKUFMRNQAQC-SSDOTTSWSA-N	373.600	4.524	50	20	FJGD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C2	839322469	SSKLGLRWZVDQOS-XXILOJSOSA-N	355.328	4.898	50	20	FJGD	
C[C@@H]1CN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC[C@H]1N	841178685	GMLJGFRLGJPDLT-BXKDBHETSA-N	359.364	4.545	50	20	FJGD	
OC1(C(F)F)CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC1	893717306	TWDKUTDBBWLMST-UHFFFAOYSA-N	367.330	4.936	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1csc(-c2ccccc2)n1	899893756	XSSYTIBPGFATPU-UHFFFAOYSA-N	354.387	4.554	50	20	FJGD	
CC(C)(C)c1ncc(C=NNC(=O)c2ccc(Cl)cc2Cl)s1	920370713	LRXKUBJZFMRNRC-UHFFFAOYSA-N	356.278	4.511	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3nc(C)oc3c2)c1C	933546334	QCUKMTXERDNCJY-LICLKQGHSA-N	362.433	4.510	50	20	FJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2ccccn2)cc1[N+](=O)[O-]	33392653	UTUJXGDXABGTNE-LGMDPLHJSA-N	356.385	4.822	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1OC(F)F	33642713	VNGQSNRAPXDVLV-UVTDQMKNSA-N	352.340	4.868	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccsc1	44027944	IJWUPNCQLOGVCK-UKTHLTGXSA-N	350.355	4.706	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(Br)c(Cl)c1	127290452	UHYXVGRRUUBENI-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
O=C(NNc1ccccc1F)c1cn(Cc2ccccc2)c2ccccc12	152805977	BEQDESXQPHBXRD-UHFFFAOYSA-N	359.404	4.586	50	20	FJGD	
CCSCc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	190173470	RJJJDTNEQXGOJZ-UHFFFAOYSA-N	370.396	4.595	50	20	FJGD	
CCCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC	211455839	URETZYRJBPPQAT-AQTBWJFISA-N	364.445	4.728	50	20	FJGD	
Cc1ccccc1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	254482196	FEBNMXLXLRDCQW-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c2c(c1)C[C@H](C)O2	303156821	GHOHHNAIZQISJB-RHUPODBASA-N	372.424	4.598	50	20	FJGD	
CCCOc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1OCC	741473881	UGMSWFOEKPVWTP-LFIBNONCSA-N	362.433	4.518	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3cc4cc(F)ccc4o3)nc(O)c2c1C	741851557	CRPDKHONRZZAOO-KPKJPENVSA-N	365.389	4.963	50	20	FJGD	
CCC(CC)C(=O)NNc1c(Cl)cc(Br)cc1Cl	742005311	SYFFPGCQRJTZPQ-UHFFFAOYSA-N	354.075	4.635	50	20	FJGD	
C[C@@H](CNC(=O)CCCC[C@H]1CCSS1)Oc1ccc(Cl)cc1	742875529	JNKBOBCKLOTPCL-BBRMVZONSA-N	373.971	4.938	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c(C)c1	743764223	FKEMRIBWAJOGRF-UHFFFAOYSA-N	368.868	4.516	50	20	FJGD	
O=C(NNc1cccc(Cl)c1)c1cc(Cl)cc(Br)c1	747380748	TULPOZWFKGGCMH-UHFFFAOYSA-N	360.038	4.513	50	20	FJGD	
C[C@H]1CC(=NNC(=O)c2ccc(O)c(Cl)c2)C[C@@H](c2ccccc2)C1	749857562	BPWQJOSJVDILCZ-CJNGLKHVSA-N	356.853	4.735	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(Br)c1	753683095	MGCAOROVNSSIMN-YBEGLDIGSA-N	369.262	4.920	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)c1c[nH]c2cc(F)ccc12	761385431	MVKYIMUPIVYNBC-WZUFQYTHSA-N	367.742	4.761	50	20	FJGD	
Cc1ccc(-c2nc(COC(=O)[C@H](Br)C(C)(C)C)cs2)o1	766751032	ULOJLJJHYLZHKB-LBPRGKRZSA-N	372.284	4.564	50	20	FJGD	
COc1c(Br)cccc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	773916267	XCGDOXJOGDWACR-UKTHLTGXSA-N	368.234	4.707	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1)c1ccccc1	787142357	UTGTYKUCXPKIRT-XYSGSMRZSA-N	365.502	4.975	50	20	FJGD	
Cc1noc([C@@H](C)NCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)n1	792877744	OQLKGDNXLZFCOV-CQSZACIVSA-N	361.562	4.751	50	20	FJGD	
Cc1ccc(Nc2ccccc2C(=O)NNc2nccnc2C2CCC2)cc1	805472390	IGAMROKOUVGBLP-UHFFFAOYSA-N	373.460	4.553	50	20	FJGD	
COC(=O)[C@@H](C)c1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	839821378	RTLRQJVKVNGYMU-BBRMVZONSA-N	367.536	4.616	50	20	FJGD	
COCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1	917142779	PMKLPZVCLKVNAJ-RGEXLXHISA-N	363.457	4.799	50	20	FJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1OC	920068221	LXNWNSLRNIZIOF-GZTJUZNOSA-N	372.424	4.840	50	20	FJGD	
CCOCc1nnc(/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)o1	1322611405	PBLUDUKPINOUPD-GZTJUZNOSA-N	354.454	4.594	50	20	FJGD	
O=C(NN=Cc1cc(Cl)ccc1Br)c1ccccc1Cl	1339604646	LEIKKMLVVCAPHL-UHFFFAOYSA-N	372.049	4.520	50	20	FJGD	
COc1ccccc1OCc1nnc(CCCC[C@H]2CCSS2)o1	1348873913	GHCSECUGPKGJAZ-ZDUSSCGKSA-N	366.508	4.524	50	20	FJGD	
C[C@@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1ccc2ccccc2c1	84632436	VUGXKHVPUVUAOS-GFCCVEGCSA-N	359.351	4.500	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)ccc1F	132917159	BHELTJLTLKYOEC-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1	171115163	IFTARVIKIVCLBH-NGWPFTMJSA-N	358.426	4.560	50	20	FJGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)c1cccs1	172721754	WCJIBUGTQOZQNK-UHFFFAOYSA-N	366.067	4.574	50	20	FJGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(Br)ccc1OC(F)F	726120599	WDQWDYMCNDNKCQ-WDZFZDKYSA-N	358.182	4.573	50	20	FJGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1cccc(C(F)(F)F)c1	727759365	ZLVXBAIDEHIBTD-SNVBAGLBSA-N	374.815	4.983	50	20	FJGD	
Cc1ccc(-c2nc(C=NNC(=O)C(C)(C)c3ccccc3)cs2)cc1	731150158	BBNJESFQLHYFTH-UHFFFAOYSA-N	363.486	4.546	50	20	FJGD	
CCCCOc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1OC	732715948	DQZTWHLCPUYSRU-NBVRZTHBSA-N	370.493	4.572	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](Cc2ccc(F)cc2)C1	736586842	IOAONIQNFMJIIY-FUHWJXTLSA-N	367.555	4.931	50	20	FJGD	
O=C(CSc1ccc2ccccc2c1)NNc1ccc(OC(F)F)cc1	748661306	RFBMUPNJVQVHRL-UHFFFAOYSA-N	374.412	4.677	50	20	FJGD	
N#Cc1ccc(NNC(=O)c2ccccc2Oc2ccccc2)cc1Cl	753306482	NWUZLYGRLKISRQ-UHFFFAOYSA-N	363.804	4.761	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2F)c(C)c1	758017434	MULFPISBMJCZQF-JCFRVBNTSA-N	352.384	4.992	50	20	FJGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)cc2cccnc12)c1ccccc1	763174765	CFKAOIFVIUUEBV-SFHVURJKSA-N	351.837	4.532	50	20	FJGD	
CC(C)c1cc(C(=O)NNc2c(F)cccc2Cl)c2ccccc2n1	770203497	NERFVGRCXHMZNW-UHFFFAOYSA-N	357.816	4.908	50	20	FJGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)c1ccccc1OC(F)F	775639744	SQOCWRPICVFUCL-DHZHZOJOSA-N	351.711	4.870	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](COc2ccccc2)C1	780023252	LRLJBBSILKDPIW-SJLPKXTDSA-N	365.564	4.628	50	20	FJGD	
COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC[C@@H](C)[C@@H]3C)s2)cc1	781124069	UNDJFGGINJSZPR-OLZOCXBDSA-N	371.506	4.548	50	20	FJGD	
CCCCCCOc1ccc(C(=O)NN=Cc2scnc2C2CC2)cc1	782150343	QTUZQWZRLXYQAL-UHFFFAOYSA-N	371.506	4.744	50	20	FJGD	
CCCN(N=C(C[C@H]1CCOC1)c1ccc(F)cc1)C(=O)OC(C)(C)C	793052826	DJKTXGVXNLIEHZ-OAHLLOKOSA-N	364.461	4.604	50	20	FJGD	
CCc1ccc2occ(C(=O)NNc3ccccc3OC(F)(F)F)c2c1	803126822	JSPSBRUXFRTYBX-UHFFFAOYSA-N	364.323	4.651	50	20	FJGD	
O=C(O)CCCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841839772	SERXYKZJLWIDFM-UHFFFAOYSA-N	362.320	4.720	50	20	FJGD	
CCC[C@H](C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1	846378306	GBPIBZSVEQFYAK-LBPRGKRZSA-N	371.790	4.781	50	20	FJGD	
Cc1ccc(Cn2nc(C)c(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1	915840949	DJMMTUOZFQLRRX-NDENLUEZSA-N	372.428	4.829	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2Cl)cc1	1776127049	GKRLORAPSPFBTI-LICLKQGHSA-N	353.805	4.781	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	6209439	HVZBIEYEDQKEMU-JLHYYAGUSA-N	360.385	4.556	50	20	FJGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1)c1ccccc1	8055386	ADDAACDLCQGCKQ-OVGFGYAMSA-N	360.388	4.870	50	20	FJGD	
CC(C)c1c(C(=O)NNc2ccccc2F)cnn1-c1cccc(Cl)c1	152810522	IORXKGGFLJVUNF-UHFFFAOYSA-N	372.831	4.545	50	20	FJGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)c1c[nH]c2ccccc12	174169900	WBBJJDNBRQXFBD-LFIBNONCSA-N	366.380	4.540	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(COC)cc1	175624371	DAIPSLOQAVCKMU-UHFFFAOYSA-N	354.475	4.783	50	20	FJGD	
CCCN(CCC)C(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	183465676	JDEYCAHPXIUPAP-UHFFFAOYSA-N	374.375	4.931	50	20	FJGD	
C[C@H]1CN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCO1	184407011	KXCMIGMUZDZUHX-JTQLQIEISA-N	360.348	4.987	50	20	FJGD	
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	193093265	DZINFDQEBXMYDB-VHSXEESVSA-N	374.375	4.833	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	733362085	MXJVIBYARLPFDW-QWRGUYRKSA-N	357.187	4.518	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)o1	751514563	ZLUYCYCICZQHAD-NTCAYCPXSA-N	351.402	4.544	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1nccn2ccnc12	762722061	GMPIBAWXURHTIX-UHFFFAOYSA-N	364.299	4.639	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	771342630	CSYSPKQBBFFPQL-AWEZNQCLSA-N	373.325	4.593	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(-c3csnn3)cc2)cc1	780524207	ZWIIOVIGFNHTIW-UHFFFAOYSA-N	367.478	4.651	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cscc2Br)c(C)c1	794688326	LUVPFCCWDCIOJJ-SDQBBNPISA-N	361.264	4.673	50	20	FJGD	
CCCN1C(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C(=O)[C@H]1C	804201647	SLOMSLQSUKUPED-SECBINFHSA-N	358.332	4.911	50	20	FJGD	
ClCCCOc1ccc(CN[C@H]2COc3ccc(Cl)cc32)cc1	811483635	JFXVZRJOGPXUCZ-KRWDZBQOSA-N	352.261	4.571	50	20	FJGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(F)cccc1Cl	916336924	SWVNDNUGCDRBDX-CYBMUJFWSA-N	370.811	4.550	50	20	FJGD	
Cc1cc(C(=O)NN=Cc2ccc(-c3ccccc3)o2)c2ccccc2n1	917533329	GODYSRXZMTYBOR-UHFFFAOYSA-N	355.397	4.567	50	20	FJGD	
CC(C)[C@@H](C#N)C=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	1116352136	QQWNUAGFUYWICY-INIZCTEOSA-N	374.419	4.552	50	20	FJGD	
O=C(NN=Cc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1Cl	1320623112	SLTOZTHXNPQOMV-UHFFFAOYSA-N	361.150	4.776	50	20	FJGD	
COc1ccc2cc(C(=O)NNc3ccccc3C(F)(F)F)ccc2c1	1322463653	XJZBKEAYMBPODJ-UHFFFAOYSA-N	360.335	4.624	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(C2SCCS2)cc1	120368043	JPLADUCQPGKMOY-UHFFFAOYSA-N	350.896	4.576	50	20	FJGD	
Cc1ccc(C(=O)NNc2ccncc2Cl)c(Sc2ccccc2)c1	135883201	AAIOZTPVMSIFRC-UHFFFAOYSA-N	369.877	4.952	50	20	FJGD	
CCN(CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	184433272	LTLNELDQZNMHDK-UHFFFAOYSA-N	373.391	4.950	50	20	FJGD	
CC(C)(C)c1cnc(CCC(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)o1	193762789	UQPZWDVCVAHPJL-UHFFFAOYSA-N	368.389	4.572	50	20	FJGD	
O=C(NN=Cc1ccccc1N1CCCCC1)c1cccc2ccccc12	741462945	SPONMAVQCNBRCU-UHFFFAOYSA-N	357.457	4.594	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(OC(F)F)cc1C	742347284	YAXXKFCAVLULKB-JQFNYASXSA-N	370.399	4.689	50	20	FJGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1c[nH]cc1-c1ccc(Cl)s1	746704823	KSVHKWWMJWVPOR-UHFFFAOYSA-N	371.771	4.571	50	20	FJGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)c1ccc(Cl)c(Cl)c1	748767137	JQUDSVFRSZGDNQ-LLVKDONJSA-N	360.244	4.788	50	20	FJGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CSc2ccccc2)C1	750052558	CDZHMPMQLCVPAV-UWSDUSPXSA-N	365.458	4.573	50	20	FJGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CSc2ccccc2)C1	750055753	PNGWTMABHQKGGH-UGNSCYDZSA-N	365.458	4.573	50	20	FJGD	
COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cc(C)ccn3)oc2c1	755853962	KSIKXEBQQSLKTP-UHFFFAOYSA-N	373.412	4.569	50	20	FJGD	
C=CC[C@@H](CO)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762975250	MQYIZESQGHVNSB-SNVBAGLBSA-N	360.348	4.650	50	20	FJGD	
CC(C)c1nccnc1NNC(=O)c1ccc(-c2ccc(Cl)cc2)s1	772893509	PNHZPBSXTNWJOE-UHFFFAOYSA-N	372.881	4.739	50	20	FJGD	
CC(C)[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	772942990	FFIVDBXLYBJTEL-JTQLQIEISA-N	374.375	4.785	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1Cl	773154027	JTMJERGQYHQEGB-WUXMJOGZSA-N	350.176	4.931	50	20	FJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c1	776266577	RVEDKPXYPMOTDX-WJDWOHSUSA-N	355.340	4.643	50	20	FJGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(C)c(OCc2cccc(Cl)c2)c1	779280436	DGNTZBMXPBFPOQ-SSZFMOIBSA-N	370.836	4.610	50	20	FJGD	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	782973948	LJRZEUSPTPTQGT-SNVBAGLBSA-N	365.389	4.907	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnc(C2CCC2)s1)c1ccccc1	787141768	PTEMULDUADVMCL-FYXHJSOBSA-N	351.475	4.585	50	20	FJGD	
COc1cc(NNC(=O)c2cc(Cl)ccc2OC(C)C)ccc1Cl	790171532	USNHAPKNPMFKDZ-UHFFFAOYSA-N	369.248	4.546	50	20	FJGD	
Cc1cccnc1NNC(=O)c1cc(Cl)ccc1SC1CCCC1	791220436	HDTAEJVKQMWPOP-UHFFFAOYSA-N	361.898	4.835	50	20	FJGD	
COc1cccnc1CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	807250842	NOGRXDIQPJBXNW-UHFFFAOYSA-N	368.327	4.929	50	20	FJGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)c1cccc(Br)c1	814857473	LYMSLKBLYUAJKL-AWEZNQCLSA-N	357.251	4.503	50	20	FJGD	
CC(C)c1ccc(NNC(=O)c2cccnc2SC(F)(F)F)cc1	837057365	XVZLASPFCUXYDF-UHFFFAOYSA-N	355.385	4.574	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@H](F)C1	846703186	JODNITAYFAMNOM-JOYOIKCWSA-N	370.799	4.872	50	20	FJGD	
C[C@@H](C[S@](C)=O)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	893554735	AGMNOQUSYIXFQT-FVINQWEUSA-N	351.406	4.543	50	20	FJGD	
O=C(NN=Cc1ccsc1)c1ccc(COc2ccc(Cl)cc2)cc1	916307116	RNDKSDBSAHJECY-UHFFFAOYSA-N	370.861	4.744	50	20	FJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC(F)F	726429219	GJVFLPXQOABAQD-CAXXOGMASA-N	358.182	4.573	50	20	FJGD	
CC[C@@H](C(=O)NN=Cc1cc2cccc(C)c2nc1Cl)c1ccccc1	731932341	HUJCOXDUVHAMBW-GOSISDBHSA-N	365.864	4.841	50	20	FJGD	
COc1ccccc1C[C@@H](C)N(C)C(=O)CCCC[C@H]1CCSS1	742776315	ATRPTCIKOOGSGM-WBVHZDCISA-N	367.580	4.799	50	20	FJGD	
Cc1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)oc2c(C)cccc12	746894364	KYPZBQZMAFXENF-UHFFFAOYSA-N	373.334	4.697	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)s1	764324458	NVOOFJFJXSSQCQ-UHFFFAOYSA-N	358.385	4.701	50	20	FJGD	
Cc1cccc2cc(C(=O)NNc3c(Cl)cc(F)cc3Cl)oc12	767407758	ZIJOQPNQWUUGHJ-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F	768301631	ZLFBZFNONUGLOU-GJZGRUSLSA-N	374.269	4.828	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)OCC2CCC(C(F)(F)F)CC2)cc1	770328069	YCNWMPCDFCVATK-XNTDXEJSSA-N	367.367	4.514	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	771330453	IKPMHLYVYIQYOK-HNNXBMFYSA-N	364.424	4.583	50	20	FJGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1	773158672	DKCAVFQMLWPSEN-YWEYNIOJSA-N	360.719	4.744	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)c(C)n1C1CC1	776256742	FYEMLEBSSFUAPK-YBEGLDIGSA-N	356.372	4.831	50	20	FJGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)nn1C1CCCCC1	780805872	GCAJIJGDHORMOO-UHFFFAOYSA-N	354.498	4.751	50	20	FJGD	
N#C/C(=C/c1nc2c(s1)CCCC2)C(=O)c1cccc(C(F)(F)F)c1	782368390	DSCIFIVRDVXDSZ-XFXZXTDPSA-N	362.376	4.831	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1c[nH]cc1-c1ccccc1F	787459664	BWHSECKORMVUKP-UHFFFAOYSA-N	364.207	4.885	50	20	FJGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791726553	IGWOTLAMNOARCG-SNAWJCMRSA-N	370.305	4.904	50	20	FJGD	
CCc1ccc2occ(C(=O)NNc3cccc(Br)c3)c2c1	802823996	MSMRLYNFBDCFGL-UHFFFAOYSA-N	359.223	4.515	50	20	FJGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc2c(Cl)cccc2s1	805380581	DKNYMCBCHBHXBP-UHFFFAOYSA-N	361.810	4.528	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3c(C)nn(C)c3Cl)n2)cc1	812487602	DCWDRXPZWUAKKD-RIYZIHGNSA-N	354.866	4.878	50	20	FJGD	
C=C(C)CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	832130200	LLDDTBUWVAYDDO-UHFFFAOYSA-N	351.362	4.589	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CCC[C@H]1CO	836511990	KXTQIBVOCAFEDE-CABZTGNLSA-N	360.348	4.627	50	20	FJGD	
COc1ccc(C(=O)CCCCC(=O)NNc2ccc(C(C)C)cc2)cc1	837053140	PHXQBRNFSOUQGT-UHFFFAOYSA-N	368.477	4.705	50	20	FJGD	
NC1(CNC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCCC1	850734901	IRSHRVUEDYHMDX-UHFFFAOYSA-N	359.364	4.737	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1c(Cl)cccc1C(F)(F)F	901164504	JNOSASODHPTMCG-UHFFFAOYSA-N	368.786	4.995	50	20	FJGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(CSC(F)F)o1	915977268	WOEYMCFTWKEFEX-UHFFFAOYSA-N	374.412	4.581	50	20	FJGD	
C[C@H]1CN(CCP(=O)(c2ccccc2)c2ccccc2)c2ccccc21	917115879	FQKIDWZQIRHEQN-IBGZPJMESA-N	361.425	4.624	50	20	FJGD	
C[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)c1nnc2n1CCC2	921519896	QDXMRJPOXNCKBY-SNVBAGLBSA-N	368.375	4.733	50	20	FJGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1	130294246	WMPRFRVBVSNREB-SSZFMOIBSA-N	374.396	4.764	50	20	FJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F	210608619	XQDXJOSIFIMKQH-XFXZXTDPSA-N	350.727	4.904	50	20	FJGD	
Cc1cccc(NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1	215781294	VLNHGBNSIDLDKV-UHFFFAOYSA-N	372.428	4.506	50	20	FJGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2coc(-c3ccc(C)cc3)n2)cc1	255911470	USHAEEWSMNHMEK-ATVHPVEESA-N	373.412	4.594	50	20	FJGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1nccc2sccc12	734249438	ZTQRQTAAYWJBEY-UHFFFAOYSA-N	372.500	4.547	50	20	FJGD	
CCCCCCNC(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	734306529	PTQFWDUSKZLOBJ-SFQUDFHCSA-N	353.491	4.722	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNc2cc(F)c(F)cc2F)c1C	734551940	CFILXMFSKFXFGQ-UHFFFAOYSA-N	373.378	4.577	50	20	FJGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)c3c(Cl)cccc3Cl)n12	748996927	COXYXTBDBKEYBF-WQLSENKSSA-N	356.212	4.739	50	20	FJGD	
Cc1cccc(NNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc23)c1	750231974	CYCNUZUMJPCUHV-CYBMUJFWSA-N	371.893	4.821	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2Cl)c1C	761392703	OISQEJQUTHQXKP-DHDCSXOGSA-N	369.827	4.969	50	20	FJGD	
COc1ccc2oc(C)c(C(=O)NNc3c(Cl)cccc3Cl)c2c1	763611210	VPMSTPBMOSDDNB-UHFFFAOYSA-N	365.216	4.814	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)c1	767094389	UIBSQKIWYRMJBL-WBVHZDCISA-N	350.478	4.733	50	20	FJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)c1ccccc1OC(F)F	776720987	VWMHNGICEHKCPL-VZUCSPMQSA-N	351.711	4.870	50	20	FJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(C)c(OCc2cccc(Cl)c2)c1	779280435	DGNTZBMXPBFPOQ-DTQAZKPQSA-N	370.836	4.610	50	20	FJGD	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CC=C(C#N)CC3)cc2)cc1	780686891	HXVHCMAGXYUWLL-UHFFFAOYSA-N	374.484	4.859	50	20	FJGD	
Cc1ccncc1/C=C\C(=O)NNc1c(Cl)cc(Cl)cc1Cl	783695052	RSPQGRLUFPMINE-IHWYPQMZSA-N	356.640	4.507	50	20	FJGD	
CCCN(Cc1c(F)cccc1Cl)C(=O)/C(C#N)=C/c1ccc(O)cc1	786891263	DOCAPEDLEIMRQV-RVDMUPIBSA-N	372.827	4.530	50	20	FJGD	
CCOC(=O)Nc1ccc(NCc2ccc(OCCCCl)cc2)cc1	811470320	XAEPIXJLOSHURO-UHFFFAOYSA-N	362.857	4.875	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](CC(F)(F)F)C1	817630913	WTFLLTNTKXXIRB-CHWSQXEVSA-N	355.491	4.892	50	20	FJGD	
CCCC[C@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191181	VYPNHWMOZADTNG-LLVKDONJSA-N	361.380	4.983	50	20	FJGD	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1cccc(Cl)c1	915986907	IHRZIOGYEXKXMC-NVNXTCNLSA-N	368.223	4.969	50	20	FJGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(C)cs3)o2)cc1	917042016	DAHWRYQSSFAAII-OQLLNIDSSA-N	350.399	4.562	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)c2ccccc2)c(C)n1CC(C)C	917370341	RBZJNTVMKQSKNA-ZFJBLLOBSA-N	363.505	4.888	50	20	FJGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	917516192	NHBFJCZSSUDMFI-XDJHFCHBSA-N	354.409	4.908	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC#N)c2)cc1	917619721	LUPLKHIZRJWVCE-UEIJICEPSA-N	359.429	4.648	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	917621291	PBBNHUHFHWDHTC-XNTDXEJSSA-N	360.800	4.623	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCCOC(C)(C)C)c(C)n1C1CCCCC1	920509526	NINTWEXLLBUZKS-XMHGGMMESA-N	372.509	4.875	50	20	FJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	6410587	QMQKLOINGXQYID-QGOAFFKASA-N	364.445	4.728	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	6951432	ZXUSFQXWCDEXFR-SAPNQHFASA-N	372.424	4.793	50	20	FJGD	
COc1cc2c(CBr)cn(C(=O)OC(C)(C)C)c2cc1Cl	38244755	TVCSWKCDLCMNNA-UHFFFAOYSA-N	374.662	4.981	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2ccncc2)nc2ccccc12	120393409	GIYBAEMFKWHGPL-UHFFFAOYSA-N	374.831	4.707	50	20	FJGD	
Cc1cc(C(=O)NNc2cccnc2Cl)c(C)n1[C@@H](C)c1ccccc1	176241469	LPXYCMOJMBOFIM-AWEZNQCLSA-N	368.868	4.520	50	20	FJGD	
CN(C1CCC1)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	187208311	ARTIDGKZNZREPP-UHFFFAOYSA-N	351.362	4.517	50	20	FJGD	
CCC(C)(C)NC(=O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	192818132	ZIZXLGJMLNKBQI-UHFFFAOYSA-N	360.348	4.587	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(OC2CCCC2)c1	731161920	AOPQSMOQEHVGHA-UHFFFAOYSA-N	364.367	4.784	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1	734304594	PGBJOKDEWIZPHR-LDADJPATSA-N	360.388	4.618	50	20	FJGD	
CC[C@H](NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(F)cc1	738416004	HIENAZOEPZUADU-BTYIYWSLSA-N	366.436	4.518	50	20	FJGD	
Cc1cccc2oc(CCNC(=O)CCCC[C@@H]3CCSS3)nc12	742970190	FAHPEYDSQIYMEH-CQSZACIVSA-N	364.536	4.509	50	20	FJGD	
C[C@@H](C(=O)NNc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1	746689880	YIJIVVUZBOEVPQ-SSDOTTSWSA-N	363.166	4.658	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1)C1CCCCC1	755404721	BHOOVZBHGDNKGP-UKTHLTGXSA-N	354.347	4.543	50	20	FJGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)c1ccc2ccccc2c1	781123643	ZFCMFHQVAVJBOO-UHFFFAOYSA-N	359.816	4.805	50	20	FJGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)c1c(Cl)cccc1Cl	781591467	HFLIINUDKNQRMC-UHFFFAOYSA-N	351.208	4.796	50	20	FJGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1OC(C)C	794886122	ZVTSARKYQQTULX-UYRXBGFRSA-N	372.424	4.820	50	20	FJGD	
COCCOCc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	809146335	OKTMCKYQJAHUFM-GZTJUZNOSA-N	356.491	4.668	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1csc(-c2ccoc2)n1	812768571	WQXXPZXVYWJLAR-UHFFFAOYSA-N	355.463	4.521	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1	884004033	BGOAIOIQWCPYBT-MHWRWJLKSA-N	351.406	4.525	50	20	FJGD	
C[C@H](NC(=O)NN(Cc1ccccc1)c1ccccc1)c1ccc(C#N)cc1	916627640	IUJIGIXFJVHEMM-SFHVURJKSA-N	370.456	4.540	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H]2CC[C@@H](C#N)C2)c(C)n1C1CCCCC1	1516748566	FDTAHEAZTVYLRH-GORRNGAYSA-N	365.477	4.753	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2csc(C(=O)O)c2)cc1	1776697453	CQRYNVGAYGKHTF-AZZDOICSSA-N	354.431	4.505	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1)c1cc(C2CC2)nc2ccc(F)cc12	120398249	GVIBMURQGXOBFO-UHFFFAOYSA-N	355.800	4.662	50	20	FJGD	
Cn1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c(-c2ccccc2)n1	179718417	UPSYAVGGCIACLO-GZTJUZNOSA-N	369.453	4.670	50	20	FJGD	
CN(C(=O)/C(C#N)=C\c1csc(-c2cccs2)n1)C1CCCCC1	255883962	UEJOCOMENNBMKX-RAXLEYEMSA-N	357.504	4.570	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)c1cc2ccccc2o1	588558351	PRSPKITWVFQLCV-JYRVWZFOSA-N	351.745	4.574	50	20	FJGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)c1ccc(Cl)cc1F	588559738	YMASSVRVPRIOMU-POHAHGRESA-N	364.159	4.621	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2c(C)nn(Cc3ccccc3)c2C)c1C	727655538	XKRYXLWUJYFQIY-BKUYFWCQSA-N	369.468	4.955	50	20	FJGD	
CCOC(=O)Nc1ccc(OC(=O)CCCC[C@H]2CCSS2)cc1	730784548	XVBIZNMOQBHGTC-HNNXBMFYSA-N	369.508	4.875	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cccc(OCc3ccccc3C#N)c2)n1	731351907	GXCVCAJAHWNVEZ-DJKKODMXSA-N	357.438	4.966	50	20	FJGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccnc2cc(Cl)ccc12	732828892	VZNKYXFYWARWMV-OAHLLOKOSA-N	353.853	4.600	50	20	FJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	734275275	WROYGOWMHYWEAI-IBGZPJMESA-N	369.827	4.895	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1Br	746394918	TWAWCQJGAJAKGW-SWEABUAFSA-N	369.262	4.542	50	20	FJGD	
Cc1cc(NNC(=O)/C=C/c2ccc(Cl)s2)ccc1Br	748606962	NMAPGRQDELVRSI-QPJJXVBHSA-N	371.687	4.629	50	20	FJGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@H](C)c1nc2ccccc2s1	748788072	MOFZHUYRVLGPNC-JTQLQIEISA-N	373.865	4.565	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](c2ccc(F)cc2)C1	755551995	GZLDQXORHVLEMI-RDJZCZTQSA-N	353.528	4.856	50	20	FJGD	
C=C[C@H](CC(=O)NNc1ccc(Br)cc1C)c1ccccc1	759661569	BLCIDAPJSNVKCW-CQSZACIVSA-N	359.267	4.561	50	20	FJGD	
CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CC=C(C#N)CC3)c2C1	760004034	SIEKXGPWGVVNKO-KRWDZBQOSA-N	373.500	4.682	50	20	FJGD	
Cc1cc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)ns1	766389666	SKOARAAWBLKHCO-LBPRGKRZSA-N	366.817	4.923	50	20	FJGD	
O=C(/C=C\c1ccc(OCCBr)c(Cl)c1)c1ccco1	769772338	XPFFLUUEIMGNFT-HYXAFXHYSA-N	355.615	4.603	50	20	FJGD	
N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1	772795561	BJAFHDJTROCRAJ-YHYXMXQVSA-N	357.778	4.628	50	20	FJGD	
CN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773219133	QFZNIMJYVUTKJW-UHFFFAOYSA-N	374.375	4.787	50	20	FJGD	
COc1cc(/C(C#N)=C\c2cccc(C)c2OC(F)F)ccc1[N+](=O)[O-]	777918478	APBVHGDBQCLTOQ-ZSOIEALJSA-N	360.316	4.577	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2oc3ccccc3c2c1	786769976	ZNOZPPQWHLDXGR-RVDMUPIBSA-N	354.365	4.837	50	20	FJGD	
O=S(=O)(CCCCCl)Nc1cc(-c2ccccc2)ccc1Cl	794595958	PGWFLXFPITXIFG-UHFFFAOYSA-N	358.290	4.768	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)cc1Cl	794869108	GIXPZCVFTQCVJM-JYRVWZFOSA-N	362.763	4.832	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797405733	GERSRPYUZVFFFR-LFIBNONCSA-N	356.491	4.920	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNc1ccccc1Cl	797654817	XLJSEHSQAIEIPX-UHFFFAOYSA-N	352.825	4.859	50	20	FJGD	
Cc1sc2nc(/C(C#N)=C/c3cccc(CCl)c3)nc(O)c2c1C	799890438	LZLQMPIILAPOCB-VGOFMYFVSA-N	355.850	4.817	50	20	FJGD	
CC(C)c1cnc(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)[nH]1	863365414	FFGZRRQPLCHAHD-ZWLCBZGVSA-N	370.503	4.536	50	20	FJGD	
CS(C)(=O)=Nc1ccc(NCc2ccc(OCCCCl)cc2)cc1	883129330	PIAIVOQXTIOOEE-UHFFFAOYSA-N	366.914	4.666	50	20	FJGD	
O=C(NNc1ccccc1C(F)(F)F)C(F)(F)c1cccc(Cl)c1	921025570	VWKZZHIFLMNRFU-UHFFFAOYSA-N	364.701	4.594	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(-c3ccc(OC)cc3)o2)c1C	1117210488	ANGFNFGNENQQNV-PDGQHHTCSA-N	362.433	4.638	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(Br)c(Cl)c2)cc1Cl	1333265699	VRXNQIOXLSYLDW-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
O=C(NNc1ccc2ccccc2n1)c1nc(-c2ccccc2)oc1C1CC1	1341870555	ROSLQOXYDXXCQX-UHFFFAOYSA-N	370.412	4.524	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1OCCCC#N	64367502	FOBWAALCKHSUBK-WJDWOHSUSA-N	366.442	4.538	50	20	FJGD	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)ccc1OC	66408147	YCDGWMFWLZKRMA-YBEGLDIGSA-N	363.442	4.677	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)c1ccc(Br)s1	107066989	GYAGVEKJPYUVDQ-UITAMQMPSA-N	354.175	4.579	50	20	FJGD	
C[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	174796288	OHUWYDXTYSTEKW-BXKDBHETSA-N	352.809	4.922	50	20	FJGD	
CCCNC(=O)/C(C#N)=C\c1nc(-c2cc(Cl)ccc2Cl)cs1	179069239	AJHLSVGSXHEJOQ-POHAHGRESA-N	366.273	4.550	50	20	FJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	212111595	PWAWHSRCJCXNMT-YFHOEESVSA-N	352.262	4.529	50	20	FJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	213383974	OYYRGBBJKNHELD-ATVHPVEESA-N	372.424	4.840	50	20	FJGD	
O=C(NNc1nc(-c2ccccc2)no1)c1ccc(C2CCCCC2)cc1	728081027	XXTGKTGWRKCYCW-UHFFFAOYSA-N	362.433	4.541	50	20	FJGD	
Cc1cccc(COc2cccc(CC(=O)NNc3cccc(C)c3)c2)c1	731784652	BBNHGARZSIVYNT-UHFFFAOYSA-N	360.457	4.568	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C\c3cn(CCC#N)c4ccccc34)[nH]c12	735669243	BNTMQFHSIPZESF-VBKFSLOCSA-N	351.413	4.804	50	20	FJGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	746342235	OXAWXKHDBMGEML-LDADJPATSA-N	374.440	4.682	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)s1	750247732	SQOSTUCWFRMJRM-QMMMGPOBSA-N	373.787	4.539	50	20	FJGD	
COc1cc(/C(C#N)=C\c2csc(-c3ccsc3)n2)ccc1[N+](=O)[O-]	766777071	CCBUPUPDFSPQHG-MLPAPPSSSA-N	369.427	4.853	50	20	FJGD	
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NNc1ccccn1	779046752	FAYZVTZKFNVARW-INIZCTEOSA-N	362.433	4.679	50	20	FJGD	
O=S(=O)(NC1(C2CC2)CC1)c1ccc(S(F)(F)(F)(F)F)cc1	782985667	RLSBOCZSVNXMLD-UHFFFAOYSA-N	363.373	4.565	50	20	FJGD	
N#C/C(=C/c1cccc(Br)n1)C(=O)c1cc2ccccc2s1	788361246	XRAUCHVOAFSUSE-WQLSENKSSA-N	369.243	4.849	50	20	FJGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)c1cc(C(F)(F)F)ccn1	812248389	LHHGQBVSFVUAEI-VIZOYTHASA-N	372.325	4.548	50	20	FJGD	
COc1ccc(NNC(=O)CCCc2ccc(C)s2)c(C(F)(F)F)c1	816704340	OMQVGQFSHMXFDX-UHFFFAOYSA-N	372.412	4.550	50	20	FJGD	
COc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)c(SC)cc1OC	843264500	JBRDSDKLHYWCOY-AWNIVKPZSA-N	358.488	4.824	50	20	FJGD	
CC(C)c1nnc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)s1	844336458	LXNCIOFGRUDZJZ-AWEZNQCLSA-N	355.624	4.648	50	20	FJGD	
CC1CCC(=NNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1	916295037	LVEIADPBQQVRLO-UHFFFAOYSA-N	354.425	4.701	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)CCCCc2nc3ccccc3s2)c1	917512500	JSJQQXUXHGWALK-UHFFFAOYSA-N	353.491	4.769	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2cc(F)ccc2F)cc1	920159618	YXFILGPQCSIRQO-OJNRTJSBSA-N	357.356	4.575	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1	1116344141	RKKZDZIJSPXJTG-UHFFFAOYSA-N	371.799	4.732	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nc(N)c2ccccc2n1	1317813267	RVDVDLBHWADXQS-ACCUITESSA-N	356.360	4.675	50	20	FJGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNCC2(C(=O)O)CCCC2)c1	1776269154	WTESEKVWFOLOFI-UHFFFAOYSA-N	363.574	4.805	50	20	FJGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc2ccccc2c1	124926480	VXZOYAHDRBGMAC-UHFFFAOYSA-N	360.335	4.538	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CC[C@H](O)CC1	192259248	ZZZJTMRDSUYBNH-JGZJWPJOSA-N	360.348	4.769	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)c3nc(C)cs3)cs2)cc1	194335516	KXVIVDRSMZQRBQ-VGOFMYFVSA-N	353.472	4.860	50	20	FJGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC(C)(C)C1	303235326	ZENKLYHYBFEQIP-VXGBXAGGSA-N	371.308	4.607	50	20	FJGD	
O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)NNc1ccccn1	588391679	OOHYNMWHUNBUQA-LUAWRHEFSA-N	355.850	4.620	50	20	FJGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)C(=O)c1ccc(F)cc1	588449946	PUMLXUALVJDEBI-NTUHNPAUSA-N	367.273	4.696	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1Oc1cccc(F)c1	588515474	KJGWREBKRRBSHF-FOWTUZBSSA-N	374.371	4.869	50	20	FJGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1F	727655411	WJZNAPCNHLULIZ-ACAGNQJTSA-N	363.219	4.988	50	20	FJGD	
O=C(NNc1ccccc1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1	732265985	WFJBMOPICRAXGO-IBGZPJMESA-N	370.424	4.942	50	20	FJGD	
O=C(NNc1ccc(F)cc1F)c1cc2c(Cl)c(Cl)ccc2[nH]1	733361783	BRIKUJYNYPIVSY-UHFFFAOYSA-N	356.159	4.510	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)C3CCC3)cc2)cc1	747626162	WAFRPIGOGAOUDZ-UHFFFAOYSA-N	366.461	4.570	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(OC)cc1F	748672954	RMQGMJIMINNTNG-UHFFFAOYSA-N	358.438	4.785	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3nc(Cl)cs3)n2)cc1	759076165	LTSYHFHTRZLZQN-IZZDOVSWSA-N	359.863	4.993	50	20	FJGD	
C[C@H](Sc1nc2ccccc2s1)C(=O)NNc1cccc(Cl)c1	762943991	NJBGPJCMSIWTGQ-JTQLQIEISA-N	363.895	4.574	50	20	FJGD	
Cc1cc(/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)ccc1[N+](=O)[O-]	774558583	LPCKENCVPPUUMC-LDADJPATSA-N	358.401	4.770	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)CC(F)(F)F)c(C)n1CC(C)C	782818660	WMXIVNVLJZMXPW-PXNMLYILSA-N	369.431	4.515	50	20	FJGD	
ClCCCOc1ccc(CN[C@@H](c2ccccc2)c2cccnc2)cc1	811477709	CUUICYUPSMYKOU-QFIPXVFZSA-N	366.892	4.969	50	20	FJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1Br)c1ccccn1	811627663	WYHGZWXFCACRAR-YRNVUSSQSA-N	353.141	4.927	50	20	FJGD	
O=C(NNc1cccc(Cl)n1)C1(c2c(Cl)cccc2Cl)CCC1	817006422	JGFARGJLLRQVOA-UHFFFAOYSA-N	370.667	4.607	50	20	FJGD	
CCc1c(C(=O)NNc2cccc(Cl)c2Cl)cnn1CCC(C)C	838351277	XYYGIWCKJDSJGM-UHFFFAOYSA-N	369.296	4.555	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C2CCCC2)C2CC2)c(C)n1CC(C)C	914573755	WLLFDMNCKAXVLE-XDHOZWIPSA-N	353.510	4.602	50	20	FJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)o2)cc1	915983398	ANMZDDQQJHLKFS-DEDYPNTBSA-N	363.438	4.902	50	20	FJGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1ccccc1Cl	916349287	LGJYVYGHOWJWCL-UHFFFAOYSA-N	355.850	4.536	50	20	FJGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)OC[C@H](C)CBr	1116655280	ONQGYWWZTHCMQI-GFCCVEGCSA-N	366.255	4.653	50	20	FJGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccc(C)c(Cl)c3)cc2)n1	1327517388	MKTAELKZUPCSFT-UHFFFAOYSA-N	372.881	4.914	50	20	FJGD	
C[C@@H](NC[C@H](CBr)C1CC1)c1nc2ccccc2n1C(F)F	1329798485	PICOKUDBJGWYGO-PWSUYJOCSA-N	372.257	4.503	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cccc2ccccc12	23215234	YWLKGXHPVFUTKE-FOWTUZBSSA-N	364.351	4.987	50	20	FJGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1O	116168835	RTKPCNQTXFCNQK-BOPFTXTBSA-N	372.424	4.709	50	20	FJGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(F)cc(C(F)(F)F)c1	124908864	CPGGVWGYOOHILL-UHFFFAOYSA-N	366.236	4.620	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C(C)=O)cc1	175624757	ULQNGUUEHQYSKV-UHFFFAOYSA-N	352.459	4.839	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N[C@H]1CC[C@H](O)CC1	184424998	REOPWWOTASEIMV-JGZJWPJOSA-N	360.348	4.769	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	209979962	YEJCTPBTMBYEOC-XFFZJAGNSA-N	352.262	4.529	50	20	FJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Cl	211504127	LSRJSEFYRWWXOX-XFXZXTDPSA-N	350.727	4.904	50	20	FJGD	
N#C/C(=C/c1cc(O)ccc1Br)C(=O)c1ccc(Cl)s1	588424720	IKGQBCRXSPBQNA-UITAMQMPSA-N	368.639	4.659	50	20	FJGD	
O=C(Nc1ccc2[nH]ccc2c1)NN(Cc1ccccc1)c1ccccc1	729038907	HKEZNWQWEZYQKQ-UHFFFAOYSA-N	356.429	4.911	50	20	FJGD	
C[C@H](SCc1ccccc1)C(=O)NNc1ccnc2cc(Cl)ccc12	729514754	MZCMFBMMPSUZCW-ZDUSSCGKSA-N	371.893	4.653	50	20	FJGD	
Cc1cc2occ(CC(=O)NNc3c(F)cccc3F)c2cc1C(C)C	735700270	HBKTZZRAUWZTLD-UHFFFAOYSA-N	358.388	4.829	50	20	FJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cnc3c(C)cccn23)cc1	741469188	OLGGEXVJUJOQFP-QGOAFFKASA-N	358.445	4.531	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cc(C)ccc1OC	748672958	RNRUDUSKGXRMBO-UHFFFAOYSA-N	368.502	4.883	50	20	FJGD	
COc1cccc2cc(C(=O)NNc3cc(Cl)ccc3Cl)oc12	752809479	DUTDOTVRRDCOJK-UHFFFAOYSA-N	351.189	4.505	50	20	FJGD	
CCOc1c(Cl)cc(NC(=O)NNc2ccc(F)cc2)cc1Cl	768085457	IEMPJEYHEHHIPQ-UHFFFAOYSA-N	358.200	4.680	50	20	FJGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNc1ccccc1C(F)(F)F	775755897	WIJWZNASQRGJKV-LBPRGKRZSA-N	369.391	4.658	50	20	FJGD	
O=C(NNc1cccc2c1CCCC2)c1coc(-c2ccccc2Cl)n1	776488940	UKAPNMNOEQMEGF-UHFFFAOYSA-N	367.836	4.631	50	20	FJGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc2ccccc2n1	777462572	XLPMOWFQKBTWEC-GFCCVEGCSA-N	357.866	4.512	50	20	FJGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398294	FYQUVTQCZSFQJM-JYRVWZFOSA-N	357.435	4.812	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c(OC(F)F)c1	809146675	RYJQYFZZBXCYHP-CXUHLZMHSA-N	357.356	4.703	50	20	FJGD	
N#Cc1cccc(NNC(=O)c2csc(-c3ccc(Cl)cc3)c2)c1	815851225	VWOHCGBLVKQSJK-UHFFFAOYSA-N	353.834	4.697	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CC(C)(C)C#N)c(C)n1C1CCCCC1	817618128	VFYHDFSZDBFQHG-XDHOZWIPSA-N	366.509	4.525	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(Br)cc1C(F)(F)F	834444520	GCACFKFJNKPMHF-WEVVVXLNSA-N	364.136	4.692	50	20	FJGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccccc1Cc1ccccc1	846460339	BILCRXKZXZCRDX-OAHLLOKOSA-N	350.384	4.699	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N=c1ccccn1Cc1ccccc1	849185579	FGLQBLAAENRHAX-GOSISDBHSA-N	372.559	4.678	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2c(Cl)ccc3cccnc23)cc1	915371014	LHWKWPVWNZXDQO-BOPFTXTBSA-N	362.816	4.847	50	20	FJGD	
O=C(NN=Cc1c(F)cccc1Cl)c1cc2c(s1)CCCCCC2	916350606	WJPMPNSPAPVOKF-UHFFFAOYSA-N	364.873	4.964	50	20	FJGD	
C[C@@H](Cc1cccs1)NC(=O)NN(Cc1ccccc1)c1ccccc1	916509321	DLJMGKUCXANYNS-KRWDZBQOSA-N	365.502	4.600	50	20	FJGD	
Cc1csc(/C(C#N)=C\c2c(C)nn(Cc3ccccc3)c2Cl)n1	917043138	TZSUYZWSSDATMO-NVNXTCNLSA-N	354.866	4.722	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(-c3ccccc3)o2)n1	920387657	NPMTWAXDFPADOX-GXDHUFHOSA-N	350.399	4.644	50	20	FJGD	
COc1ccccc1CCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	15434479	MJHUPCYVGKHXPJ-UHFFFAOYSA-N	373.667	4.731	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1C	21836999	ZPCIRGJTTLMMCA-RBYWHNRPSA-N	367.468	4.781	50	20	FJGD	
COc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1F	71923776	DGCPYEGPLLKYQN-YRNVUSSQSA-N	350.176	4.931	50	20	FJGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C1CC1	181124730	BLXROBKUMJLYCB-AWEZNQCLSA-N	354.498	4.786	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2cnn(Cc3ccc(F)cc3)c2)n1	186973592	OUWYHHDLYVONCW-FRKPEAEDSA-N	352.438	4.715	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1)c1ccccc1	209744728	YOHXNKVXSMTNMZ-LERPTODRSA-N	365.483	4.656	50	20	FJGD	
C[C@@H](CO)CCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	274089717	TWEOEKWAVUPVQF-SNVBAGLBSA-N	362.364	4.874	50	20	FJGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cnc(-c3ccccc3)s2)n1	727267183	OWGKGQPJCVTIKP-MDWZMJQESA-N	367.455	4.507	50	20	FJGD	
C=CC[C@H](C)NC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	735170610	NPEQJHLQDHHRCO-CABZTGNLSA-N	352.809	4.992	50	20	FJGD	
O=C(NNc1c(F)cccc1F)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	743455663	QIFSOZSZUGRRGW-NWDGAFQWSA-N	357.187	4.518	50	20	FJGD	
C[C@@H](C=NNC(=O)c1cc2ccccc2o1)c1cccc(Br)c1	749817188	BRZIVDYBTZZVFG-LBPRGKRZSA-N	371.234	4.715	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2OC(F)F)c(C)c1	756783735	LLOSSULIKWCLJC-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cn(C)nc3-c3cccs3)n2)cc1	769550427	FCCJTYGZZANYTN-GDNBJRDFSA-N	373.441	4.571	50	20	FJGD	
Cc1cc(C(=O)NNc2c(F)cccc2Cl)c(C)n1Cc1ccccc1	771674637	RJUMUVYFLZBLMV-UHFFFAOYSA-N	371.843	4.703	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1	775270697	RQQYOWUKAJDJDG-UHFFFAOYSA-N	372.255	4.664	50	20	FJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccccc1OC(F)(F)F	779218316	XYHQXNBUKAHGBF-KHPPLWFESA-N	370.758	4.785	50	20	FJGD	
CN(C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1)C1CCCCC1	781549092	MSDOUDGXTYRWEA-SDNWHVSQSA-N	350.434	4.699	50	20	FJGD	
Cc1cccnc1NNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1	791221844	ZZKGRVTZENKKDJ-SFHVURJKSA-N	367.449	4.506	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1	794965523	VNABVFMBZFORJL-UNOMPAQXSA-N	364.408	4.723	50	20	FJGD	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3cccc(F)n3)c2c1	804766966	ZKZVMOXKJAMHIV-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CC(C)(C)Cc1nc2cc(NC(=O)NNc3cccc(Cl)n3)ccc2o1	814635455	BIXHEVHDLIXCQO-UHFFFAOYSA-N	373.844	4.613	50	20	FJGD	
Cc1cccnc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	843072710	FTUJTYXPETWVGQ-UYRXBGFRSA-N	362.477	4.859	50	20	FJGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	857488851	NNDMLDJGHFQVBY-ZDUSSCGKSA-N	365.399	4.546	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)C1CCCC1	1320223680	FTLKQCWUTDOXKY-KPKJPENVSA-N	357.303	4.556	50	20	FJGD	
Cc1cccc2nc(/C(C#N)=C/c3csc4ccc(C(=O)O)cc34)[nH]c12	1777448269	LRCHGIUEFGRGIK-NTUHNPAUSA-N	359.410	4.848	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nnc2n1CCCCC2	16411965	OVMVQVIEEHDINR-NTCAYCPXSA-N	364.836	4.982	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)C(C)(C)C)c(C)n1C1CCCCC1	21972042	OCMZRZIMZQCRHJ-LDADJPATSA-N	370.493	4.676	50	20	FJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccccc1	22313798	MFCDOCNRSNWMAU-SFQUDFHCSA-N	362.429	4.778	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)c1nnc2n1CCCCC2	77506435	QBMOJNNRRSBHEU-WJDWOHSUSA-N	364.449	4.936	50	20	FJGD	
Cc1ccc2ncc(/C=C(/C#N)c3nc(-c4ccc(C#N)cc4)cs3)n2c1	151413440	KGDGCMJZJUUUGD-IUXPMGMMSA-N	367.437	4.702	50	20	FJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)Nc3ccccc3C)s2)cc1	172043505	NHIUJWARUZXHOH-GZTJUZNOSA-N	359.454	4.973	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1OC	211585423	WQPIGHDSKBFIBH-VBKFSLOCSA-N	364.445	4.547	50	20	FJGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2nc(C)cs2)o1	229987188	QTBLCYYFFKUUFP-LCYFTJDESA-N	350.399	4.562	50	20	FJGD	
C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(CCCl)cc1	320345070	PAJZLGOWNFWFJC-ZDUSSCGKSA-N	372.317	4.503	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc2c(Cl)cccc2s1	728718452	KFJLOEOKPGQCHO-UHFFFAOYSA-N	356.756	4.729	50	20	FJGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccnc2cc(Cl)ccc12	732828890	VZNKYXFYWARWMV-HNNXBMFYSA-N	353.853	4.600	50	20	FJGD	
Cc1ccc(F)c(C=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1	734978416	GZMWQSLJBRXULS-UHFFFAOYSA-N	356.397	4.766	50	20	FJGD	
CC(C)[C@@H]1CCCCN1CCP(=O)(c1ccccc1)c1ccccc1	735311404	IWBKASRCGOTPRE-QFIPXVFZSA-N	355.462	4.511	50	20	FJGD	
C[C@H](C=NNC(=O)c1cccc(Cl)c1)c1cccc(Br)c1	747628309	SMKJLCADBIURNN-LLVKDONJSA-N	365.658	4.622	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(COc3cccc(F)c3)c2)c1	748364810	QYWQBRWXSZPGFI-UHFFFAOYSA-N	364.420	4.778	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cnc(-c2ccccc2)s1	752811469	WWSFJCFQXNYAII-UHFFFAOYSA-N	364.257	4.874	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2sc3cc(F)ccc3c2Cl)c1	760141168	INQCUMDIXOKLLG-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C	771702182	VHIUUTRBYYZJAA-MRXNPFEDSA-N	365.452	4.919	50	20	FJGD	
CC(C)Cn1ccc2c(C(=O)NNc3ccc4ccccc4n3)cccc21	772532003	OMSXRSDXMOPUIM-UHFFFAOYSA-N	358.445	4.602	50	20	FJGD	
CC1(C)CCCC[C@H]1NCCP(=O)(c1ccccc1)c1ccccc1	775681607	CXDVOKGRLMZXJR-OAQYLSRUSA-N	355.462	4.559	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)c1ccc(OC(F)F)cc1	776259393	ILIYYFNGGPQFJU-KPKJPENVSA-N	351.711	4.870	50	20	FJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC(=O)c2ccccc21	789614666	VDNWSRGLPABWMX-SFHVURJKSA-N	364.470	4.693	50	20	FJGD	
CO[C@H]1CCOc2c(NC(=O)CCCC[C@H]3CCSS3)cccc21	790600917	OXRCZBXSSVYOGO-BBRMVZONSA-N	367.536	4.809	50	20	FJGD	
O=C(CCN1c2ccccc2Sc2ccccc21)NCC(Cl)Cl	808130558	DVXAFHNMUYXXFA-UHFFFAOYSA-N	367.301	4.599	50	20	FJGD	
CC(CC(C)(C)C#N)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	853278493	DYPYPEHENWIXHF-UHFFFAOYSA-N	374.897	4.696	50	20	FJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)N1CC[C@H]2C[C@H]2C1	854264972	FMJZVRBOOMYHCP-KWBADKCTSA-N	364.820	4.780	50	20	FJGD	
Cc1ccc(NNC(=O)CCc2nc(C)c(-c3ccccc3)o2)cc1Cl	1116008394	VQZULPMEWWDJMP-UHFFFAOYSA-N	369.852	4.688	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(/C=C/C(=O)O)cc2)cc1	1776697504	HBDIWXGDCWTXBS-KGWVRFRVSA-N	374.440	4.844	50	20	FJGD	
CC(=O)Nc1cc(NC(=O)CCCC[C@@H]2CCSS2)ccc1C	48903990	KJWHXIWJAUFLJT-OAHLLOKOSA-N	352.525	4.606	50	20	FJGD	
N#CCCCCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	171367050	JWXQGOVAXBCAKU-LBPRGKRZSA-N	365.808	4.721	50	20	FJGD	
O=C(NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)C1CCC1	731932218	CFPKDZRGDPGQPZ-UHFFFAOYSA-N	352.381	4.684	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cnc4ccc(Cl)cn34)c[nH]c2c1	737443963	MVHSTOHNHSEXAP-NTUHNPAUSA-N	360.804	4.567	50	20	FJGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1nc(-c2ccccc2F)oc1C	737494459	REJDJNBJEFBAEO-UHFFFAOYSA-N	370.336	4.533	50	20	FJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(F)cc2)c1Cl	741473391	HRXWCUWLECBDIJ-ATTDUZETSA-N	373.859	4.945	50	20	FJGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc(OC(F)F)cc1	748658935	AWTHOMUHOFHDLM-JTQLQIEISA-N	372.824	4.565	50	20	FJGD	
CC[C@@H](C(=O)NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1	752806849	OKHQTOCSHDBTII-GFCCVEGCSA-N	358.310	4.621	50	20	FJGD	
CC[C@H](NNC(=O)c1cc2ccccc2o1)c1ccc(Br)cc1	760477153	DWDZRSWAVDCQMZ-HNNXBMFYSA-N	373.250	4.581	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)ncn3C)cc1	761198983	AJPUWYXYYZDVCC-CLXYIWAZSA-N	358.445	4.632	50	20	FJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)c1ccc2c(c1)OCO2	761385057	KDDXFGXNMZSABG-YCRREMRBSA-N	352.198	4.573	50	20	FJGD	
N#C/C(=C/c1cc(O)ccc1Br)C(=O)c1cccc(Cl)c1	769773514	MGLPLOJSBSABQW-SDQBBNPISA-N	362.610	4.598	50	20	FJGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)Nc1ccc(SC(F)F)cc1	772805696	HWFLCMSBINUHRN-JYRVWZFOSA-N	373.359	4.558	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(Cl)cc3cccnc23)cc1	780805827	CENPNVKVGMOXSO-UHFFFAOYSA-N	353.853	4.943	50	20	FJGD	
COc1cc(/C(C#N)=C\c2ccc(SC(F)F)cc2)ccc1[N+](=O)[O-]	781550227	OZMQZEHBAZCHPT-JYRVWZFOSA-N	362.357	4.982	50	20	FJGD	
CC(C)Oc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c(Cl)c1	781761237	XJNYIKOYJNSUDC-ZROIWOOFSA-N	358.800	4.812	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]cc2-c2ccccc2F)cc1	787509838	INBMSTDCNRWUEQ-UHFFFAOYSA-N	351.425	4.875	50	20	FJGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)sc2c1	794884764	LQQRGORCINUYRT-GDNBJRDFSA-N	371.421	4.643	50	20	FJGD	
CCc1cccc(C)c1NNC(=O)c1sc(-c2ccc(C)o2)nc1C	799759604	TUKVGKBUJPAPGP-UHFFFAOYSA-N	355.463	4.648	50	20	FJGD	
Cc1sc(Br)c(C(=O)NNc2ccc(Cl)cc2)c1C	799842252	ZCMKTLUBSIHQHY-UHFFFAOYSA-N	359.676	4.538	50	20	FJGD	
C[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(-c2cccc(F)c2)no1	808746011	HTVCTJIWKPFAPW-CYBMUJFWSA-N	365.525	4.548	50	20	FJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(C(=O)O)c3)n2)cc1	809154967	KUPLTSFFFJAJOZ-NVNXTCNLSA-N	362.410	4.587	50	20	FJGD	
Cc1csc(Nc2ccc(C(=O)NNc3cccc(Cl)c3)cc2)n1	810021923	SFBRHUGMUMTUTQ-UHFFFAOYSA-N	358.854	4.605	50	20	FJGD	
O=C(CCc1ccc2ccccc2n1)NNc1cc(Cl)ccc1Cl	813494732	YTKNEAQWIHJVFN-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
CCOc1ccc(NNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1	817889167	AHAPGELQICAJJM-UHFFFAOYSA-N	364.232	4.630	50	20	FJGD	
Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccc(Cl)cn2)c1	856093017	OJJMZZPGOZWKRD-UHFFFAOYSA-N	361.898	4.835	50	20	FJGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)c1ccc2c(c1)OCO2	917517312	CRDFBHDCBMLEMH-LZYBPNLTSA-N	359.406	4.934	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)cs2)cc1	917517467	PNSDEKJSTNXOPS-WJDWOHSUSA-N	360.438	4.969	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)c[nH]c2c1	920067741	AFRNFOUZEPDKEG-NTUHNPAUSA-N	365.776	4.828	50	20	FJGD	
CN(N=Cc1sc(Nc2ccccc2)nc1Cl)C(=O)OC(C)(C)C	920381421	QQYXHEUTLYHWGY-UHFFFAOYSA-N	366.874	4.741	50	20	FJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(/C=C\C(=O)O)cc2)cc1	1776697507	HBDIWXGDCWTXBS-WVTPJAOXSA-N	374.440	4.844	50	20	FJGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)c1nc2ccccc2[nH]1	44013481	LVJZETADHGDMAZ-LDADJPATSA-N	352.397	4.601	50	20	FJGD	
CCC(=O)Nc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1	117500835	GOGIINDSPJPOTO-UHFFFAOYSA-N	359.429	4.518	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(Br)c2)c(C)c1	206355858	WZNKNTYBLNWPBM-MLPAPPSSSA-N	361.264	4.673	50	20	FJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)Nc1ccccc1Br	255095352	IAWDAIKRENIDRA-JLHYYAGUSA-N	367.202	4.741	50	20	FJGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)c1c[nH]c2cc(F)ccc12	255504057	APKVPMJKACZOCM-GHXNOFRVSA-N	374.350	4.626	50	20	FJGD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)CC(C)C	726119754	CNUVOTCKWGOWKV-LICLKQGHSA-N	355.869	4.724	50	20	FJGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	727791346	BKIOUUJOHNQEDQ-GFCCVEGCSA-N	359.297	4.751	50	20	FJGD	
C[C@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)c1ccccc1F	729514585	IOABEJQXABPGSR-GFCCVEGCSA-N	357.816	4.664	50	20	FJGD	
CCCCC(CC)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	732923413	ARLGRHRMFXEZKE-UHFFFAOYSA-N	359.495	4.692	50	20	FJGD	
O=C(CCCc1ccccc1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743808001	WKTYGBBZTRWNAH-UHFFFAOYSA-N	373.456	4.529	50	20	FJGD	
Cc1ccc(Br)cc1C(=O)NNc1ccc(Cl)cc1Cl	748018747	IXEWEQCQMSUBJV-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)NCc1ccco1	753888207	XKLWQOBCLFKUML-LGMDPLHJSA-N	360.438	4.654	50	20	FJGD	
Cc1cc(Br)ccc1NNC(=O)CCCSC(C)(C)C	754084561	LFGBFIKWLLHGBM-UHFFFAOYSA-N	359.333	4.513	50	20	FJGD	
O=C(CCc1ccc(Cl)s1)NNc1cc(C(F)(F)F)ccc1F	754154054	SQDOLPXEFHLBOY-UHFFFAOYSA-N	366.767	4.635	50	20	FJGD	
CC(C)n1ncc2cc(/C=C(\C#N)C(=O)C3CCCCC3)c(Cl)nc21	767712104	BPSQMYZWYYRXPB-OVCLIPMQSA-N	356.857	4.722	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC	774559455	SBAYQRSHUDZQBO-BOPFTXTBSA-N	352.390	4.765	50	20	FJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1OC(F)F	777869880	QDYNPJVEUREUNX-NTEUORMPSA-N	352.340	4.868	50	20	FJGD	
CC(=O)Nc1c(C)ccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)c1C	780508800	BXDAMTTXKWVZNJ-UHFFFAOYSA-N	368.481	4.708	50	20	FJGD	
COC(=O)N(C)N=C(C)c1ccc(-c2ccc(Br)cc2)s1	794964107	DZCOVUJGWYVJJY-UHFFFAOYSA-N	367.268	4.600	50	20	FJGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)c1ccoc1	798230086	KRTZAFLWOISKAM-ZROIWOOFSA-N	350.355	4.706	50	20	FJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(O)cc(C(F)(F)F)c2)c1C	811627537	ZNQVRAUZODDXNP-MKMNVTDBSA-N	360.335	4.574	50	20	FJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	834447218	JTAFDONJJOAQKC-OQFOIZHKSA-N	353.237	4.948	50	20	FJGD	
CC(C)[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)c1cccnc1	176340678	SYFCHPPQYVGYCU-IAGOWNOFSA-N	352.569	4.652	50	20	FJGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1	179607941	SAOCFMBTCGYPDU-RVDMUPIBSA-N	367.811	4.619	50	20	FJGD	
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)c1nnc2n1CCCCC2	180203434	DNBSFCSAEWPMFP-XSFVSMFZSA-N	370.456	4.744	50	20	FJGD	
O=C(NNc1ccc(Br)cc1)c1cc2cc(F)ccc2s1	192525676	CVBMWPIXQQPXHZ-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cncc(Br)c2)cc1	588476799	IKJIZVKTMQVGPS-LZYBPNLTSA-N	355.235	4.586	50	20	FJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1)c1ccccc1	588559421	RHKOTRHHAZIBBI-HKBKRHGFSA-N	353.491	4.615	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)c2cnc3ccccc3n2)cc1OC	588580416	HVUIONUIWVPPGJ-ZSOIEALJSA-N	365.820	4.755	50	20	FJGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1OC	732715868	AWCICCWVTGCOKS-HZGBGQKMSA-N	370.493	4.571	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(OC(F)F)c2)cc1	734142290	SCSQIJDFPOLIFJ-GDNBJRDFSA-N	372.371	4.541	50	20	FJGD	
CC(C)Sc1ccc([C@@H](C)NC(=O)NNc2c(F)cccc2F)cc1	735760117	MVVVMXKNOIUYEP-GFCCVEGCSA-N	365.449	4.853	50	20	FJGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)c1ccc2ccccc2n1	743056231	DNVNFMOTBHZKTL-AQTBWJFISA-N	350.381	4.881	50	20	FJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(OCCN3CCCC3)cc2)n1	747441246	ZOMNGCOTNPAXND-QGOAFFKASA-N	367.518	4.805	50	20	FJGD	
O=C(NNc1ccccc1Br)c1cc2ccc(F)cc2s1	748065831	FJHOQRGCCNXCHV-UHFFFAOYSA-N	365.227	4.560	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCSC2(CCCCC2)C1	750856568	JXWOHIPJPQTQSW-OAHLLOKOSA-N	359.626	4.979	50	20	FJGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	764412689	TYZLKRJTADILQM-VQHVLOKHSA-N	353.230	4.609	50	20	FJGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1	777872390	SNAXSYSBVHILPK-SFQUDFHCSA-N	351.377	4.571	50	20	FJGD	
CC1(C)Cc2cc(/C=C(/C#N)C(=O)c3ccc4ncccc4c3)ccc2O1	794883543	BVDUMEBMAQNNMU-ODLFYWEKSA-N	354.409	4.738	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(Cl)ccc3OCC3CC3)nc12	797405898	KWLRWQADNWHLAA-OVCLIPMQSA-N	364.836	4.773	50	20	FJGD	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CC[C@H]3CC)cc2)cc1	807946787	UDYHSKYIYVCMND-QGZVFWFLSA-N	366.461	4.570	50	20	FJGD	
C[C@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(C(F)(F)F)cs1	808754072	ITIJEACRMBTJJZ-JTQLQIEISA-N	354.514	4.834	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)c1cccc(Cl)c1	810218903	XOVDXEVJQBFKPP-ATVHPVEESA-N	361.832	4.932	50	20	FJGD	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	839890207	HGNKZHVJGVPHIF-XQQFMLRXSA-N	371.371	4.577	50	20	FJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1C[C@H]2CC[C@H]1[C@H](O)C2	887959976	NBTKAGDVYWNLKQ-TVYUQYBPSA-N	372.359	4.721	50	20	FJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(F)(F)F)cc2)cc1	921262767	YVGDWSHWDYWBKJ-WJDWOHSUSA-N	374.362	4.736	50	20	FJGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)c1C	1252197005	CBNVQXNYXLWSOH-WJZSJHQNSA-N	373.566	4.555	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nnc(CC3CCCC3)o2)c(C)n1CC(C)C	1325776234	XFSZUJVATHUGJJ-YBFXNURJSA-N	352.482	4.941	50	20	FJGD	
Cn1cc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)c(C(F)F)n1	1346128160	VOHDCODHEVJTIT-UHFFFAOYSA-N	373.564	4.592	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)cc1	1776697774	SBYUTWVLCCAJHI-YDRQLGOLSA-N	366.392	4.583	50	20	FJGD	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1	27121710	QQIMOZKINYLXPR-NTCAYCPXSA-N	374.893	4.518	50	20	FJGD	
CCCN(Cc1ccccc1O)C(=O)CCCC[C@H]1CCSS1	116731774	NEYIUBMYGXCSSY-INIZCTEOSA-N	353.553	4.845	50	20	FJGD	
Cc1ccc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1C	210338924	XIVCVGFEADJRRD-CYVLTUHYSA-N	352.484	4.918	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F	726874980	DSPRJEKVXPDAMS-UHFFFAOYSA-N	365.142	4.556	50	20	FJGD	
CCCOc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	727781404	MRWCQOBMBRUXQW-UHFFFAOYSA-N	351.233	4.546	50	20	FJGD	
COC(=O)c1cc(Cl)cc(NC(=O)CCCC[C@@H]2CCSS2)c1	736257519	SLDXEUGLEMMUPQ-CQSZACIVSA-N	373.927	4.779	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1Br	746395066	VDTXKCBWBZFYMG-MHWRWJLKSA-N	369.262	4.920	50	20	FJGD	
COc1ccc2cc([C@H](C)C(=O)NNc3ccc(Cl)c(F)c3)ccc2c1	746695383	CCLWEKQHUUSGCL-LBPRGKRZSA-N	372.827	4.888	50	20	FJGD	
C[C@H](CC(=O)NNc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1	748769549	KNHGEVUZGJYBKS-CYBMUJFWSA-N	373.378	4.891	50	20	FJGD	
C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753925689	MMXDYHRVYZAEQC-JTQLQIEISA-N	370.347	4.751	50	20	FJGD	
Cc1cc(C)c(NNC(=O)c2cnn(C(C)C)c2-c2ccccc2)c(C)c1	754246465	FFWHVJODWDXETP-UHFFFAOYSA-N	362.477	4.813	50	20	FJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc[nH]3)c2C)cc1	760741528	UZIRTEIUKQNBTN-IZQLPPHKSA-N	372.472	4.515	50	20	FJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)c1ccc(OC(F)F)cc1	776259618	MLRSVYCEYSZCDE-UKTHLTGXSA-N	357.287	4.963	50	20	FJGD	
Cc1cc2occ(C(=O)NNc3ccccc3OC(F)(F)F)c2cc1C	779207087	LTXLZVJFCSAWNJ-UHFFFAOYSA-N	364.323	4.705	50	20	FJGD	
CC(C)(C)CC(=NNC(=O)c1ccc(COc2ccccc2)o1)C1CC1	787152671	KFOVAZANASUAED-UHFFFAOYSA-N	354.450	4.791	50	20	FJGD	
Cc1cccnc1NNC(=O)[C@H](Sc1ccccc1F)c1ccccc1	791216346	QVRSIEGQZOPWIF-GOSISDBHSA-N	367.449	4.506	50	20	FJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccnn3-c3ccc(F)cc3)c[nH]c2c1	794875671	VCAFJTLXVZNCGR-PTNGSMBKSA-N	370.387	4.591	50	20	FJGD	
COC(=O)Nc1cccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)c1C	798030969	IMFMTVYRSOEVLZ-UHFFFAOYSA-N	370.453	4.619	50	20	FJGD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(CCl)c1	799890664	UGEJZDWIHOGXIF-OQLLNIDSSA-N	356.878	4.758	50	20	FJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1C	809145601	BEAFIPTXWLXNQH-OVCLIPMQSA-N	372.327	4.603	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CC[C@@H]2OCC[C@@H]2C1	831673031	ZZTUCIHNPJWJHM-MFKMUULPSA-N	372.359	4.987	50	20	FJGD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	832213198	RKEJEJNJDXYUBY-VXGBXAGGSA-N	367.343	4.820	50	20	FJGD	
O=C(NN=C[C@H]1CC=CCC1)c1ccc(NN=C[C@@H]2CC=CCC2)cc1	915903374	JWWYABOIIVTFPN-MSOLQXFVSA-N	350.466	4.513	50	20	FJGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(Cl)cc2Cl)c1C	916336446	FTYQOWALYGVGLN-CYBMUJFWSA-N	365.260	4.528	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccc(C)o2)C2CC2)c1C	916443588	OYGMAZVEILOUNN-XDHOZWIPSA-N	365.477	4.515	50	20	FJGD	
C[C@H](C=NNC(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1	1117045337	PHEFMZXKFRNYDQ-LLVKDONJSA-N	354.759	4.878	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-c3ccccc3)s2)ccc1Cl	1339537513	VNFWXJOZZDEKIB-UHFFFAOYSA-N	358.850	4.834	50	20	FJGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccccc1Cl	6410803	PZITWBREIBKERZ-WEVVVXLNSA-N	367.655	4.710	50	20	FJGD	
N#C/C(=C/c1csc(COc2ccccc2)n1)c1nc2ccccc2[nH]1	124782197	LXKVYFZGYHGFTK-UVTDQMKNSA-N	358.426	4.663	50	20	FJGD	
C[C@H](C(=O)NNc1nc(C(F)(F)F)cs1)c1ccc2ccccc2c1	152863135	XLONDAIYDRKGPL-JTQLQIEISA-N	365.380	4.562	50	20	FJGD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184418079	FOESSJNMFFWSNX-MFKMUULPSA-N	374.375	4.969	50	20	FJGD	
CN1CCC[C@H](CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	192262554	ZYRKWEIPAUZCSX-LLVKDONJSA-N	373.391	4.807	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c(OC)c1	206972884	ILYODUZSWZVCPV-QPEQYQDCSA-N	366.804	4.628	50	20	FJGD	
O=S1(=O)CCC[C@H](CNc2cccc(S(F)(F)(F)(F)F)c2)C1	285125323	KEJAUEJGQNUDDR-SNVBAGLBSA-N	365.389	4.581	50	20	FJGD	
C[C@@H](Sc1ccc2ccccc2n1)C(=O)C(C#N)=C1Nc2ccccc2N1	728862731	ILMOWUGVODJUSB-CYBMUJFWSA-N	372.453	4.557	50	20	FJGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(Cl)c1	753298727	XYINAHILYKHNPA-VIFPVBQESA-N	368.651	4.765	50	20	FJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)Nc1ccccc1Cl	761391999	JVIWZKUHXAFHFE-YRNVUSSQSA-N	360.175	4.550	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(F)c(C(F)(F)F)c1	763610669	KUZUKHQAZRYMJQ-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(CC(F)(F)F)c1	770048831	NPOMTUFYKXATIF-UHFFFAOYSA-N	366.368	4.550	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1Cc2ccccc2-c2ccccc2C1	776643707	SDLJBVINUBPVPV-DEDYPNTBSA-N	366.420	4.509	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1F	782326893	DTGBPWHJMVFTLH-OQLLNIDSSA-N	351.406	4.807	50	20	FJGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](C(F)(F)F)C3)cc2C1	783510130	VMNKCIHHWJMGCC-ZYHUDNBSSA-N	358.429	4.711	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)NNc2c(C)cccc2C(C)C)cc1	794949410	PTUMAPHNGMVSJA-QGOAFFKASA-N	363.461	4.567	50	20	FJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(Cl)ccc3OCC3CC3)nc12	797405897	KWLRWQADNWHLAA-NVNXTCNLSA-N	364.836	4.773	50	20	FJGD	
ClCCCOc1ccc(CN[C@H]2CCOc3c(Cl)cccc32)cc1	811475369	KKWGKVFODMYENM-SFHVURJKSA-N	366.288	4.961	50	20	FJGD	
CC(C)n1ncc2cc(CN3CC[C@H](O[Si](C)(C)C(C)(C)C)C3)cnc21	852523056	USHVAWPEALPYHU-SFHVURJKSA-N	374.605	4.608	50	20	FJGD	
C[C@@H](Sc1ncccc1Cl)C(=O)/C(C#N)=C1/Nc2ccccc2S1	913608940	MGKKRKZTVJDATQ-QTFVRGKZSA-N	373.890	4.738	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1OC(F)F	915851706	RWAHPGPBEGAVCA-JYRVWZFOSA-N	368.339	4.568	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC(C)C)c2)cc1	918631093	MQCJIEPECNEQOR-PDGQHHTCSA-N	364.445	4.666	50	20	FJGD	
Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)c3ccccc3)cs2)cc1	920063137	ZLTOAYHIDKMUAQ-GZTJUZNOSA-N	360.438	4.820	50	20	FJGD	
COc1ccc(C)cc1CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	20898888	OYZFGPGLXNPFPY-UHFFFAOYSA-N	373.667	4.650	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1	46333896	URFWCGGSXIYFRV-LDADJPATSA-N	373.412	4.594	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3[nH]ccc23)c(C)n1CC(C)C	726946554	BIOBLZSSHKETDI-WOJGMQOQSA-N	360.461	4.788	50	20	FJGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Nc1ccc(F)cc1	752879482	VJMGHCRSDJRNEI-VAWYXSNFSA-N	359.788	4.605	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)c1C	760210320	IWJOUHVMEKWBCV-YBEGLDIGSA-N	351.475	4.805	50	20	FJGD	
N#C/C(=C/c1cc(F)ccc1Br)C(=O)c1c[nH]c2ccccc12	761176113	ISBBHMCBGNEDST-GHXNOFRVSA-N	369.193	4.859	50	20	FJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(Cl)nc1Cl)c1ccccc1	761485155	FBHWRKOBZXQAQV-BAAYTWLHSA-N	360.244	4.563	50	20	FJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc([N+](=O)[O-])[nH]1	762721534	AXMQIIGLMSNOKC-UHFFFAOYSA-N	357.260	4.833	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccc(C(F)(F)F)cn1	768484942	USVBRRRBRDIORF-ZDUSSCGKSA-N	365.442	4.858	50	20	FJGD	
CC(C)c1nc2cc(NC(=O)NNc3ccc4ccccc4n3)ccc2o1	775626605	XYQSHSLGRVEWLX-UHFFFAOYSA-N	361.405	4.648	50	20	FJGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)c1ccccc1OC(F)F	775639401	OJYRDBQWWAUJOG-XFFZJAGNSA-N	351.711	4.870	50	20	FJGD	
N#C/C(=C/c1cc(Cl)ccc1OC1CCCC1)C(=O)[C@H]1CCCOC1	794884066	NQNBFKXJOPDVFM-FBKCMUNRSA-N	359.853	4.564	50	20	FJGD	
O=P(CCN(CC1CCC1)CC1CC1)(c1ccccc1)c1ccccc1	796573328	CEQYYPQSRGPTNF-UHFFFAOYSA-N	367.473	4.513	50	20	FJGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2cccnc2Cl)c1	799839321	UGJCBTBJXGIFIB-UHFFFAOYSA-N	353.809	4.593	50	20	FJGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1	838343804	ZRVDEQIXXCFCJG-IUCAKERBSA-N	355.187	4.805	50	20	FJGD	
CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-]	916132309	YCUHSSURIIEILW-YBEGLDIGSA-N	360.373	4.832	50	20	FJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cncc2ccccc12	917526431	DUPDMSBAUSUBFB-UHFFFAOYSA-N	366.635	4.952	50	20	FJGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)c(Cl)c2)c1	920158212	BSCLXGMNRZTBTF-AZZDOICSSA-N	359.784	4.699	50	20	FJGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	921262075	NSDRPNBVYJYQLW-MHWRWJLKSA-N	354.837	4.981	50	20	FJGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1	921262101	PSFNSUJKPNISTO-OQLLNIDSSA-N	369.490	4.773	50	20	FJGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1	27165661	NAFWMUXWTHAECM-VUODPORTSA-N	366.486	4.592	50	20	FJGD	
N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	51075616	YKUWVLSQVPCNKU-VBKFSLOCSA-N	373.416	4.526	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OC(C)C	59133407	CESXJWYENIGGBW-WQRHYEAKSA-N	364.445	4.645	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccsc2)cc1OC	193346929	CYWJHAKSQXRQBE-VGOFMYFVSA-N	361.850	4.989	50	20	FJGD	
O=C(CCCC[C@@H]1CCSS1)NCCSCc1ccccc1F	302708104	IRCKJKXRKANFKR-OAHLLOKOSA-N	373.584	4.889	50	20	FJGD	
CCn1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c2ccccc21	727779373	ZNBJPXMAZREEFV-UHFFFAOYSA-N	360.244	4.732	50	20	FJGD	
O=C(NNc1ccc(F)cc1)c1nc(-c2ccccc2)oc1-c1ccccc1	731340881	NXUUDWMRRJFZQW-UHFFFAOYSA-N	373.387	4.905	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(COc3cccc(F)c3)c2)c1	748418062	XGYIRAZSXIEQKB-UHFFFAOYSA-N	364.420	4.778	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Sc2nc3ccccc3s2)c1	763091425	IYJYZHMAFWWZBK-ZDUSSCGKSA-N	357.504	4.537	50	20	FJGD	
Cc1ccc2oc(C(=O)NNc3c(Cl)cc(F)cc3Cl)cc2c1	767406913	KTCPPVDTUFWUOH-UHFFFAOYSA-N	353.180	4.944	50	20	FJGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1ccc2ccccc2n1	777461770	UENVSOGZGATTDT-LBPRGKRZSA-N	357.866	4.512	50	20	FJGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1OCC	783686861	AZIKJPOMJRRDPA-UVTDQMKNSA-N	371.845	4.602	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(OCCC(C)C)cc2)ccc1Cl	790178515	ZMEWEBCVLUHLPG-UHFFFAOYSA-N	362.857	4.530	50	20	FJGD	
N#C/C(=C\c1cccc(Br)c1)C(=O)c1ccc2ncccc2c1	794884877	NKWWNDUWYVNUPS-CXUHLZMHSA-N	363.214	4.787	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(F)n3)c3ccccc3n2)cc1	804771747	MFJAREOSVWWCJT-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
CCC1(C)CN(C(=O)C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)C1	813024056	FSQNQJQQRCBLBL-UHFFFAOYSA-N	372.359	4.541	50	20	FJGD	
CON(C(=O)CCCC[C@H]1CCSS1)[C@H](C)c1csc(C)n1	833750458	PJPSQXYQTFNKDG-YPMHNXCESA-N	360.570	4.617	50	20	FJGD	
Cc1ccc(NNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c(Cl)c1	836936217	HOTPUXLGGFKERD-UHFFFAOYSA-N	373.884	4.698	50	20	FJGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	921189362	BMZUXSGDPZRDMP-OVCLIPMQSA-N	356.208	4.795	50	20	FJGD	
COc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)ccc1F	1319468150	OMURZRWERXGUKW-XFFZJAGNSA-N	350.176	4.931	50	20	FJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776708328	WBSVBVWGUNLCCN-MTJSOVHGSA-N	361.441	4.893	50	20	FJGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1	1787662687	LTBIPKWDUVTYHZ-QGZVFWFLSA-N	364.917	4.574	50	20	FJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)c(C)c1	6209705	MNFMBZUKJHADGF-MHWRWJLKSA-N	356.372	4.759	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1	58822760	RTCQFWKMRUERRB-KAMYIIQDSA-N	361.313	4.827	50	20	FJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl	214129526	PZBWCCIHHFZQQQ-UXBLZVDNSA-N	367.619	4.898	50	20	FJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1	728785699	KFVQWLITBTXADM-MHWRWJLKSA-N	352.397	4.656	50	20	FJGD	
Cc1cc(CNC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)no1	752975013	DESMOMAZONYLDL-UHFFFAOYSA-N	357.304	4.962	50	20	FJGD	
CSc1cc(Br)ccc1/C=C(\C#N)C(=O)c1ccccc1	755030275	AAMFOVXBOOLWHJ-NTEUORMPSA-N	358.260	4.961	50	20	FJGD	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)CCCC[C@@H]1CCSS1	755477309	ZGXUKVHXYYLUHC-MSOLQXFVSA-N	367.580	4.591	50	20	FJGD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	773324959	FQZZSUWSLCQTJO-ZJUUUORDSA-N	372.359	4.539	50	20	FJGD	
C=CCSc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccc1F	777173889	FASCHGUUMULUCK-UHFFFAOYSA-N	370.371	4.880	50	20	FJGD	
O=C(Cc1coc2cc(F)ccc12)NNc1cc(Cl)cc(Cl)c1	791733488	UVAKUGOHWGJQKQ-UHFFFAOYSA-N	353.180	4.565	50	20	FJGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	794873738	BDIZSUQFEKJRSS-UVTDQMKNSA-N	365.795	4.763	50	20	FJGD	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1OC	812245380	RARZTNFJCTUFNY-NTUHNPAUSA-N	373.796	4.505	50	20	FJGD	
CCCCSc1ccc(Cl)cc1C(=O)NNc1ncc(F)cc1F	837209144	VWGHLXYLRCBELT-UHFFFAOYSA-N	371.840	4.662	50	20	FJGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)Cc3ccoc3)c2C)c1	918666115	VAGYKODLRZUDDD-CIAFOILYSA-N	373.456	4.561	50	20	FJGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)c1	921262099	PSFNSUJKPNISTO-DHDCSXOGSA-N	369.490	4.773	50	20	FJGD	
N#C/C(=C/c1ncc(-c2ccccc2)[nH]1)C(=O)c1cccc(C(F)(F)F)c1	1116826358	HANZXXCAZBBTOR-GDNBJRDFSA-N	367.330	4.885	50	20	FJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccccc2OC(F)F)c1C	7208700	TXOLJZHGRUGHPK-LFIBNONCSA-N	356.372	4.682	50	20	FJGD	
Cc1cccc(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1	74351471	ZYZJMMNJJQVOEB-UHFFFAOYSA-N	368.868	4.714	50	20	FJGD	
N#C/C(=C/c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	213156786	JHNOGZSPEFLRHO-QPEQYQDCSA-N	372.660	4.985	50	20	FJGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cnn(C(C)C)c1	741765874	LYRBKFSNINOGAC-UHFFFAOYSA-N	361.449	4.677	50	20	FJGD	
CCCCCOc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	748637766	ASRFKXKTCLBKET-UHFFFAOYSA-N	364.392	4.614	50	20	FJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)c1ccc2c(c1)OCO2	761175749	DCHKFTKKGALVAE-GHXNOFRVSA-N	351.745	4.605	50	20	FJGD	
CCCCOc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	761598792	CFVYJWWNCIXTSH-UHFFFAOYSA-N	368.355	4.521	50	20	FJGD	
Cc1ccc(F)c(NNC(=O)c2cc3ccccc3cc2OC(F)F)c1	762003682	PWSWLILUKNEHLT-UHFFFAOYSA-N	360.335	4.646	50	20	FJGD	
COC(=O)c1oc([C@H](C)OC(=O)CCCC[C@H]2CCSS2)cc1C	767268525	PCEUWRMUYBDWJI-STQMWFEESA-N	372.508	4.693	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(Cl)cc1C(F)(F)F	771422227	MTRLARSTASNETH-UHFFFAOYSA-N	368.664	4.533	50	20	FJGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)c(F)c1	784442579	LRDJMVVFQWFUML-UHFFFAOYSA-N	367.129	4.908	50	20	FJGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1	787153519	FAIWSTXYVLAVHO-ZHTGWBIJSA-N	356.425	4.633	50	20	FJGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CCc2ccco2)c1C	843314599	JUNKVNSSIBXIMY-IEOAWGNMSA-N	367.493	4.543	50	20	FJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc([C@H]2CCCN(C)C2)c1	857262356	HUMVYDORIJMOKX-FQEVSTJZSA-N	365.521	4.685	50	20	FJGD	
CC(C)c1cnc(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)[nH]1	863365406	FFGZRRQPLCHAHD-GBTTUNCCSA-N	370.503	4.536	50	20	FJGD	
CCCCn1nc(C)c(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1Cl	916132124	VOAOSPJUCUPGFJ-PTNGSMBKSA-N	367.840	4.759	50	20	FJGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)c1cccc(F)c1	917207755	HRTSWLDFOBBHED-UHFFFAOYSA-N	367.404	4.666	50	20	FJGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1Oc1ccccc1	7158832	LOPWFJSINSWWIL-SAPNQHFASA-N	356.381	4.730	50	20	FJGD	
CCCOc1c(Cl)cc(C(=O)NNc2cccc(C)c2)cc1OCC	72514306	UFJWYEJSCQSIJD-UHFFFAOYSA-N	362.857	4.593	50	20	FJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1OC(C)C	194536927	MBCPGGGAFPQWDD-GIDUJCDVSA-N	357.356	4.550	50	20	FJGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)s2)cc1	213521961	LJQYJICGJTXXIS-SSZFMOIBSA-N	360.438	4.969	50	20	FJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(OCCCC#N)c1	255313079	LMWODKYYCKMAAO-AQTBWJFISA-N	369.424	4.949	50	20	FJGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc2cc(F)ccc2s1	730151806	YFMKKOBYJFTURL-WIMOKQHYSA-N	351.362	4.964	50	20	FJGD	
Cc1cc(NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br	734252899	DUKSPMIKMJOJQD-UHFFFAOYSA-N	374.065	4.821	50	20	FJGD	
CC(CC1CCC1)=NNC(=O)c1cccc(NN=C(C)CC2CCC2)c1	758361425	KNPZYZNZXROFOC-UHFFFAOYSA-N	354.498	4.961	50	20	FJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)Nc1ccc(Cl)cc1	761375300	HIZMFBLZMVUZFA-XFFZJAGNSA-N	360.175	4.550	50	20	FJGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)c1ccccc1OC(F)F	761478436	HADAOVNNXGYKRL-YFHOEESVSA-N	369.154	4.780	50	20	FJGD	
CCCCn1nnnc1CNc1cccc(S(F)(F)(F)(F)F)c1	762531227	PLQNGMFXJMUXPH-UHFFFAOYSA-N	357.352	4.743	50	20	FJGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1OC(F)F	764890873	DPXGIPYMKBGQLP-LFIBNONCSA-N	357.356	4.785	50	20	FJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)c1ccc(F)c(C(F)(F)F)c1	773143888	GCMDOCJOVFRDGM-UXBLZVDNSA-N	355.237	4.913	50	20	FJGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)cs1	777870014	AESSVSLUEZMNCW-ZSOIEALJSA-N	351.362	4.922	50	20	FJGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(SC(F)F)cc2)cc1	781548936	KBRRMPQVYBYFAJ-YBEGLDIGSA-N	358.413	4.533	50	20	FJGD	
O=S(=O)(CCCCCl)Nc1cccc(CSC2CCCC2)c1	788060193	VPZMXIUFNABZOB-UHFFFAOYSA-N	361.960	4.623	50	20	FJGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(C2CC2)cnc1Cl	793712218	RXQWXJUIEJRGQH-UHFFFAOYSA-N	356.640	4.676	50	20	FJGD	
Cc1csc(/C(C#N)=C/c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1	794687382	SXBMUJHDTKODDG-AWNIVKPZSA-N	360.364	4.720	50	20	FJGD	
ClCCCOc1ccc(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1	811475441	FOFHKLYVYMVJPR-RBBKRZOGSA-N	373.924	4.952	50	20	FJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(O)cc(C(F)(F)F)c1	811626964	RKGUFKQHFDCHLL-NSIKDUERSA-N	360.335	4.574	50	20	FJGD	
COc1ccc(C(=O)/C=C\c2ccc(OCCCCl)cc2)cc1OC	811685170	KUSFDNPECWSLJX-POHAHGRESA-N	360.837	4.608	50	20	FJGD	
Cc1cccc2sc(C(=O)NNc3ccc(F)cc3F)c(Cl)c12	874099837	BITZHEWINLXTSR-UHFFFAOYSA-N	352.793	4.898	50	20	FJGD	
CCCCN(C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)[C@@H](C)CC	914612281	ZAEBLMYXCWULJY-YMPZHDRCSA-N	373.541	4.647	50	20	FJGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)c3sccc3C)cs2)cc1	915989717	GJTQDKOAGUOWLE-NTEUORMPSA-N	366.467	4.979	50	20	FJGD	
COc1ccc(C(=O)O)cc1/C=C(\C#N)c1nc2cc(Cl)ccc2s1	1777354446	WRPNBDLSJOWLTH-KPKJPENVSA-N	370.817	4.721	50	20	FJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(C2CC2)nc2ccccc12	81804345	KLTPXALSNVLPAO-UHFFFAOYSA-N	355.800	4.662	50	20	FJGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)c3ccc(C)cc3)cs2)c1	154296677	DTYQZRKIGFMXEK-YVLHZVERSA-N	360.438	4.917	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	207895734	GCMFDXKBDSIUFK-ATVHPVEESA-N	366.424	4.760	50	20	FJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1nnc2n1CCCCC2	209997345	OVMVQVIEEHDINR-QINSGFPZSA-N	364.836	4.982	50	20	FJGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)C(=O)c1cccc(F)c1	588598286	OIXIMKJRLWFMOB-XDHOZWIPSA-N	358.372	4.590	50	20	FJGD	
CCn1cc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cn1	732528883	CNLQGWSGAZGHFE-RGVLZGJSSA-N	372.472	4.717	50	20	FJGD	
CCCCCC[C@H](C)CC(=O)NNc1nc(-c2ccccn2)nc(C)c1C	734256251	SICUUWDMPJSEGX-HNNXBMFYSA-N	369.513	4.595	50	20	FJGD	
CCOc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc(Cl)c1O	735619709	POBSQEOIAFBHPA-NTUHNPAUSA-N	353.809	4.693	50	20	FJGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OC	749449972	BAVYRJXMIMVYMQ-YAJBTMAUSA-N	364.445	4.727	50	20	FJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccn2)cc1	752387896	VFXIAOYKAOJCES-DTQAZKPQSA-N	359.360	4.559	50	20	FJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1	753373832	OHHDHYWSIYPZOO-JJBLJPBOSA-N	373.412	4.565	50	20	FJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3nc(Cl)cs3)n2)cc1	759076167	LTSYHFHTRZLZQN-WDZFZDKYSA-N	359.863	4.993	50	20	FJGD	
Cc1ccc(-c2cc(C(=O)NNc3c(Cl)cccc3Cl)on2)cc1	763609392	QTQHDEAQTPXYNI-UHFFFAOYSA-N	362.216	4.714	50	20	FJGD	
Oc1nc([C@H]2CC[C@@H](Br)C2)nc2sc3c(c12)CCCCC3	765983822	YKQMGMNBEIVBLU-VHSXEESVSA-N	367.312	4.697	50	20	FJGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccc(F)cc2F)C1	767083700	DJGHVZUWDUUNGH-GDBMZVCRSA-N	354.441	4.564	50	20	FJGD	
Cc1nc(-c2ccc([C@H](C)NC[C@H](C)CBr)cc2)cs1	770664981	AVCVBLXZVPAHML-NEPJUHHUSA-N	353.329	4.800	50	20	FJGD	
Cc1ccc(-c2ncc(C(=O)NNc3c(C)cccc3F)s2)c(C)c1	771693212	YRRCAMAHQJSJGB-UHFFFAOYSA-N	355.438	4.631	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2ccc(F)cc2)cc1F	771706325	HETNGMDEMZXZMR-UHFFFAOYSA-N	356.347	4.836	50	20	FJGD	
COc1ccc(-c2ccc(C(=O)NNc3c(C)cccc3F)c(F)c2)cc1	771707135	KESCLGFYJXJSIM-UHFFFAOYSA-N	368.383	4.706	50	20	FJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cnc1Cl	780529426	XPQBVXRNMWLEEU-AWNIVKPZSA-N	350.727	4.852	50	20	FJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])s2)cc1	782178728	IBCWZWWXNBHVLX-HLVNSREUSA-N	355.419	4.715	50	20	FJGD	
CC(C)Sc1cccc(Cl)c1/C=C(/C#N)C(=O)Nc1nccs1	782306656	UPQSTBJJNYJWHS-FLIBITNWSA-N	363.895	4.843	50	20	FJGD	
COc1cccc([C@H](C)CCCC(=O)NNc2ccc(F)c(F)c2F)c1	789996740	YENVRJRYPKBJJE-GFCCVEGCSA-N	366.383	4.530	50	20	FJGD	
C=C(CBr)CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F	791541622	URJPIEFHJXPLRM-LLVKDONJSA-N	360.576	4.623	50	20	FJGD	
CC[C@H](C(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1	791718331	XIUDVMMHAQZSLB-INIZCTEOSA-N	353.249	4.639	50	20	FJGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNc1c(C)cccc1F	797655098	OGBCCTNOACTEFR-UHFFFAOYSA-N	350.397	4.653	50	20	FJGD	
C[C@H](C[S@](C)=O)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	893554739	AGMNOQUSYIXFQT-SBKAZYGRSA-N	351.406	4.543	50	20	FJGD	
O=C(NN=Cc1c(OC(F)F)ccc2ccccc12)c1cccc(Cl)c1	916278993	IHYYFMTZEWROMD-UHFFFAOYSA-N	374.774	4.859	50	20	FJGD	
COc1cc(C(=O)NN=C(C)CCc2ccc(C)cc2)ccc1OC(C)C	920366026	FKYVSHWSKZGEIX-UHFFFAOYSA-N	368.477	4.529	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(OC)c(C(=O)O)c2)CC1	1776779154	ZBXZDHAAIQOMGG-LDADJPATSA-N	369.461	4.866	50	20	FJGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc3ccccc3n2)c1C	7202519	NGBKHJUKXOERTF-DEDYPNTBSA-N	373.456	4.714	50	20	FJGD	
CC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	7608381	JWHPKZZHSQPHMU-RGVLZGJSSA-N	363.461	4.509	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1)c1ccccc1	96316168	NORTWPDQDHZPOH-BRFSQIRFSA-N	359.454	4.594	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1	159114376	XDEFRYIBFVANDL-UHFFFAOYSA-N	365.477	4.579	50	20	FJGD	
CC(=O)c1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	174367391	JNELMPPKDKQMMY-UHFFFAOYSA-N	357.624	4.606	50	20	FJGD	
Cc1cccc(NNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1	175219539	JCKQILUXARNMSE-UHFFFAOYSA-N	359.454	4.775	50	20	FJGD	
O=C1CC[C@@H]2CN(C(=O)CCCC[C@@H]3CCSS3)c3cccc1c32	183829837	GBEJHDANJZSUFY-ZIAGYGMSSA-N	361.532	4.807	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1	208102156	YMJJQZCTSDHQEF-UNOMPAQXSA-N	367.401	4.733	50	20	FJGD	
CN1/C(=C/C=C(\C#N)c2nc3ccccc3n2C)C(C)(C)c2ccccc21	212145733	BYIJOLYCJSALMG-PDHZICCSSA-N	354.457	4.792	50	20	FJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(Br)c2)c(C)c1	213115979	RVIDMTKWVQIXNK-ZSOIEALJSA-N	373.225	4.751	50	20	FJGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1OC	588597229	DRJQNRXFBGURDM-AUWJEWJLSA-N	359.784	4.676	50	20	FJGD	
Cc1c(NNC(=O)N[C@@H](C)c2csc3ccccc23)cccc1[N+](=O)[O-]	730069369	XSBVANQRVHBUAF-LBPRGKRZSA-N	370.434	4.505	50	20	FJGD	
COc1ccc(/C=C(/C#N)C(=O)OCCc2ccc3ccccc3c2)cc1	733859928	YPHIWBZFYPSUKZ-QNGOZBTKSA-N	357.409	4.541	50	20	FJGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccnc2C)c1C	744773283	AGNQWUXXCGPLKW-MOSHPQCFSA-N	370.456	4.652	50	20	FJGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)ccc1SC	746342453	UUAUNBMOYXNJAJ-YBEGLDIGSA-N	363.442	4.840	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(COc2cccc(F)c2)c1	748572081	VITYJSZDKJIRJQ-UHFFFAOYSA-N	368.383	4.609	50	20	FJGD	
COc1coc(CNc2cccc(S(F)(F)(F)(F)F)c2)cc1=O	762532240	ZNJCWIDTXAAZPA-UHFFFAOYSA-N	357.300	4.918	50	20	FJGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(COC2CCCC2)cc1	771156940	CFXUTJWJAGZFRT-UHFFFAOYSA-N	357.429	4.742	50	20	FJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)c1nc(-c2ccccc2)no1	779799114	QYYQQGJAXDHODK-PTNGSMBKSA-N	351.793	4.853	50	20	FJGD	
Cc1cccnc1NNC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12	791216672	BTNMAKPDWUJCKH-UHFFFAOYSA-N	372.403	4.501	50	20	FJGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	794930955	HWYIGSPLGCEICS-NVNXTCNLSA-N	368.820	4.509	50	20	FJGD	
Cc1cc(OC(F)F)c(C(=O)NNc2c(C)cccc2C(C)C)s1	812768321	OLTIIDXHSZUGPD-UHFFFAOYSA-N	354.422	4.847	50	20	FJGD	
CC(C)(NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1[N+](=O)[O-]	817038162	KWFDIXDESUEROE-CYBMUJFWSA-N	368.524	4.660	50	20	FJGD	
CC(C)[C@H](CNC(=O)CCCC[C@H]1CCSS1)Nc1ccccc1	899868251	NFBVQXNUBCDSLL-ROUUACIJSA-N	366.596	4.953	50	20	FJGD	
C[C@H](CBr)CN1CCC[C@H](c2nc3ccccc3s2)C1	1320645406	QCDZUGSCWTUMME-OLZOCXBDSA-N	353.329	4.507	50	20	FJGD	
CCCC(=O)Nc1cccc(NC(=O)NNc2ccccc2Cl)c1C	92598909	VUBRXGDIKGSKHD-UHFFFAOYSA-N	360.845	4.536	50	20	FJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F	102713988	CTBGRAFVATYUOC-YHYXMXQVSA-N	370.252	4.668	50	20	FJGD	
O=C(NNc1c(F)cccc1F)c1occc1CSc1ccccc1	118515974	YEJQMCQYLVPPTO-UHFFFAOYSA-N	360.385	4.607	50	20	FJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCCO3)c1C	727654396	DPIRFHUIFXTICK-OVCLIPMQSA-N	353.805	4.518	50	20	FJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cnc3c(c2)c(C)nn3C)CC1	741468711	HHGOJVKBMYGPCG-ODLFYWEKSA-N	364.493	4.749	50	20	FJGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccc(Cl)c(F)c3)o2)cc1	746698708	MSRPBPMZBGWRPK-UHFFFAOYSA-N	372.783	4.699	50	20	FJGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1SCc1ccco1	748562380	MFWHWMXJJKDQSQ-UHFFFAOYSA-N	356.422	4.776	50	20	FJGD	
Cc1ccc(NNC(=O)Cc2cccc(OCc3ccccc3C)c2)cc1	749202212	NNSZJCLJANXMBM-UHFFFAOYSA-N	360.457	4.568	50	20	FJGD	
C[C@@H]1COCCCN1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978187	KIHWJWSBGYNUQE-SNVBAGLBSA-N	360.348	4.987	50	20	FJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)c1cccc(F)n1	753643718	MNLMQYVWZXVARK-CYBMUJFWSA-N	364.751	4.692	50	20	FJGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1)c1ccccc1	755405421	ZIOSCDQRDJWKFR-DGGAMASNSA-N	362.326	4.629	50	20	FJGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(F)c(Cl)c2Cl)cc1	761474939	BLALONCSBRETPK-JYRVWZFOSA-N	370.232	4.779	50	20	FJGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@H]1C	767362504	SYBKOWSQDYVFRQ-JKSUJKDBSA-N	372.472	4.839	50	20	FJGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(F)c(Cl)cc1F	767407691	XNSFDLBVTJVYQP-UHFFFAOYSA-N	369.557	4.821	50	20	FJGD	
CCC[C@]1(C)NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771861068	NJTVNXFZJXZPMA-ZDUSSCGKSA-N	358.332	4.959	50	20	FJGD	
C[C@@H](CC(=O)NNc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1	772817621	HKGQZJQVKXDHGR-GFCCVEGCSA-N	368.811	4.653	50	20	FJGD	
CSc1cc(/C(C#N)=C/c2cc(C(F)(F)F)ccc2Cl)ncn1	773170832	DZVJNUOKAPSFBJ-ONNFQVAWSA-N	355.772	4.935	50	20	FJGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccnc1-c1ccccc1	775692314	IZQRCOQZACZYDP-UHFFFAOYSA-N	374.231	4.599	50	20	FJGD	
CC[C@]1(O)CCN(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)C1	779452552	OOOPLOJWWBCLQF-ZDUSSCGKSA-N	360.348	4.723	50	20	FJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(CN3CCCCC3)cc2)cc1	780804524	FOFLBEOCRZLOBR-UHFFFAOYSA-N	365.521	4.727	50	20	FJGD	
O=C(NNc1ccccc1Cl)c1cc2ccccc2n1CC(F)(F)F	787455479	OEEJHOMRZOGXLD-UHFFFAOYSA-N	367.758	4.614	50	20	FJGD	
O=C(CCc1cncc2ccccc12)NNc1cc(Cl)cc(Cl)c1	791730339	VTPRGKSSHFFHTH-UHFFFAOYSA-N	360.244	4.618	50	20	FJGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1F	794875811	WGRBFMJGWAJSHE-FMIVXFBMSA-N	369.758	4.594	50	20	FJGD	
Cc1ccccc1C(=O)NN=CC(c1ccc(F)cc1)c1ccc(F)cc1	799873269	ODAMBIRWTPRWJM-UHFFFAOYSA-N	364.395	4.821	50	20	FJGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(C)cc(Cl)n2)c1C	805964484	PVKPWRNHBMXIIR-YVLHZVERSA-N	371.868	4.522	50	20	FJGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(O)c2ccccc2c1	809997838	GKJHSWZZUXSVHG-UHFFFAOYSA-N	363.804	4.504	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(N2CCCC2)cc1	915082472	LJOIUWPIFCNWTG-SFHVURJKSA-N	364.580	4.617	50	20	FJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F	915983972	KBKSRXSINGMXKN-XLFIVMGGSA-N	368.811	4.543	50	20	FJGD	
CC(C)c1ccc(CCC(=O)NNc2ccc(Br)cc2)cc1	918319904	IUKMQFSKHWHJRQ-UHFFFAOYSA-N	361.283	4.648	50	20	FJGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cnc(-c3ccccc3)s2)cc1	1322579345	MXUFHVYFTKXCSD-WOJGMQOQSA-N	360.438	4.769	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc2c(c1)oc1ccccc12	1326705229	NYUDXSCZKCOPQF-UHFFFAOYSA-N	356.303	4.760	50	20	FJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2c(F)cc(C(=O)O)cc2F)cc1	1776271658	RPDTXZAXVWFTLU-ZSOIEALJSA-N	369.367	4.750	50	20	FJGD	
Cc1csc([C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C2CC2)n1	181609210	KZMAPFJRIGLGEC-INIZCTEOSA-N	358.511	4.526	50	20	FJGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)c1ccc(C)s1	186861010	XBPKCPRTSIEVGD-LDADJPATSA-N	360.438	4.917	50	20	FJGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	212130533	DDQXAOAYAZOSTM-KAMYIIQDSA-N	360.335	4.650	50	20	FJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	212139900	VCPPSBLIZSQNKE-VBKFSLOCSA-N	374.352	4.653	50	20	FJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1c(Cl)cccc1Cl	255365747	HEKQWQUTWXXKEB-YFHOEESVSA-N	352.608	4.587	50	20	FJGD	
COC1CCN(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	277436061	NUYSOARWXHKNOY-UHFFFAOYSA-N	360.348	4.987	50	20	FJGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)c1c[nH]c2ccccc12	727250073	GLDOUQXDPSPVCN-UHFFFAOYSA-N	365.742	4.604	50	20	FJGD	
O=C(CCCc1ccccc1)NNc1ccc(Br)cc1Cl	729277254	XDUMBRPAQBIWDA-UHFFFAOYSA-N	367.674	4.569	50	20	FJGD	
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(F)cc1F	729280873	UNHOZAONGHBTMV-UHFFFAOYSA-N	374.412	4.849	50	20	FJGD	
O=C(NNC(=S)Nc1ccc2ccccc2c1)Nc1ccc(Cl)cc1	734380520	GXJIHECCOAMHSM-UHFFFAOYSA-N	370.865	4.516	50	20	FJGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735616897	MABSXZCJMOCQNZ-SFQUDFHCSA-N	353.429	4.738	50	20	FJGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)c3nc4cccc(C)c4[nH]3)c2C)no1	735669354	IFEZVPWBRFETTH-LICLKQGHSA-N	357.417	4.639	50	20	FJGD	
COc1ccc(CC[C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1	742412051	XFZCZJPFGOPSLE-CRAIPNDOSA-N	367.580	4.847	50	20	FJGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccccc1OCC1CC1	748009264	HGPKFZWNZCSOPT-UHFFFAOYSA-N	351.233	4.539	50	20	FJGD	
Cc1ccc(C)c(NNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c1	748381663	LVEVKANYUHFKPQ-UHFFFAOYSA-N	373.500	4.692	50	20	FJGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)c3cc(Cl)cc(Cl)c3)n12	748998582	RBHATOHZHJNMMK-NTUHNPAUSA-N	356.212	4.739	50	20	FJGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)c(Br)c1	753683997	YQKISXIBYZMYQK-GXDHUFHOSA-N	352.235	4.708	50	20	FJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)c1cccc2c1OCCO2	761387891	ZKBQYXKYYJHLRA-RMKNXTFCSA-N	366.225	4.616	50	20	FJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c2ccccn12	762605106	UHTLPKXIAJRONG-NTEUORMPSA-N	372.403	4.868	50	20	FJGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1C#N	766290792	SVODYGYOSUKVJM-DJKKODMXSA-N	352.422	4.926	50	20	FJGD	
COc1cc(C)c(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1OC	773143328	FBGOAQYKQWTZDL-AUWJEWJLSA-N	359.784	4.595	50	20	FJGD	
C[C@H]1CN(S(=O)(=O)c2cccc(S(F)(F)(F)(F)F)c2)C[C@@H]1C	777984979	OFIMTERSXJODLN-UWVGGRQHSA-N	365.389	4.621	50	20	FJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1c(Cl)cccc1Cl	782305566	JRVYUGUMVPMTEK-POHAHGRESA-N	364.257	4.873	50	20	FJGD	
COc1cc(NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1Cl	790173942	FPPDQSRKIPDWEM-UHFFFAOYSA-N	369.852	4.513	50	20	FJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)Nc1ccccc1Br	794691987	RNGFZMZNOWKBFR-GXDHUFHOSA-N	367.202	4.741	50	20	FJGD	
CC(C)(C)Oc1ccc(CNCc2ccc(OCCCCl)cc2)cn1	798186277	GBGARUTVCOOMHN-UHFFFAOYSA-N	362.901	4.556	50	20	FJGD	
C/C(N)=C(\C#N)c1nc(-c2cc(C)n(Cc3cccs3)c2C)cs1	798227741	SMQVBLQQAZISQX-VBKFSLOCSA-N	354.504	4.552	50	20	FJGD	
CC(=O)CCCCCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378671	JPZYAAYIXHYZBK-UHFFFAOYSA-N	364.795	4.732	50	20	FJGD	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1OCC	920990853	GKJGEZKTYNCCER-ATVHPVEESA-N	361.401	4.598	50	20	FJGD	
O=S(=O)(NC/C=C/C1CC1)c1cccc(S(F)(F)(F)(F)F)c1	1117746006	OHXXYKNBZNUYRK-NSCUHMNNSA-N	363.373	4.589	50	20	FJGD	
CCCCCOc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1	1317848044	SCVIXJVOQDAASQ-SAPNQHFASA-N	358.445	4.845	50	20	FJGD	
N#CC1=CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1	1341461468	UCCDADJRTUKKLA-UHFFFAOYSA-N	373.843	4.851	50	20	FJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)o1	16969027	HLZPIFZDWJZAON-AIDTXJDASA-N	355.463	4.703	50	20	FJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)o1	55040968	KOXQETQZACYCNY-PHUCXXSHSA-N	371.234	4.711	50	20	FJGD	
Cn1c(/C(C#N)=C\c2cnn(Cc3ccccc3Cl)c2)nc2ccccc21	96926553	PWWIDGNLKMKLGK-YVLHZVERSA-N	373.847	4.536	50	20	FJGD	
Cc1cc(C)cc(NNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1	97373672	CDEQTZUYPDVFAX-UHFFFAOYSA-N	371.440	4.511	50	20	FJGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)c1nc(-c2ccncc2)cs1	176391055	WQZYSLZIEJCGMX-NTEUORMPSA-N	373.416	4.798	50	20	FJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)c1ccccc1OC(F)F	183408037	WJNOSVLRMXHQCG-FMIVXFBMSA-N	365.282	4.679	50	20	FJGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	211587708	OMJHSKPHROQTSL-VKAVYKQESA-N	356.381	4.730	50	20	FJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2O)c(C)n1C1CCCCC1	725879638	LONRONBMROIZSR-AQTBWJFISA-N	363.461	4.861	50	20	FJGD	
O=C(NNc1ccc(F)c(F)c1F)c1c[nH]cc1-c1ccc(Cl)s1	728716190	ZDTFRLUHLPSOFB-UHFFFAOYSA-N	371.771	4.571	50	20	FJGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccccc1Nc1ccccc1	740100046	JCOLVPNQDBACIS-UHFFFAOYSA-N	372.350	4.601	50	20	FJGD	
Cc1nc(/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2C)sc1C	741474863	SJXRGIFMJVJYKD-OQLLNIDSSA-N	352.438	4.766	50	20	FJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(Cl)nc3)c(F)c2)cc1C	743815874	BMCYRVPQOQPJFW-UHFFFAOYSA-N	369.827	4.915	50	20	FJGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1coc2ccccc12	746522034	KECJAXIAKLFWRR-JYRVWZFOSA-N	366.804	4.949	50	20	FJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)co2)cc1	749886256	JGKLGHMAPUZBAH-WOJGMQOQSA-N	357.413	4.813	50	20	FJGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)o1	751513186	FFLRVJSBDHBDFA-XNTDXEJSSA-N	364.426	4.952	50	20	FJGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1cc(Cl)ccc1Cl	752809814	ICFKYMWXLJOWPP-UHFFFAOYSA-N	374.271	4.844	50	20	FJGD	
CC(C)OCc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	767403048	UUAPHUIVBWSOMV-UHFFFAOYSA-N	371.239	4.814	50	20	FJGD	
O=C(Cc1cc2ccccc2o1)NNc1c(Cl)cc(F)cc1Cl	768013916	ZPKFXOVTERSTQH-UHFFFAOYSA-N	353.180	4.565	50	20	FJGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797406418	FTUYQBLWMFLHKP-MDWZMJQESA-N	360.866	4.945	50	20	FJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2C)c1C	806554754	ZEUZPDVGBFAAOX-PDGQHHTCSA-N	366.461	4.630	50	20	FJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)Nc1c(C)cccc1C	814187374	HYHRFYDQPIRXNQ-NKDOZWPPSA-N	360.457	4.942	50	20	FJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCOc2c(Cl)cccc21	919827558	OCROGCSFKWUXNZ-WFASDCNBSA-N	371.955	4.994	50	20	FJGD