smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1C	741469965	NPOMPBFINBLONI-HJPCULJESA-N	269.388	4.524	50	20	CJGD	
CC(/C=C(/C#N)c1nc2ccccc2n1C)=C\c1ccccc1	51104348	BWFDMOCLOFPOSC-GXDIDPINSA-N	299.377	4.584	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2ccccc2c1	96315892	ZFKDIOATUUXKDI-LDADJPATSA-N	277.367	4.752	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C\c1csc2ccccc12	255051474	NNWKBAHEGVDCAV-WQLSENKSSA-N	293.347	4.593	50	20	CJGD	
CC(C)CCOc1ccc(/C=C(\C#N)c2ccccn2)cc1	213141755	ISAWVNMSKPMGCV-GHRIWEEISA-N	292.382	4.571	50	20	CJGD	
FS(F)(F)(F)(F)c1cccc(CNC2CC2)c1	921471925	RRSJDRWRMIWXQC-UHFFFAOYSA-N	273.270	4.596	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(C)ccc2C)c1	195593499	IXTWKAZCXVQWOX-ODLFYWEKSA-N	289.378	4.710	50	20	CJGD	
CC(C)=CCCC(C)=NNC(=O)c1ccc2ccccc2c1	749157172	BGJWMRQSZIZLFZ-UHFFFAOYSA-N	294.398	4.692	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccccc3C3CC3)[nH]c12	750818553	WIUYQTFGBSNXLO-LFIBNONCSA-N	299.377	4.813	50	20	CJGD	
N#C/C(=C\c1cccs1)C(=O)c1cc2ccccc2s1	788331004	KQDSRRCHMQMKMG-XYOKQWHBSA-N	295.388	4.753	50	20	CJGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc(F)cc1F	799890772	XULJVQRFLZCTSH-QPJJXVBHSA-N	292.712	4.600	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	6056801	JBVVRGYQXYORAV-RAXLEYEMSA-N	297.329	4.608	50	20	CJGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1ccc2ccccc2c1	748248776	LSQACBFCGNYRFO-CQSZACIVSA-N	296.414	4.772	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	726430653	ZVHICJVKNAAMBA-LUJRCDHRSA-N	289.378	4.876	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(C)c1	735619160	JOWMJTQLMHLDDQ-MHWRWJLKSA-N	287.366	4.552	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	741472621	CHFMQZCELPVDRO-ZCQLHAAUSA-N	299.414	4.634	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1nc2ccccc2[nH]1	767341134	RNQXDABNBNUOOI-UKTHLTGXSA-N	293.757	4.589	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	843264812	KHDNPTPOHGLJHO-YRNVUSSQSA-N	286.425	4.709	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)s1	735618713	FCUTUSKMLATTMQ-XFXZXTDPSA-N	293.395	4.559	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3cscc3Cl)[nH]c12	771839100	SYVFLNQOQFBFLS-BJMVGYQFSA-N	299.786	4.650	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Cl	779708774	YSFNUTUHFJTSSE-UKTHLTGXSA-N	293.757	4.589	50	20	CJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)C1CCCC1	781553137	LPWWCVWDCHWHIM-UKTHLTGXSA-N	281.380	4.568	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	794877248	JMPROBHBDJJQNP-FMIVXFBMSA-N	295.304	4.618	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccccc2F)cc1C	11333981	CNYMALPOINTEDA-MHWRWJLKSA-N	293.341	4.541	50	20	CJGD	
Cc1ccoc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	742349773	KYDQYUQUAPUECV-NTEUORMPSA-N	292.363	4.776	50	20	CJGD	
CCCn1cccc1/C=C(/C#N)c1nc(C(C)C)cs1	747439373	JXTSSULMVQQZRS-LCYFTJDESA-N	285.416	4.542	50	20	CJGD	
CCCc1cccc(/C=C(\C#N)C(=O)c2ccccc2F)c1	773910017	VBKDYRYAZFDCFM-FOWTUZBSSA-N	293.341	4.568	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)[C@H](C)CC	726429300	SHQIXBAYIJRNFO-GMCKNXKJSA-N	281.355	4.517	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	741475302	XSTXOHBMBGITAV-BKLZJWBFSA-N	296.197	4.906	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2s1	758434186	NMDCGGLEVRHTGO-GVIGZQTCSA-N	283.396	4.814	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cc(Cl)cs2)sc1C	782343772	XLIZIKBFSKCVTM-OQFOIZHKSA-N	280.805	4.539	50	20	CJGD	
CC[C@@](C)(CBr)CCCOCc1ccccc1	306708661	KZEPOXBELNCKLS-OAHLLOKOSA-N	299.252	4.795	50	20	CJGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cccc2ccccc12	807972727	VCFXDGXXMLRSRP-CQSZACIVSA-N	296.414	4.772	50	20	CJGD	
CC/C=C\CCOC(=O)CCCC[C@@H]1CCSS1	918509123	QIAXMFGBPLBBIM-DHCBQETCSA-N	288.478	4.600	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2sccc2C)cc1	7208168	UOGKCMUTTNTDNA-LFIBNONCSA-N	295.407	4.799	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1C	213095320	WOFBMBNBVIPLME-YVLHZVERSA-N	293.341	4.541	50	20	CJGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	747440087	OZTCNZCVJRTRRJ-NVNXTCNLSA-N	282.412	4.948	50	20	CJGD	
CC(C)(C)O[C@H](CBr)c1cccc(Cl)c1	50479981	NYLPBEAZHNYEIJ-LLVKDONJSA-N	291.616	4.591	50	20	CJGD	
C[C@@H]1CC(C)(C)C[C@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950035	HVQXXSSSESKGAI-CJNGLKHVSA-N	284.516	4.792	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/C=C\c2ccccc2)n1	747440924	WQTLVVGFJKVKJX-SYFSHSHVSA-N	280.396	4.887	50	20	CJGD	
CCCCCC[C@H](C)O[C@H]1CCC[C@H]1Br	250828736	PEYYWGGZCGGBFA-XQQFMLRXSA-N	277.246	4.678	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	1318142307	RLZQLHXBNYCWHN-PTNGSMBKSA-N	295.407	4.937	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	741467946	BFKUMGVOIIELIK-LFTLCWSBSA-N	295.304	4.618	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	915992316	WYCXCHPDJPWFDF-XFXZXTDPSA-N	299.757	4.732	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc2ccccc2o1	127941725	UKJTVUBPYSXZNQ-LCYFTJDESA-N	293.347	4.593	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1Cl	753683115	NBNKRLNQTDIPON-NJQKBMNKSA-N	282.170	4.516	50	20	CJGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc(C(C)C)cs2)c1	176917270	YQLUJZHXHQPZER-NTUHNPAUSA-N	286.375	4.778	50	20	CJGD	
CC1=C(Br)CC[C@@H]1O[Si](C)(C)C(C)(C)C	195756005	KOLTXIDQOVSSNB-NSHDSACASA-N	291.305	4.840	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	726428588	ANULPJDZMCZXGU-VKRGWIQLSA-N	282.170	4.516	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(F)cc2C)c1	750900350	LCAYLNRMOWYHBS-LICLKQGHSA-N	293.341	4.541	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	8237970	ARAMVVZCJREQND-MHWRWJLKSA-N	279.339	4.501	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2ccccc2s1	758419678	ZWWMBNYEJDXUHG-GXDHUFHOSA-N	283.396	4.814	50	20	CJGD	
CCCCCCCC(C)=NNC(=O)c1ccc(Cl)cc1	916581747	OVPYLZSYDXNUGY-UHFFFAOYSA-N	294.826	4.806	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	726428587	ANULPJDZMCZXGU-NJQKBMNKSA-N	282.170	4.516	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761183025	YFEVOMNQDWOWDK-CSKARUKUSA-N	287.746	4.608	50	20	CJGD	
O=C(/C=C/c1cccc(CCl)c1)c1cccc(F)c1F	799892640	SQGVLCZPHUKVGK-BQYQJAHWSA-N	292.712	4.600	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(CCl)c1	1321190673	UURCJGSWRSWQIV-YBEGLDIGSA-N	295.769	4.524	50	20	CJGD	
C[C@@H]1CCC[C@](CBr)(OCC2CCCC2)C1	85489525	XJLXZUNLBWJURU-OCCSQVGLSA-N	289.257	4.537	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	726119264	WGVRLRDPKIWPES-LCYFTJDESA-N	295.304	4.618	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c(C)c2)c1	729150968	RXSSAPIDZLNSKZ-YVLHZVERSA-N	293.341	4.541	50	20	CJGD	
CC(C)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1	790231016	IKMNROLXJGALFN-BOPFTXTBSA-N	299.377	4.817	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(Cl)c2)n1	255418281	AKPQCJSUVGUXBI-WUXMJOGZSA-N	288.803	4.984	50	20	CJGD	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	915992223	VULWCYMQILNTJQ-GHRIWEEISA-N	299.414	4.778	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2F)cc1	782197199	PDDMXCNRAVHRKV-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)CC(C)(C)C	759034616	JEHVWQMFMDZVIH-UKTHLTGXSA-N	281.355	4.654	50	20	CJGD	
Cc1cc(C)c(CC(C)(C)CBr)c(C)c1	85050341	BVJLIYLGVKTRJV-UHFFFAOYSA-N	269.226	4.575	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1C	747440264	RTNCQSGQCCACDP-OVCLIPMQSA-N	282.412	4.948	50	20	CJGD	
Cc1cc(/C(C#N)=C/c2ccccc2Cl)ccc1[N+](=O)[O-]	774558472	KOAGBTUFSOEDOK-NTEUORMPSA-N	298.729	4.621	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@H]2C)o1	255093917	HTIFMLXZHPEUJC-MYUVLUJPSA-N	297.379	4.563	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(F)cc2F)n1	176916796	OKCHXQCXRNOXDQ-VZUCSPMQSA-N	290.338	4.609	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc4occc4c3)[nH]c12	794690187	HJWAAJSPSBRGKX-GDNBJRDFSA-N	299.333	4.682	50	20	CJGD	
CCCCOc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	72601848	WBJZOJAVZAVJIV-GDNBJRDFSA-N	298.411	4.695	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	866010952	KKDXIFVSPRWBFT-OQLLNIDSSA-N	280.396	4.647	50	20	CJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)C1CCCC1	781552912	GKXSWRXPEVKXKV-SFQUDFHCSA-N	275.351	4.506	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	741475304	XSTXOHBMBGITAV-UVIKPUKZSA-N	296.197	4.906	50	20	CJGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)C1CCCC1	781554246	JUMRYFHUUGKNBZ-GHXNOFRVSA-N	294.181	4.660	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(F)c2)cc1	213630680	UTJYERZONZZZDH-BOPFTXTBSA-N	293.341	4.568	50	20	CJGD	
Clc1cccc(OCCCCCCBr)c1	238610153	FAIGIJGRFHKVIP-UHFFFAOYSA-N	291.616	4.674	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)c(C)o1	767887303	RCCLOBNZGRZGSD-MLPAPPSSSA-N	272.373	4.541	50	20	CJGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	916131309	UHKLNISHYGEFBE-YBEGLDIGSA-N	287.318	4.531	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	726118092	INFNPBRHDUYVBO-VBKFSLOCSA-N	297.398	4.530	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(F)c2)cc1	8321445	UTJYERZONZZZDH-GZTJUZNOSA-N	293.341	4.568	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	211435749	PODCLCSGKSCYAT-BENRWUELSA-N	297.329	4.608	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1C	741469970	NPOMPBFINBLONI-YXHQGMJNSA-N	269.388	4.524	50	20	CJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	749817253	FOYFHVJVZWDDCQ-CYBMUJFWSA-N	298.386	4.509	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	726430655	ZVHICJVKNAAMBA-QLENYVDCSA-N	289.378	4.876	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	741470140	QMVPULYPONODHE-CGYDICSFSA-N	296.197	4.906	50	20	CJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	777872598	XMBLGLFLMAZAPX-VGOFMYFVSA-N	299.732	4.577	50	20	CJGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	915841350	GCZGPIOYRJLKML-LGMDPLHJSA-N	289.378	4.774	50	20	CJGD	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1ccccn1	212108868	MNEAHDFGVIASMP-LGMDPLHJSA-N	298.345	4.938	50	20	CJGD	
BrCC1(OCc2ccccc2)CCCCCC1	103972393	PSNYAHDDZHFRRR-UHFFFAOYSA-N	297.236	4.691	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	753683083	LSGBNLRLOOZJQR-UXBLZVDNSA-N	282.170	4.516	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	753683113	NBNKRLNQTDIPON-CAXXOGMASA-N	282.170	4.516	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc2ccccc12	794875406	UYUFTHPTRCDVLM-VBKFSLOCSA-N	277.367	4.752	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2ccccc2c1	794875437	WCWUTJKINZGWKF-ATVHPVEESA-N	277.367	4.752	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cc(Cl)cc(Cl)c2)n1	48639379	RKHJGLWGPMZYBV-SGAXSIHGSA-N	295.194	4.823	50	20	CJGD	
O=C(NN=C1CCCCCCC1)c1cccc2ccccc12	6342435	KRKDKMXMKDAYQG-UHFFFAOYSA-N	294.398	4.670	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc(C(C)C)cc2)n1	20621045	CCIQRYFWCBQPNG-OVCLIPMQSA-N	268.385	4.639	50	20	CJGD	
CC[C@H]1CCCCC1=NNC(=O)c1ccc2ccccc2c1	779769836	AKLHLBQFMZUQJZ-AWEZNQCLSA-N	294.398	4.526	50	20	CJGD	
CCCCCO[C@H](CBr)c1cccc(C)c1	50481644	YBMRUVXBXFXRHQ-CQSZACIVSA-N	285.225	4.638	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2csc3ccccc23)n1	78351058	XOAQJGGYMNTBMZ-IZZDOVSWSA-N	282.393	4.730	50	20	CJGD	
CCCCCCCO[C@@H]1CCCC[C@H]1Br	109318246	PFLMSXWDJZVKDP-CHWSQXEVSA-N	277.246	4.680	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	221917897	HKKBEUIABGIOCZ-UVTDQMKNSA-N	281.380	4.547	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	741470095	QEUDSOPXDYSRMA-CEXMDJMXSA-N	296.197	4.906	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccccc2Cl)c1C	727654654	HMVMJWYQWCLFBN-XNTDXEJSSA-N	295.769	4.747	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3occc3c2)s1	794691481	PEVDNBFHZURYCM-NTEUORMPSA-N	293.347	4.593	50	20	CJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)CC(C)(C)C)c[nH]c12	918713796	NRBSINBILFBFJT-NTEUORMPSA-N	294.398	4.643	50	20	CJGD	
CCCC[C@H](CC)CO[C@@H]1CCCC[C@H]1Br	251337779	MATJFHBYRWNYMD-BFHYXJOUSA-N	291.273	4.926	50	20	CJGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc(C(C)C)cs1	255437274	PHPVDNZDOBUQDG-QPEQYQDCSA-N	286.375	4.778	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	726118168	JRSCWMRNFJIGAU-XGICHPGQSA-N	296.197	4.906	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	741468306	FBCXTPYXUAEDEQ-KWJWQAOWSA-N	295.304	4.618	50	20	CJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H]1c1ccsc1	750791750	OMVKHGPUAWHKJX-VQJIRCFZSA-N	298.386	4.589	50	20	CJGD	
CC[C@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	741465096	CNKZHCMYMAVTSV-AWEZNQCLSA-N	294.398	4.526	50	20	CJGD	
O=C(CCCC1CCCCC1)NNc1cccc(Cl)c1	301244258	XTIATXJKZCMRHJ-UHFFFAOYSA-N	294.826	4.534	50	20	CJGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)C1CCCCC1	753686064	CNWJHLUSXRPEGN-MDWZMJQESA-N	291.753	4.535	50	20	CJGD	
CC(CCC(C)C)=NNC(=O)c1ccc(C(C)(C)C)cc1	916324087	YDRYXIZYLVOAOX-UHFFFAOYSA-N	288.435	4.526	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761385378	LYMYBUZRTGXBRI-PUSOHNNWSA-N	288.199	4.577	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2csc3ccccc23)n1	229782201	XOAQJGGYMNTBMZ-WDZFZDKYSA-N	282.393	4.730	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1C	794875268	SXEJDRHMTDUUEC-LCYFTJDESA-N	275.779	4.561	50	20	CJGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc(C2CC2)cs1	843264797	KACVJUBEQGZZQD-QPEQYQDCSA-N	284.359	4.532	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	1325836865	SLPIAKUWYVWZAP-MLPAPPSSSA-N	299.732	4.577	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1coc2ccccc12	160225656	FTLKYBABKDHKOY-XYOKQWHBSA-N	293.347	4.593	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1Cl	766489445	FGXUQOVWGFKTJJ-AWNIVKPZSA-N	288.803	4.786	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	726117651	BBMSXMIUVMCRKZ-OQLLNIDSSA-N	295.407	4.937	50	20	CJGD	
CC[C@H](C)OC1(CBr)CCC(C(C)C)CC1	71125224	DJMKMEGYACILQH-HSBZDZAISA-N	291.273	4.781	50	20	CJGD	
CC(C)(C)[Si](C)(C)Oc1ccc2ccn(C(=O)O)c2c1	299890149	UVDFABHVULERGH-UHFFFAOYSA-N	291.423	4.551	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C/c2ccccc2)cc1C	809158386	AETZGURQMYWMHM-AVSIYSEJSA-N	287.362	4.650	50	20	CJGD	
CCCC[C@@H](CC)COC1(CBr)CCCC1	71125374	CHDNZUOOEIDEJI-CYBMUJFWSA-N	291.273	4.927	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(C(C)C)cc2)sc1C	216702334	ZNZWTSWYRXPDHU-SXGWCWSVSA-N	282.412	4.948	50	20	CJGD	
CSc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	843272011	GZEXQMSPTYFEQG-MDWZMJQESA-N	298.436	4.807	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccccc2Cl)c1	918714373	SZYSBPJCVQDHHI-MHWRWJLKSA-N	295.769	4.747	50	20	CJGD	
CCC[C@@H](CCl)CCCOCc1ccccc1	307562601	ZXPLPUGZJJFDAZ-CQSZACIVSA-N	254.801	4.639	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	726119785	DJARXSQPPVDIEZ-JXMROGBWSA-N	282.170	4.516	50	20	CJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)o1	843264295	HNWLFRNSNOHSGB-GONRPIDOSA-N	296.395	4.801	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	918712952	DQOOABURRMCERG-RVDMUPIBSA-N	293.366	4.859	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(\C#N)c1nc(C)cs1	8200289	YHDKOVFOVZRYED-XYOKQWHBSA-N	294.379	4.824	50	20	CJGD	
CCn1c(C)cc(/C=C(\C#N)c2nc(C(C)C)cs2)c1C	176918889	LTPSOWDBTDBNAI-OVCLIPMQSA-N	299.443	4.769	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	918715744	SVXGZBALXSRHPD-XYOKQWHBSA-N	295.304	4.618	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	917517279	MRCKGWUMLGRAHU-GHRIWEEISA-N	289.378	4.876	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	726428183	GUDQKZTXMLEPKO-VMDVGJCFSA-N	282.170	4.516	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc3ccccc3c2)sc1C	741474505	PSFXXNNIVZZHNB-LICLKQGHSA-N	290.391	4.977	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761374523	BKSJKZUYHOOJII-QPJJXVBHSA-N	288.199	4.577	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cccc(OC(C)(C)C)c2)n1	864365459	UNYZXTBNZZQLTQ-RIYZIHGNSA-N	298.411	4.693	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781548958	KCVDHEASOOIBOW-ZDIKFAODSA-N	295.354	4.523	50	20	CJGD	
CC[C@@H](C)O[C@H](CBr)c1ccc(Cl)cc1	2016208	UTCJQORVQSCRJO-BXKDBHETSA-N	291.616	4.591	50	20	CJGD	
FCCCNCc1cccc(S(F)(F)(F)(F)F)c1	921859873	ORBIMZOHCIIXFW-UHFFFAOYSA-N	293.276	4.793	50	20	CJGD	
CCCC[C@H](CC)CO[C@H]1CCCC[C@@H]1Br	71125365	MATJFHBYRWNYMD-IHRRRGAJSA-N	291.273	4.926	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccccc2C(C)C)n1	846759012	UEADEFPMGYGWDU-ZSOIEALJSA-N	268.385	4.639	50	20	CJGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)C1CCCC1	781553841	CZCBEKGDICVMBI-KPKJPENVSA-N	294.181	4.660	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cc3cc(F)ccc3o2)sc1C	132670295	ABDHSKWQWWIQNF-GHXNOFRVSA-N	298.342	4.709	50	20	CJGD	
CC#CCNc1cccc(S(F)(F)(F)(F)F)c1	690204258	LPDDGHOFSPRNDH-UHFFFAOYSA-N	271.254	4.779	50	20	CJGD	
CC1CCC(CBr)(OCCC(C)(C)C)CC1	85341073	YOQJMAHQVCGOOD-UHFFFAOYSA-N	291.273	4.783	50	20	CJGD	
Clc1ccc(OCCCCCCBr)cc1	140274676	ZMQHIXINZCKMJF-UHFFFAOYSA-N	291.616	4.674	50	20	CJGD	
FC(F)(F)C[C@@H](CBr)C1CCCCC1	409424747	HWCRRKPFFYADLW-VIFPVBQESA-N	273.136	4.530	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccs2)s1	797399189	PPSHDOYKDJDQMN-JXMROGBWSA-N	274.414	4.566	50	20	CJGD	
C[C@H](CCO)Nc1cccc(S(F)(F)(F)(F)F)c1	762785271	FDEIXEQYSMOYLU-MRVPVSSYSA-N	291.285	4.527	50	20	CJGD	
CCC1CCC(=NNC(=O)c2cccc3ccccc23)CC1	5455848	IEWAFLYPAYQFLE-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	726428180	GUDQKZTXMLEPKO-AXNBSVLLSA-N	282.170	4.516	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)cc1	794874886	KNQFRWWLKIDWDV-MHWRWJLKSA-N	297.304	4.723	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	1319322720	XIYPJTDRFVRQCM-JYRVWZFOSA-N	299.732	4.577	50	20	CJGD	
CC(C)(C)CCOC1(CBr)CCCCC1	85341053	NJNNLYWKEJGFLI-UHFFFAOYSA-N	277.246	4.537	50	20	CJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1	179609210	VTZTYRHSXUWIMQ-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
N#C/C(=C/c1cccc(F)c1)c1nc2cc(F)ccc2s1	730148628	IIFOMBTZPZOANJ-WDZFZDKYSA-N	298.317	4.639	50	20	CJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)C1CCCCC1	767712731	FODXLTKLQCHPPS-UVTDQMKNSA-N	297.329	4.628	50	20	CJGD	
Br[C@H]1CCCCCC[C@@H]1OCc1ccccc1	161932947	UCWUMCBFEZXQFP-GJZGRUSLSA-N	297.236	4.690	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	182201731	ZAKOLTQRTPCSEF-ACCUITESSA-N	295.338	4.594	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	741473301	GSUXJPROPHAVLN-NASPGAHYSA-N	295.304	4.618	50	20	CJGD	
CCCCO[C@H](CBr)c1ccc(Cl)cc1	50479853	BSVYECOACHJGCA-GFCCVEGCSA-N	291.616	4.593	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1C	735619754	QWRSXRNMGDWZAG-MHWRWJLKSA-N	287.366	4.552	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(Cl)c2)n1	83015668	AKPQCJSUVGUXBI-SDQBBNPISA-N	288.803	4.984	50	20	CJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)[C@@H](C)CC)cc1	726429601	MAHRTSNSXQDLRI-XOAFGZPJSA-N	299.414	4.778	50	20	CJGD	
CC[C@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	734979706	KMHZBEYKKVKGHI-AWEZNQCLSA-N	294.398	4.526	50	20	CJGD	
CCCN(N=CC(C(C)C)C(C)C)C(=O)OC(C)(C)C	794995550	JNYHVFHYRHIEDZ-UHFFFAOYSA-N	284.444	4.548	50	20	CJGD	
N#C/C(=C\c1ccc2ccccc2c1)c1nc2ccccc2[nH]1	6209326	DIDLKPABXQFKMN-SFQUDFHCSA-N	295.345	4.780	50	20	CJGD	
Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1CCl	401209614	OCROBOXVAFOSDH-UHFFFAOYSA-N	263.768	4.686	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)o1	788326507	FEFGILXVUIVCNV-JYRVWZFOSA-N	293.347	4.593	50	20	CJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccccc2)cc1	33384474	ZHDNNLFEBNCEIP-LGMDPLHJSA-N	289.378	4.774	50	20	CJGD	
C[C@H]1CCC[C@H](OC2(CBr)CCCCC2)C1	71125458	CGCCXNAYCBQUMY-STQMWFEESA-N	289.257	4.680	50	20	CJGD	
C/C=C/C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	690182132	XTCKRMHZTRYRTK-DUXPYHPUSA-N	287.253	4.859	50	20	CJGD	
N#C/C(=C/c1cccc(F)c1F)c1ccc2ccccc2n1	730730035	RGFBSIKVJDCDNY-UVTDQMKNSA-N	292.288	4.577	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccc(C)cc1	764922425	ZRWYPCRCKIOMGO-IYEWMPBZSA-N	287.362	4.731	50	20	CJGD	
CCSc1cccc(/C=C(/C#N)C(=O)C(CC)CC)c1	769725742	MNIJKMCMXAYXHC-GDNBJRDFSA-N	287.428	4.711	50	20	CJGD	
N#C/C(=C/c1ccccc1)c1nc(-c2ccccc2)cs1	3996261	HASYGYFEXQRRMK-WJDWOHSUSA-N	288.375	4.874	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1Cl	772171533	JGSABVOZGVSRKM-VGOFMYFVSA-N	299.732	4.577	50	20	CJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1cccc(C)c1C	727655192	UAFZHJMXAABZCJ-YBEGLDIGSA-N	293.341	4.541	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1F	731489311	CHWLUZRJGCDQAQ-VGOFMYFVSA-N	299.732	4.577	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	741472618	CHFMQZCELPVDRO-VUVCFOEZSA-N	299.414	4.634	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	918715463	JZOXEOVSEAVNOK-WQLSENKSSA-N	295.304	4.618	50	20	CJGD	
CCSc1cccc(/C=C(\C#N)C(=O)C(CC)CC)c1	769725743	MNIJKMCMXAYXHC-XNTDXEJSSA-N	287.428	4.711	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)s1	812248651	QHOKCYLAWKTXEM-POHAHGRESA-N	294.301	4.535	50	20	CJGD	
N#C/C(=C\c1ccccc1-c1ccccc1)c1ccccn1	917516973	FXQVTVSJHVOABK-NBVRZTHBSA-N	282.346	4.813	50	20	CJGD	
CC(C)C[C@@H](CBr)CCOCc1ccccc1	307395276	NEVBVCHSEPCCEM-HNNXBMFYSA-N	299.252	4.651	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	726118470	MXOLAKBZMAVGBQ-GHXNOFRVSA-N	296.197	4.906	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2ccc3ccccc3n2)ccc1F	729151484	WYFDGKPBPWWEQP-LFIBNONCSA-N	288.325	4.747	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761384638	HZEUGVRIZKLPCR-YWEYNIOJSA-N	288.199	4.577	50	20	CJGD	
Cc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	49784864	XGXALGKGRXCCEQ-CQSZACIVSA-N	295.473	4.648	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	726120608	WMPATOYOFJVPAP-YRNVUSSQSA-N	282.170	4.516	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	726429561	UXLLBPALQCKQMV-XTCQQWIJSA-N	297.329	4.608	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc(C)c(C)s2)cc1C	741473129	GKARCTRNLYHYBY-PXNMLYILSA-N	282.412	4.749	50	20	CJGD	
CCCOc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	741474094	NMAGKOBBSDWPOV-OQLLNIDSSA-N	298.411	4.613	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cc(F)cc(Cl)c2)sc1C	776721035	XHGQCPFQFIAKTR-QDEBKDIKSA-N	292.766	4.617	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1	794952880	JVNJUVMKCMMEBN-ILYHAJGMSA-N	267.372	4.545	50	20	CJGD	
CCOc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	176918211	ISAMBSPOFPBNIG-RIYZIHGNSA-N	298.411	4.729	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2Cl)cc1	764890796	BVUHDWDFGUPIRG-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	726429944	NUWUVTDTWKSKOH-GMCKNXKJSA-N	297.329	4.608	50	20	CJGD	
N#C/C(=C\c1ccccc1C1CC1)c1nc(C2CC2)cs1	843266561	XLBOPIVXSOGISI-OQLLNIDSSA-N	292.407	4.962	50	20	CJGD	
CC[C@H]1CCC[C@H](OC2(CBr)CCCC2)C1	70564211	NAMXEXPNWILCQE-STQMWFEESA-N	289.257	4.680	50	20	CJGD	
CC(C)CCCOC1(CBr)CCCCCC1	71125376	FELKYXDGRACNDH-UHFFFAOYSA-N	291.273	4.927	50	20	CJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)o1	843264293	HNWLFRNSNOHSGB-AICXGOIKSA-N	296.395	4.801	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cc(Cl)ccc2Cl)n1	753682647	HMIONLOHNWNHEQ-ONNFQVAWSA-N	295.194	4.823	50	20	CJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	918715845	ZJCRDCNRXKGCSM-FOWTUZBSSA-N	299.414	4.778	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc(C)c(C)s1	741466705	BEOZZRDYSHQDCX-VOANPMSRSA-N	280.396	4.770	50	20	CJGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788330252	FRXILYSIASGICA-JYRVWZFOSA-N	293.347	4.593	50	20	CJGD	
CCC[C@@](C)(CBr)CCOCc1ccccc1	306283857	AYCXLPQTICJESI-OAHLLOKOSA-N	299.252	4.795	50	20	CJGD	
N#C/C(=C\c1ccccc1C1CC1)c1cnc2ccccc2n1	790230466	AOIPTJFYNWPLPV-LFIBNONCSA-N	297.361	4.571	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1Cl	753683114	NBNKRLNQTDIPON-ISAHRAOESA-N	282.170	4.516	50	20	CJGD	
CC/C=C/CCOC(=O)CCCC[C@H]1CCSS1	918509125	QIAXMFGBPLBBIM-OOPCZODUSA-N	288.478	4.600	50	20	CJGD	
FC(F)(F)C[C@H](CBr)C1CCCCC1	409424732	HWCRRKPFFYADLW-SECBINFHSA-N	273.136	4.530	50	20	CJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1	810215958	AIIZLRVTUXUEEK-YBEGLDIGSA-N	295.769	4.692	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)ccc1F	843266387	VZBPNGCNHJMBGV-QPEQYQDCSA-N	284.359	4.532	50	20	CJGD	
CC(C)CCCO[C@H](CBr)c1ccccc1	50481450	JZFLVKIKRFGBEH-CQSZACIVSA-N	285.225	4.575	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccc(F)cc2)c(C)c1	18918117	BWDSFIRESSRZPI-MHWRWJLKSA-N	293.341	4.541	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2coc3ccccc23)sc1C	160249909	XFFPIPKPPQCZNS-KPKJPENVSA-N	280.352	4.570	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)s1	735618711	FCUTUSKMLATTMQ-FMIVXFBMSA-N	293.395	4.559	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1C	51121321	NEUMFTLXVKLIRD-YBEGLDIGSA-N	287.366	4.552	50	20	CJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1	750599729	HOWPEQBLCDAAFC-HTRKUNOGSA-N	298.386	4.589	50	20	CJGD	
N#C/C(=C/c1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1	792860425	WFPZYLXFCPIUNR-ATVHPVEESA-N	299.377	4.506	50	20	CJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)c1ccccc1	758416102	OSEXAXHQWMSDIT-RVDMUPIBSA-N	289.359	4.691	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	1318157487	QKQVAWVCKZPQTB-LKKYZFDUSA-N	295.407	4.937	50	20	CJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1	810216017	CCOGXSLFWAFIQE-SXGWCWSVSA-N	295.769	4.747	50	20	CJGD	
CCCC[C@H](CC)CO[C@@H]1CCC[C@@H]1Br	71125369	XRSJGCXLTAVFSV-RWMBFGLXSA-N	277.246	4.535	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	213023931	FNFGSEVOGRZFCN-PTNGSMBKSA-N	293.366	4.675	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	794874268	KAHCKPGBELKZMY-XYOKQWHBSA-N	295.304	4.618	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc2ccccc2o1	1115821159	GSNAGSFQGWZKOI-PTNGSMBKSA-N	287.318	4.531	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2c(F)cccc2Cl)sc1C	216710594	SOUATUJGVWRFJE-POHAHGRESA-N	292.766	4.617	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3cscc3Cl)[nH]c12	771839102	SYVFLNQOQFBFLS-YHYXMXQVSA-N	299.786	4.650	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1F	843266576	XNRLUBDODNIQDX-QPEQYQDCSA-N	284.359	4.532	50	20	CJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)c1ccsc1	176954800	OHRQALVGUJSWGT-JYRVWZFOSA-N	295.388	4.753	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2sccc2Cl)sc1C	782341423	JDJYKDYDEJQMTR-WEVVVXLNSA-N	280.805	4.539	50	20	CJGD	
O=C(/C=C/c1cccc(CCl)c1)c1cc(F)ccc1F	799890431	LPXHLNIDVVRIPA-QPJJXVBHSA-N	292.712	4.600	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1Cl	766290259	OUDQNIXUPPIZJL-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797398006	CZKBFQJEGSGXSH-ZROIWOOFSA-N	282.412	4.813	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccccc2OCC(C)C)n1	169967735	AIJLNZHPCNTYTG-NVNXTCNLSA-N	298.411	4.551	50	20	CJGD	
CC(C)[C@H](C)O[C@@H]1CCCCCC[C@H]1Br	253141443	XDFYSNDHPUQCMS-YNEHKIRRSA-N	277.246	4.534	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	741469504	LHLGFXHCLRWMOB-VPMLRQHESA-N	296.197	4.906	50	20	CJGD	
Cc1cc(/C(C#N)=C/c2cccc(Cl)c2)ccc1[N+](=O)[O-]	774559465	SJJSPRUOHGXLRA-RIYZIHGNSA-N	298.729	4.621	50	20	CJGD	
CCCN(N=C1CCC[C@@H](CC)C1)C(=O)OC(C)(C)C	794998729	UWESJFLBPUTKFG-CYBMUJFWSA-N	282.428	4.590	50	20	CJGD	
CC(C)(CBr)Cc1cccc2ccccc12	85050259	RRZHWBUYVPMZDY-UHFFFAOYSA-N	277.205	4.803	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	779705051	YKYIMOHSEHWPAW-UROBUVALSA-N	295.338	4.594	50	20	CJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)C(C)(C)CC)c[nH]c12	794875731	YIVVOMDJOVGECS-GXDHUFHOSA-N	294.398	4.643	50	20	CJGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc(F)cc1F	799890771	XULJVQRFLZCTSH-DAXSKMNVSA-N	292.712	4.600	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	917517177	KMAZPJVQCYYJMJ-ZROIWOOFSA-N	295.407	4.937	50	20	CJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1ccsc1	193346843	ZYOOUXRBULYUAH-YVLHZVERSA-N	289.359	4.691	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2sccc2C)cc1	212018770	UOGKCMUTTNTDNA-WJDWOHSUSA-N	295.407	4.799	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	753683944	YKGONYNPVZMVAG-IZZDOVSWSA-N	282.170	4.516	50	20	CJGD	
CC(C)(C)CCO[C@@H](CBr)c1ccccc1	85341055	BTYPHHLEVPOOFN-ZDUSSCGKSA-N	285.225	4.575	50	20	CJGD	
N#C/C(=C\c1cccc2c1CCC2)c1nc(C2CC2)cs1	844273046	ZPAXGCZJZRSZJX-OQLLNIDSSA-N	292.407	4.573	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C)c(Cl)c1	794874613	MJATWSANFKOTDC-MDWZMJQESA-N	275.779	4.561	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(C3CC3)cc2)sc1C	840717254	SSTPSZZHBNEXFO-CXUHLZMHSA-N	280.396	4.702	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1sccc1C	750912562	GTLHXAWSZBVERO-WFVPKAAFSA-N	293.391	4.793	50	20	CJGD	
Cc1ccsc1C(=O)/C=C\c1cccc(CCl)c1	799892435	IALPRPXOMYMUPD-WAYWQWQTSA-N	276.788	4.691	50	20	CJGD	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1ccccn1	6209267	MNEAHDFGVIASMP-GHRIWEEISA-N	298.345	4.938	50	20	CJGD	
CCC[C@H](C)C(CC)=NNC(=O)c1ccc2ccccc2c1	748248775	LSQACBFCGNYRFO-AWEZNQCLSA-N	296.414	4.772	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)CC(C)(C)C	918713367	JDMYWZMTONPINV-RAXLEYEMSA-N	295.382	4.907	50	20	CJGD	
CCCCCO[C@@H](CBr)c1cccc(C)c1	50481642	YBMRUVXBXFXRHQ-AWEZNQCLSA-N	285.225	4.638	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	726118095	IPHJWKSZRSXILC-KPKJPENVSA-N	296.197	4.906	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	779703526	JEMUOTRMICOTFL-KAMYIIQDSA-N	295.338	4.594	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	726120560	UFCRTMTXNSSXGD-JLHYYAGUSA-N	297.329	4.608	50	20	CJGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	747440088	OZTCNZCVJRTRRJ-OVCLIPMQSA-N	282.412	4.948	50	20	CJGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)c1ccoc1C	776190410	VNGWSLWUVHDEBT-MDWZMJQESA-N	299.757	4.648	50	20	CJGD	
N#C/C(=C/c1ccc(Oc2ccccc2)o1)c1ccccn1	588409987	TULBTTDWKGCNQR-OWBHPGMISA-N	288.306	4.531	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccs2)s1	797399191	PPSHDOYKDJDQMN-YFHOEESVSA-N	274.414	4.566	50	20	CJGD	
CCC(C[C@H](C)CC)=NNC(=O)c1ccc2ccccc2c1	917545273	QVVLMIAIDIDXBO-CQSZACIVSA-N	296.414	4.772	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccc(C)s1	729820722	XAGHWRUJAPNUPM-WFVPKAAFSA-N	293.391	4.793	50	20	CJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H]1c1ccsc1	750791738	OMVKHGPUAWHKJX-IJMVCFSESA-N	298.386	4.589	50	20	CJGD	
CCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180331090	ADWDFINZMYZXKZ-UHFFFAOYSA-N	275.242	4.693	50	20	CJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)C(CC)CC)cc1	726118513	NPZYBMDJIRCJOQ-GHRIWEEISA-N	299.414	4.778	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	741467943	BFKUMGVOIIELIK-JYVXZMADSA-N	295.304	4.618	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)c(F)c2)cc1	764888807	XTRGSNYNRGOZDT-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
CCCCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1	193772244	WBJZOJAVZAVJIV-XNTDXEJSSA-N	298.411	4.695	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	741468303	FBCXTPYXUAEDEQ-GJSJWPQCSA-N	295.304	4.618	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(SCC)c1	769740829	IPLTVZPAFXHJES-LERPTODRSA-N	287.428	4.711	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc2ccccc12	7714337	MMNWKMGCSDWHNL-LFIBNONCSA-N	287.318	4.531	50	20	CJGD	
N#C/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2o1	33899489	CXBWMZZGWDVTAU-XFXZXTDPSA-N	280.714	4.545	50	20	CJGD	
CC1(C)CCC(=NNC(=O)c2ccc3ccccc3c2)CC1	735972140	NHQPWVXWQSMTSJ-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)c1cccc(F)c1	772171593	KMJIBUMUEAQHID-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc(C)c(C)s1	125399628	BEOZZRDYSHQDCX-MNXDUIDKSA-N	280.396	4.770	50	20	CJGD	
CC(C)(C)CCOC1(CBr)CCCCCC1	85341051	ZIHDWPISCUBPAF-UHFFFAOYSA-N	291.273	4.927	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2Cl)n1	176919510	QOBQLVVQLLVMGI-KPKJPENVSA-N	288.803	4.984	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	730148839	NANWSKODVBQYDO-MDWZMJQESA-N	294.354	4.808	50	20	CJGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)C1CCCC1	781552898	GKXSWRXPEVKXKV-ATVHPVEESA-N	275.351	4.506	50	20	CJGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	915990300	ZQIWFXKREJLMSZ-GDNBJRDFSA-N	295.407	4.835	50	20	CJGD	
C=Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1	812768720	DAXHOTQWIYWAIY-UHFFFAOYSA-N	294.398	4.518	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cccc(OC(C)C)c2)sc1C	741474819	SCNBECHWGUIIKS-OVCLIPMQSA-N	298.411	4.611	50	20	CJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	916131006	KOJUWFJFEWYKLA-YBEGLDIGSA-N	287.318	4.531	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(F)c2)s1	797399836	WQEAYXCUYLPZQH-GHXNOFRVSA-N	286.375	4.644	50	20	CJGD	
Cc1ccsc1/C=C(\C#N)c1ccc2ccccc2n1	48579142	IBTSLLIAKXPFGL-GXDHUFHOSA-N	276.364	4.669	50	20	CJGD	
CCCCCO[C@H](CBr)c1ccc(C)cc1	50481630	OOTUDCPWDLEWLJ-CQSZACIVSA-N	285.225	4.638	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	3225365	JBVVRGYQXYORAV-JLHYYAGUSA-N	297.329	4.608	50	20	CJGD	
CC(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186054003	DMOPMIXWCVGULV-UHFFFAOYSA-N	289.269	4.939	50	20	CJGD	
CC(C)[C@@H](CBr)CCCOCc1ccccc1	307621007	OOWZTMWAOODZSP-OAHLLOKOSA-N	299.252	4.651	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1C	726119297	XFNALSFFSOBXFN-LICLKQGHSA-N	269.388	4.524	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1csc2ccccc12	741469185	KCNSUQGPEFDSBT-VWLVURMCSA-N	283.396	4.814	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	767340925	KADURRHQLGKHPS-NTEUORMPSA-N	298.729	4.621	50	20	CJGD	
CCCc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1	790231308	PGIIZKHFKVPKHL-ATVHPVEESA-N	299.377	4.646	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	726430504	ZBCDYXNJPILLER-WDGDVPDHSA-N	269.388	4.506	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2coc3ccccc23)cc1	764890828	CJOALFXLJATVGD-XNTDXEJSSA-N	287.318	4.531	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	726119332	XTGGKIRJFYKJJS-WCIBSUBMSA-N	282.170	4.516	50	20	CJGD	
COc1cccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797399861	XHISVPRSQAWFSP-MDWZMJQESA-N	298.411	4.513	50	20	CJGD	
CC(/C=C(/C#N)C(=O)c1cccc(F)c1)=C\c1ccccc1	773170231	JEHKTZMQLMVLRJ-RLGXRJJKSA-N	291.325	4.562	50	20	CJGD	
N#C/C(=C/C=C/c1ccccc1)c1ccc2ccccc2n1	746683610	FAZGPACNFRIEDP-VELFRKFLSA-N	282.346	4.855	50	20	CJGD	
CCCCCCCCO[C@@H]1CCC[C@H]1Br	109318308	IEFQHBGZFNNNKN-CHWSQXEVSA-N	277.246	4.680	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1F	731489733	LBUQXISPZXTWSG-CXUHLZMHSA-N	293.341	4.541	50	20	CJGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc(C2CC2)cs1	843265994	RQYFOVGNOVQZCJ-AWNIVKPZSA-N	284.359	4.532	50	20	CJGD	
CC1(C)CCCC(=NNC(=O)c2cccc3ccccc23)C1	767784689	GHACXRPIUNXNQH-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	726118191	JSVAQXYTOVKFCS-QGOAFFKASA-N	289.378	4.876	50	20	CJGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)C1CCCC1	781553840	CZCBEKGDICVMBI-GHXNOFRVSA-N	294.181	4.660	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccsc2Cl)s1	790099972	KMUKZTWUAXZDHG-POHAHGRESA-N	293.800	4.561	50	20	CJGD	
C[C@@H]1CCC[C@](CBr)(OC2CCCCC2)C1	71125234	XZBWIHLGBMREKG-OCCSQVGLSA-N	289.257	4.680	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	726430301	XXSHHZDNQMCQRI-NJQKBMNKSA-N	282.170	4.516	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	741471311	YVBFCOLEGFFDFQ-FMNVXAMXSA-N	269.388	4.722	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	726429943	NUWUVTDTWKSKOH-CVCOIXHCSA-N	297.329	4.608	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(C)ccc2F)c1	734980442	JCYBNEXJHGOFKH-LICLKQGHSA-N	293.341	4.541	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccccc2C2CC2)sc1C	751039484	SHUCXYRBWIDMEX-OQLLNIDSSA-N	280.396	4.702	50	20	CJGD	
N#C/C(=C/C=C\c1ccccc1)c1nc(C2CC2)cs1	866010921	JZECRJBFQUFHNK-DWFRYJRFSA-N	278.380	4.641	50	20	CJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)C3CCCC3)oc2cc1C	781555723	ONVGLHFAAHAJLG-MHWRWJLKSA-N	293.366	4.716	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(Cl)cc3)[nH]c12	735618667	DNMAVESDPYQSQK-LCYFTJDESA-N	293.757	4.589	50	20	CJGD	
CCCc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)s1	857202147	LDWZUAMMNVPTJL-XYOKQWHBSA-N	288.441	4.838	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1	179609817	XFKQDUWIYDEREQ-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	779703528	JEMUOTRMICOTFL-SDNWHVSQSA-N	295.338	4.594	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)[C@H](C)CC	726429307	SHQIXBAYIJRNFO-YGYTWAPGSA-N	281.355	4.517	50	20	CJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)c1	773155183	SIEMMQHNVDSSMO-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)C1CCCCC1	755407107	SHOBTHRABNDITQ-JYRVWZFOSA-N	291.753	4.535	50	20	CJGD	
Br[C@@H]1CCCCCC[C@@H]1OCc1ccccc1	161933229	UCWUMCBFEZXQFP-CABCVRRESA-N	297.236	4.690	50	20	CJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccccc1	728155147	DIDLGAZAPFQIHS-HNNXBMFYSA-N	286.419	4.543	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1Cl	766290257	OUDQNIXUPPIZJL-JYRVWZFOSA-N	299.732	4.577	50	20	CJGD	
Cc1sccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	834441769	USJRYFDMHFITDN-GHXNOFRVSA-N	288.441	4.875	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)CC(C)(C)C)cc1C	918714311	SGJVHMOFSTZDDY-SXGWCWSVSA-N	269.388	4.524	50	20	CJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1	921270384	UXPZOJRUCHHNHJ-ODLFYWEKSA-N	289.378	4.710	50	20	CJGD	
CCCC1CCC(CBr)(OCC(C)C)CC1	71125310	KGLMKYXTJLUPPU-UHFFFAOYSA-N	291.273	4.783	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(Cl)c2)cc1	764884756	FYOYBLXKCACLLI-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
CCCN(N=CCC1CCCCC1)C(=O)OC(C)(C)C	814927252	DWIKXNUFQKJTAC-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc2ccccc2n1C	6691202	BWFDMOCLOFPOSC-OKBBDPFXSA-N	299.377	4.584	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1sccc1Cl	588600639	AZUYJWVWQSUBPP-TWGQIWQCSA-N	293.800	4.561	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	726430298	XXSHHZDNQMCQRI-ISAHRAOESA-N	282.170	4.516	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3coc4ccccc34)[nH]c12	746521207	XJPVIZMGYYASKJ-UKTHLTGXSA-N	299.333	4.682	50	20	CJGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccc2ccccc2c1	807964487	JHPOYRJVYBPSKH-AWEZNQCLSA-N	296.414	4.772	50	20	CJGD	
Cc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	33980584	HDDMBJPTQWJDGG-CYBMUJFWSA-N	295.473	4.648	50	20	CJGD	
C[C@H]1C[C@@H](OC2(CBr)CCCC2)CC[C@H]1C	82840293	NIUFZJXCAZRHAW-AGIUHOORSA-N	289.257	4.535	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2c(C)oc3ccccc23)sc1C	134408904	UGEKMQVNMJFRKK-MDWZMJQESA-N	294.379	4.879	50	20	CJGD	
CCCCCCOc1cccc(/C=C(\C#N)C(=O)C(C)C)c1	747033950	LXKZIWDOBLAQFJ-SFQUDFHCSA-N	299.414	4.778	50	20	CJGD	
BrCC1(CCCOCc2ccccc2)CCC1	307004176	CLPNVCRCAFDYDY-UHFFFAOYSA-N	297.236	4.549	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(Cl)s2)sc1C	741466802	FLOQOXWEZJRELA-WEVVVXLNSA-N	280.805	4.539	50	20	CJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	764917386	QZYAFVRXYKRXPK-WJDWOHSUSA-N	293.391	4.507	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	759083175	HQPGUVGHSFRNAK-HLVNSREUSA-N	281.355	4.654	50	20	CJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)c1ccccc1	810193418	GZNFAJQADSWSIS-GXDHUFHOSA-N	289.359	4.691	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1sccc1C	750912556	GTLHXAWSZBVERO-OAPQASQTSA-N	293.391	4.793	50	20	CJGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)C1CCCC1	781555302	FPMLKZKDHJMAAA-DHZHZOJOSA-N	294.181	4.660	50	20	CJGD	
C=CCCCCCC(C)=NNC(=O)c1cccc(Cl)c1	788966447	UUZWKHHXDARHES-UHFFFAOYSA-N	292.810	4.582	50	20	CJGD	
CC(C)c1ccc(NNC(=O)c2ccccc2C(C)C)cc1	854882764	PGKXOADBQQXHAN-UHFFFAOYSA-N	296.414	4.690	50	20	CJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1ccccc1	6514527	CUHDXUGRLHCEBO-QGOAFFKASA-N	283.330	4.630	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cccc(Cl)c2Cl)n1	169968370	JOYSBPRKSLDTTG-YHYXMXQVSA-N	295.194	4.823	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc2ccccc2[nH]1	33322519	GWIODNLLWDIZDK-RVFWBLQRSA-N	285.350	4.573	50	20	CJGD	
CC[C@@H](C)c1ccc(-c2csc(/C(C#N)=C(\C)N)n2)cc1	806552930	BRYNCFVGWNMNFP-UAKDJOGKSA-N	297.427	4.537	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	747440188	QQOONOQCERYUDG-OQLLNIDSSA-N	282.412	4.893	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cc(F)cc(Cl)c2)sc1C	776721034	XHGQCPFQFIAKTR-JYOAFUTRSA-N	292.766	4.617	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Cl	779708765	YSFNUTUHFJTSSE-LCYFTJDESA-N	293.757	4.589	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1	741475277	XCLGTTKFHDUNAT-LXFZMAGDSA-N	267.372	4.545	50	20	CJGD	
CCCC1CCC(=NNC(=O)c2cc3ccccc3o2)CC1	749823616	MVCNLXFZHGZQGK-UHFFFAOYSA-N	298.386	4.509	50	20	CJGD	
Cc1ccccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398924	NEQSYIHLROLOKL-NTEUORMPSA-N	282.412	4.813	50	20	CJGD	
COC[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	185557524	XIVLOENUKXGAKY-MRVPVSSYSA-N	291.285	4.791	50	20	CJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)ccc1F	729151250	VAXNVEDPGVGLOX-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
CC1(C)CCC(=NNC(=O)c2cccc3ccccc23)CC1	741465421	JHWWWXJXTDJSRB-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	741471323	YZZOFMIBFQVMQX-QXPQOBGOSA-N	293.366	4.859	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc3c(c2)CCC3)n1	1116187807	MKDIHGUIUSBGLH-SXGWCWSVSA-N	294.423	4.819	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)s1	729823949	UZRMGGSSJKIHLA-YBEGLDIGSA-N	295.407	4.970	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	917518120	WARZQYQUKXSKKU-ZSOIEALJSA-N	299.370	4.686	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	726429954	NUWUVTDTWKSKOH-YGYTWAPGSA-N	297.329	4.608	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1	83015719	SVAIKHJUQZCMEG-ZSOIEALJSA-N	268.385	4.639	50	20	CJGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1	767736760	MTAXVUDEPPPYKZ-ATVHPVEESA-N	297.398	4.530	50	20	CJGD	
CCCc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1	790231309	PGIIZKHFKVPKHL-SFQUDFHCSA-N	299.377	4.646	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(Cl)c(F)c2)sc1C	125412444	REUUVBBXOZKGMM-WZUFQYTHSA-N	292.766	4.617	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)s1	729823948	UZRMGGSSJKIHLA-MHWRWJLKSA-N	295.407	4.970	50	20	CJGD	
CCCCCCCCC(=O)NNc1cccc(Cl)c1	888433271	RHOZQJVGQMDYCU-UHFFFAOYSA-N	282.815	4.534	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2occc2c1	1325841783	PWGFCFKZWQVFSQ-WJDWOHSUSA-N	287.318	4.531	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1	192722179	SGUACNGOCALIGT-JLHYYAGUSA-N	299.333	4.682	50	20	CJGD	
CCCCCO[C@]1(CBr)CCC[C@H](C)C1	71125482	HSKCIEIAVCZQCC-QWHCGFSZSA-N	277.246	4.537	50	20	CJGD	
N#C/C(=C/c1ccc(F)cc1)c1nc2cc(F)ccc2s1	730150503	LIFOFERYKFLJCO-XFFZJAGNSA-N	298.317	4.639	50	20	CJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)c1ccccn1	761378372	YWHRSNVPAYVQNQ-YFHOEESVSA-N	293.128	4.592	50	20	CJGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)C1CCCC1	781556252	VZMBVCLGPUSXPO-XYOKQWHBSA-N	294.181	4.660	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc4occc4c3)[nH]c12	794690191	HJWAAJSPSBRGKX-XNTDXEJSSA-N	299.333	4.682	50	20	CJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1C	731159523	SFFCDJCCAMHDID-WQRHYEAKSA-N	289.378	4.710	50	20	CJGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1	781555082	CBTIHKHAVJJFNZ-KPKJPENVSA-N	294.181	4.660	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc2ccccc2s1	758419257	UPQWUVSLTQRFAE-UKTHLTGXSA-N	283.396	4.814	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cccc3ccccc23)n1	211688243	OMEFMFSPJHOSSN-DHDCSXOGSA-N	276.364	4.669	50	20	CJGD	
CCc1cccc(Cl)c1/C=C(/C#N)c1nc(C)cs1	797405551	AEITWCIGXZCCQT-GHXNOFRVSA-N	288.803	4.732	50	20	CJGD	
CC(C)=CCC[C@@H](C)CC=NN(C)C(=O)OC(C)(C)C	920381220	NNYJHWXLQGPSBT-CQSZACIVSA-N	282.428	4.612	50	20	CJGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc(C(C)C)cs1	176918854	PHPVDNZDOBUQDG-NTUHNPAUSA-N	286.375	4.778	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(/C#N)c1cnc2ccccc2n1	790227919	OLXCVMJXEIVYBF-GLDUUKHASA-N	297.361	4.640	50	20	CJGD	
FC(F)c1ccc2ccccc2c1CBr	238661343	LSCDPHWLAMRYOZ-UHFFFAOYSA-N	271.104	4.672	50	20	CJGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	255519108	MKBLAWUQMZMAEY-LCYFTJDESA-N	293.347	4.593	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2sccc2Cl)s1	588600702	GXLQAWMXKWSMID-TWGQIWQCSA-N	293.800	4.561	50	20	CJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)c1ccccc1	758416087	OSEXAXHQWMSDIT-PTNGSMBKSA-N	289.359	4.691	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	8117752	WANAPMBYSJHCEE-KWLMPMGGSA-N	291.350	4.501	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cc(Cl)cc(Cl)c2)n1	48639383	RKHJGLWGPMZYBV-WTDSWWLTSA-N	295.194	4.823	50	20	CJGD	
CCCOc1ccc(/C=C(/C#N)c2nc(C)cs2)c(C)c1	849176686	TYVFWTTXOWENHK-DHDCSXOGSA-N	298.411	4.613	50	20	CJGD	
N#C/C(=C/c1ccccc1Cl)c1nc(C2CC2)cs1	866011939	YLVILTUVOYDVTM-GHXNOFRVSA-N	286.787	4.738	50	20	CJGD	
C[C@@H]1CCC[C@@H](OC2(CBr)CCCCC2)C1	71125460	CGCCXNAYCBQUMY-CHWSQXEVSA-N	289.257	4.680	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	726117595	AKFYJUKHFWOBDJ-XYOKQWHBSA-N	296.197	4.906	50	20	CJGD	
Cc1ccc(-c2cccc(/C=C(\C#N)c3ccncn3)c2)cc1	758917707	YZOZARJILJLMNX-XDHOZWIPSA-N	297.361	4.516	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3sccc3Cl)[nH]c12	780004345	LTEPMVNHEPMBGP-YFHOEESVSA-N	299.786	4.650	50	20	CJGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)c1ccoc1C	788733126	QIRHVUPDPATKCG-LCYFTJDESA-N	299.757	4.594	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)c2cnc3ccccc3n2)cc1C	790227904	LWLPAHWAXXUZKC-LICLKQGHSA-N	299.377	4.619	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1F	255439941	DXEREESXXJWFCA-AWNIVKPZSA-N	286.375	4.778	50	20	CJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	730149140	CBGNEIQEEDQAJX-MHWRWJLKSA-N	299.414	4.634	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	98008702	BTJUNKUEZFQRRA-LCYFTJDESA-N	299.370	4.686	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)CC(C)C	726119757	CQYAJQGSBBQRBK-RAXLEYEMSA-N	281.355	4.517	50	20	CJGD	
N#C/C(=C/c1ccccc1F)c1nc2cc(F)ccc2s1	730149014	RWRUWYLZTMMUGV-XFFZJAGNSA-N	298.317	4.639	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	759036343	VWXFMADDWSBCOU-GXDHUFHOSA-N	281.355	4.654	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccccc1C1CC1	1319412544	NBIPNRSSYGFUIJ-SFQUDFHCSA-N	287.362	4.662	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3ccccc3o2)s1	105570423	CBEGXSBFOJZALB-LCYFTJDESA-N	293.347	4.593	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(Cl)c1F	1319623656	TYIWOFOVHVVCGR-UKTHLTGXSA-N	299.732	4.577	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)C(C)(C)C	212080843	SFUCSIBZEXWRRE-BENRWUELSA-N	281.355	4.517	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	726428585	ANULPJDZMCZXGU-CAXXOGMASA-N	282.170	4.516	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2cc(C)c(C)cc2o1	749808650	XRLJALFDABCASG-BTAWCLGRSA-N	281.355	4.572	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	759036347	VWXFMADDWSBCOU-UVTDQMKNSA-N	281.355	4.654	50	20	CJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)C1CCCCC1	794874739	IYSPEQBXYBNLCU-XNTDXEJSSA-N	289.325	4.681	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccn2C2CC2)s1	1118007317	SVXMMFJDDOIVIB-FMIVXFBMSA-N	297.427	4.641	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc(C(C)(C)C)cc2)n1	8079463	PUFMBZFJIFTWEL-NTEUORMPSA-N	282.412	4.813	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	741469078	JPLQVNICOJMDPK-NGPGYTDTSA-N	296.197	4.906	50	20	CJGD	
CCCCCCCO[C@H]1CCCC[C@H]1Br	109318249	PFLMSXWDJZVKDP-OLZOCXBDSA-N	277.246	4.680	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761374520	BKSJKZUYHOOJII-DAXSKMNVSA-N	288.199	4.577	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2s1	758434187	NMDCGGLEVRHTGO-HLVNSREUSA-N	283.396	4.814	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2F)cc1	764886136	LRKZIWKGNUNCIL-ZROIWOOFSA-N	299.732	4.577	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2ccccc2c1	741470011	OQQDOFLJVUSPPL-CRRKTRLDSA-N	277.367	4.752	50	20	CJGD	
Cc1ccoc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	742349774	KYDQYUQUAPUECV-ZROIWOOFSA-N	292.363	4.776	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cccc(CCl)c2)sc1C	799893023	VUXKRTHBKGJOJO-AUWJEWJLSA-N	288.803	4.563	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc2ccccc12	211205297	MMNWKMGCSDWHNL-WJDWOHSUSA-N	287.318	4.531	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	588419733	VJJXMPYUBQIGSH-DHZHZOJOSA-N	295.354	4.523	50	20	CJGD	
CCCC[C@H](CC)COC1(CBr)CCCC1	71125375	CHDNZUOOEIDEJI-ZDUSSCGKSA-N	291.273	4.927	50	20	CJGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843265956	QPNWPOVBNAVLMD-OVCLIPMQSA-N	280.396	4.702	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)n1	104976861	OKHIDZIODHDDCF-WMZJFQQLSA-N	295.194	4.823	50	20	CJGD	
CCn1c(C)cc(/C=C(\C#N)c2nc(C3CC3)cs2)c1C	843266101	SMCNJPKVSUMBTJ-OVCLIPMQSA-N	297.427	4.523	50	20	CJGD	
N#C/C(=C(\c1ccccc1)c1ccc(N)cc1)c1ccccc1	1857791479	GMJGXLANWIOCDI-MRCUWXFGSA-N	296.373	4.751	50	20	CJGD	
CCSc1cccc(/C=C(\C#N)c2nc(C)cs2)c1	184546563	JGYBGYRMDHGQKP-NTUHNPAUSA-N	286.425	4.628	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1coc2ccccc12	1116334042	UAMLGFCLEVEGTA-UVTDQMKNSA-N	287.318	4.531	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	726119054	SUIIZOBFIGBLBR-LFIBNONCSA-N	297.398	4.530	50	20	CJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)o1	843264296	HNWLFRNSNOHSGB-HAEZDXRRSA-N	296.395	4.801	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1C	8244643	WOFBMBNBVIPLME-LICLKQGHSA-N	293.341	4.541	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccc(F)cc1	212693239	ALRHAKZYLHONRF-HLXKFHDQSA-N	291.325	4.562	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)s1	170938404	CJNRCEPGRHSFCV-DIJNDRRESA-N	297.379	4.563	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1F	731489256	BHUXSOAYMQGXMA-YBEGLDIGSA-N	288.325	4.747	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2cc(C)c(C)cc2o1	749808655	XRLJALFDABCASG-ZRRZQRFHSA-N	281.355	4.572	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cccc(OC(C)C)c2)sc1C	125421049	SCNBECHWGUIIKS-NVNXTCNLSA-N	298.411	4.611	50	20	CJGD	
CC(C)OC1(CBr)CCC(C(C)(C)C)CC1	71125213	RJSAOLPOTRHSMA-UHFFFAOYSA-N	291.273	4.781	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	726428049	DHRXQCPGTJUXBW-SBMLRHLQSA-N	282.170	4.516	50	20	CJGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)C1CCCC1	781555304	FPMLKZKDHJMAAA-FLIBITNWSA-N	294.181	4.660	50	20	CJGD	
C[C@H]1CCC[C@@H](OC2(CBr)CCCCC2)C1	71125462	CGCCXNAYCBQUMY-QWHCGFSZSA-N	289.257	4.680	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	726429077	RWVHWIIUUBXSAW-AOHITCTBSA-N	297.398	4.530	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1C	843273765	UMEUMSGCTLLESY-NVNXTCNLSA-N	280.396	4.702	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	1319492072	WDLBKKMAKMBTNS-JYRVWZFOSA-N	299.732	4.577	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781548956	KCVDHEASOOIBOW-MJWAUXSNSA-N	295.354	4.523	50	20	CJGD	
N#C/C(=C/c1ccsc1)C(=O)c1cc2ccccc2s1	788328735	QCLAXYUHPLTZKT-QPEQYQDCSA-N	295.388	4.753	50	20	CJGD	
CCCC1CCC(CBr)(OC2CCC2)CC1	71125519	RWYLTNQOHNOEIH-UHFFFAOYSA-N	289.257	4.680	50	20	CJGD	
CCCC[C@H](CC)CO[C@H]1CCC[C@H]1Br	251414700	XRSJGCXLTAVFSV-XQQFMLRXSA-N	277.246	4.535	50	20	CJGD	
CCSc1cccc(/C=C(/C#N)C(=O)CC(C)(C)C)c1	769723757	BPRADZQPZXOXQN-ZROIWOOFSA-N	287.428	4.711	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)c(C)c1	794875289	UHDRZHHLFBTKIC-UKTHLTGXSA-N	275.779	4.561	50	20	CJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)o1	843264298	HNWLFRNSNOHSGB-WIQNMOJYSA-N	296.395	4.801	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1C	735617386	ZCPOARGTBGTCRG-MHWRWJLKSA-N	287.366	4.552	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cscc2Cl)s1	771836700	DKDOOZAFBFMUIP-WTKPLQERSA-N	293.800	4.561	50	20	CJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3ccccn3)o2)cc1	193338135	SSFLGZWGKCATAQ-FOWTUZBSSA-N	286.334	4.714	50	20	CJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)c1ccsc1	255364029	OHRQALVGUJSWGT-MDWZMJQESA-N	295.388	4.753	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1	741475278	XCLGTTKFHDUNAT-NVLYUYFCSA-N	267.372	4.545	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1F	834430716	WRPOVHZCIRQMOF-NTUHNPAUSA-N	286.375	4.778	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	212840882	JQZUGKMKVPKWIJ-HLXKFHDQSA-N	290.322	4.605	50	20	CJGD	
CCCCOC1(CBr)CCC(C(C)C)CC1	71125211	ZZDAOQGCCZMUBF-UHFFFAOYSA-N	291.273	4.783	50	20	CJGD	
Cc1cccc(C)c1/C=C(\C#N)c1nc(C2CC2)cs1	843271806	GAQLLJCZCLNBSX-RIYZIHGNSA-N	280.396	4.702	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1cccc(F)c1	773170210	JEHKTZMQLMVLRJ-AIXGLBGOSA-N	291.325	4.562	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccccc2C(C)C)n1	846759011	UEADEFPMGYGWDU-RIYZIHGNSA-N	268.385	4.639	50	20	CJGD	
O=C(NN=C1CCCCCCC1)c1ccc2ccccc2c1	917547561	VUVLDOGYIVRGMC-UHFFFAOYSA-N	294.398	4.670	50	20	CJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)C(C)C)s2)cc1	920481258	YFBGRBXZOBCGSA-GDNBJRDFSA-N	295.407	4.856	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1C1CC1	750818580	WVBMNMWAXWMGHU-GDNBJRDFSA-N	293.391	4.724	50	20	CJGD	
CCCc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	774131304	QOOWCQQDGGAJJD-YBEGLDIGSA-N	282.412	4.777	50	20	CJGD	
CCCCCCO[C@@H](CBr)c1ccccc1	50481473	PECDWTHCXCCBAN-AWEZNQCLSA-N	285.225	4.720	50	20	CJGD	
CCCCCO[C@@H](CBr)c1ccc(C)cc1	50481629	OOTUDCPWDLEWLJ-AWEZNQCLSA-N	285.225	4.638	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)s1	170938400	CJNRCEPGRHSFCV-QTVVZREVSA-N	297.379	4.563	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)s1	747438981	BIKKZSSDVFLJHB-XFFZJAGNSA-N	288.441	4.955	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(F)cc2C)c1	750900376	LCAYLNRMOWYHBS-YVLHZVERSA-N	293.341	4.541	50	20	CJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C(F)F	690206868	AYCGGVUTOUTDOE-UHFFFAOYSA-N	297.195	4.548	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1	726427991	CIBMMZXIOHCBKS-DSQDWWTGSA-N	293.366	4.777	50	20	CJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)[C@@H](C)CCC)cc1	741468780	HRKIKJLOKOXBRP-XOAFGZPJSA-N	299.414	4.778	50	20	CJGD	
CC(C)CCCO[C@@H](CBr)c1ccccc1	50481448	JZFLVKIKRFGBEH-AWEZNQCLSA-N	285.225	4.575	50	20	CJGD	
N#C/C(=C/C=C/c1ccccc1)c1nc(C2CC2)cs1	866010922	JZECRJBFQUFHNK-GVEAZFNLSA-N	278.380	4.641	50	20	CJGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc(C2CC2)cs1	843265996	RQYFOVGNOVQZCJ-MLPAPPSSSA-N	284.359	4.532	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	1319322725	XIYPJTDRFVRQCM-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
CC1CCC(CBr)(OCc2ccccc2)CC1	110062284	JQGXQTNQAZPPOP-UHFFFAOYSA-N	297.236	4.547	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl	766288823	MEAGPJZVCPERMJ-JYRVWZFOSA-N	293.757	4.589	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	1253570929	UCWVQNWLGZBZGT-JYRVWZFOSA-N	299.732	4.577	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2F)cc1	764884217	DHDOFGIJGJKYHN-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)ccc1F	843266385	VZBPNGCNHJMBGV-NTUHNPAUSA-N	284.359	4.532	50	20	CJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	8201762	BHYAQBLPCQHFRS-LFIBNONCSA-N	293.341	4.739	50	20	CJGD	
CCCCCCO[C@H](CBr)c1ccccc1	50481475	PECDWTHCXCCBAN-CQSZACIVSA-N	285.225	4.720	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(C(C)C)cc2)n1	169971999	CCIQRYFWCBQPNG-NVNXTCNLSA-N	268.385	4.639	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2c(C)oc3ccccc23)n1	255124689	ZYEXQKWHHDBRER-GHXNOFRVSA-N	280.352	4.570	50	20	CJGD	
CC1(C)CC(C)(C)C1(CC=O)O[Si](C)(C)C(C)(C)C	536950067	JORQKQNQRUVETB-UHFFFAOYSA-N	284.516	4.792	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761176027	HKDGDKMICCNKTG-NGPGYTDTSA-N	287.746	4.608	50	20	CJGD	
CC(C)[C@H](C)O[C@H]1CCCCCC[C@H]1Br	253141442	XDFYSNDHPUQCMS-XQQFMLRXSA-N	277.246	4.534	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)cc(Cl)c2)cc1	776721127	XZLCXTNUZBUFCZ-NSIKDUERSA-N	299.732	4.577	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	726428315	JXICBHKEMGBULE-GULXKOIASA-N	295.407	4.937	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccsc1Cl	790099493	HIHCMUIRJLJSQA-POHAHGRESA-N	293.800	4.561	50	20	CJGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843265242	LVCQOYAATMNASC-QPEQYQDCSA-N	284.359	4.532	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cc(Cl)ccc2F)sc1C	753716763	GCIXETWBAFUWNP-WZUFQYTHSA-N	292.766	4.617	50	20	CJGD	
C[C@H](C#N)Nc1cccc(S(F)(F)(F)(F)F)c1	185559294	NDWDFQSLZSNUOH-SSDOTTSWSA-N	272.242	4.668	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2o1	749808654	XRLJALFDABCASG-PDICVPPASA-N	281.355	4.572	50	20	CJGD	
N#C/C(=C/c1csc(Cl)c1Cl)c1ccccn1	761376684	OWZUFRWIDJVWGP-YVMONPNESA-N	281.167	4.514	50	20	CJGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788330254	FRXILYSIASGICA-MDWZMJQESA-N	293.347	4.593	50	20	CJGD	
COc1cccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797399860	XHISVPRSQAWFSP-JYRVWZFOSA-N	298.411	4.513	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(CCl)c2)cc1	799891970	KJTSWYXNUZWIRJ-YVLHZVERSA-N	295.769	4.524	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)c2cnc3ccccc3n2)cc1C	790227907	LWLPAHWAXXUZKC-YVLHZVERSA-N	299.377	4.619	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	726119056	SUIIZOBFIGBLBR-WJDWOHSUSA-N	297.398	4.530	50	20	CJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1C	731159522	SFFCDJCCAMHDID-WOJGMQOQSA-N	289.378	4.710	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1C	843265442	NBMUWHBTBOTFQY-OVCLIPMQSA-N	280.396	4.702	50	20	CJGD	
CCCCCOC1(CBr)CCCCCC1	71125465	SQDXEZKAHDHFDS-UHFFFAOYSA-N	277.246	4.681	50	20	CJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@H]1c1ccsc1	750791751	OMVKHGPUAWHKJX-XQDXXFRFSA-N	298.386	4.589	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(SCC)c1	769740851	IPLTVZPAFXHJES-OJNRTJSBSA-N	287.428	4.711	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(C3CC3)cc2)sc1C	840717266	SSTPSZZHBNEXFO-SXGWCWSVSA-N	280.396	4.702	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)s1	48579145	PQADVFFSYAQDDY-GXDHUFHOSA-N	276.364	4.669	50	20	CJGD	
FS(F)(F)(F)(F)c1cccc(N[C@@H]2CCOC2)c1	186495200	FUJVZBJRLAFFDX-SECBINFHSA-N	289.269	4.545	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)s2)s1	105570612	JHRNLEPRJMYBFX-RMKNXTFCSA-N	293.800	4.561	50	20	CJGD	
CCOc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	176919056	ARZKEZHRJQBRBR-NTEUORMPSA-N	298.411	4.729	50	20	CJGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1	767736764	MTAXVUDEPPPYKZ-SFQUDFHCSA-N	297.398	4.530	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cccc(CCl)c2)sc1C	799893024	VUXKRTHBKGJOJO-VGOFMYFVSA-N	288.803	4.563	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2sccc2C)c(C)c1	915989649	DQXONRICQXYTDC-OQLLNIDSSA-N	295.407	4.772	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	741469063	JPLQVNICOJMDPK-DFYQSJSGSA-N	296.197	4.906	50	20	CJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	764917382	QZYAFVRXYKRXPK-LFIBNONCSA-N	293.391	4.507	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	8238030	FNFGSEVOGRZFCN-RVDMUPIBSA-N	293.366	4.675	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc2ccccc2n1C	51104345	BWFDMOCLOFPOSC-KDOCSACZSA-N	299.377	4.584	50	20	CJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	734980385	IPFJVRSXVFSWHA-YBEGLDIGSA-N	293.341	4.541	50	20	CJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)C(C)(C)C)o2)cc1	915982621	PQYZVXIRYPKRTP-PTNGSMBKSA-N	293.366	4.777	50	20	CJGD	
CCC[C@@](C)(CCl)CCOCc1ccccc1	306160878	UKVGUINIKXPHSL-OAHLLOKOSA-N	254.801	4.639	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	794877250	JMPROBHBDJJQNP-XFXZXTDPSA-N	295.304	4.618	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)o1	797397778	BBUXUMDPVHXUIW-FLIBITNWSA-N	286.400	4.660	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc2ccccc12	794873543	FTDWLSKYMDERFE-FMIVXFBMSA-N	283.396	4.814	50	20	CJGD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)CCl	1116434370	UDGHZLHAFMUGQW-UHFFFAOYSA-N	297.851	4.597	50	20	CJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)c1ccccn1	761378364	YWHRSNVPAYVQNQ-JXMROGBWSA-N	293.128	4.592	50	20	CJGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)C1CCCCC1	767714058	OCZNEYGTJNDRGK-JYRVWZFOSA-N	291.753	4.535	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccccc1C	212129426	INMOTOMAGCWEMY-SXDCBDFHSA-N	287.362	4.731	50	20	CJGD	
Br[C@@H]1CCCCCC[C@H]1OCc1ccccc1	161933090	UCWUMCBFEZXQFP-HUUCEWRRSA-N	297.236	4.690	50	20	CJGD	
Cc1cccc(C)c1/C=C(\C#N)c1nc(C(C)C)cs1	755602649	XWZLIBIUZXZFOR-RIYZIHGNSA-N	282.412	4.948	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cscc2Cl)sc1C	771860053	PJGJRJBYDATWIK-OQFOIZHKSA-N	280.805	4.539	50	20	CJGD	
CCCN(N=C(C)CC1CCCC1)C(=O)OC(C)(C)C	794992474	ALWRPKKTENQJKS-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2ccc3ccccc3n2)c1	917146435	MGZVSUAOPMJNRZ-ATVHPVEESA-N	270.335	4.607	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(Cl)s1	44028398	KJZAKIBXBFRINX-RMKNXTFCSA-N	293.800	4.561	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1C	726119298	XFNALSFFSOBXFN-YVLHZVERSA-N	269.388	4.524	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc2ccccc12	741470118	QJWWHZNOCCCFKS-IQGJIOQQSA-N	277.367	4.752	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc4ccccc4o3)[nH]c12	735619507	NSXWDRFJBCMSBG-GXDHUFHOSA-N	299.333	4.682	50	20	CJGD	
N#C/C(=C/c1ccccc1C1CC1)c1nc(C2CC2)cs1	843266560	XLBOPIVXSOGISI-DHDCSXOGSA-N	292.407	4.962	50	20	CJGD	
CCC[C@H](CBr)CCCOCc1ccccc1	306599118	HFTZFPLJXWKHKM-AWEZNQCLSA-N	299.252	4.795	50	20	CJGD	
Cc1cc(F)ccc1/C=C(/C#N)c1ccc2ccccc2n1	750912145	CUMOLNCECZDQLK-WJDWOHSUSA-N	288.325	4.747	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)cc2)s1	797398901	MPLQQFFUIBVZKX-WQLSENKSSA-N	286.375	4.644	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1C	843265441	NBMUWHBTBOTFQY-NVNXTCNLSA-N	280.396	4.702	50	20	CJGD	
CCCc1ccc(/C=C(\C#N)c2nc(C)cs2)s1	856721022	YDWHWCNMRXSXLA-YRNVUSSQSA-N	274.414	4.530	50	20	CJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1	11297380	CCOGXSLFWAFIQE-CXUHLZMHSA-N	295.769	4.747	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761176184	KAKXWAQLFBMGHO-DHZHZOJOSA-N	287.746	4.608	50	20	CJGD	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)C1CCCCC1	767714476	QDUKANKNUFMYJL-SFQUDFHCSA-N	297.398	4.530	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)c(F)c1	864365896	FVNIXYUUXSRUJA-QPEQYQDCSA-N	284.359	4.532	50	20	CJGD	
C[C@H]1C[C@H](OC2(CBr)CCCC2)CC[C@H]1C	82840298	NIUFZJXCAZRHAW-FRRDWIJNSA-N	289.257	4.535	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1C	917144343	GSUFZBPYOHZOOC-PDGQHHTCSA-N	284.362	4.916	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc3c(c2)CCC3)n1	1116187805	MKDIHGUIUSBGLH-CXUHLZMHSA-N	294.423	4.819	50	20	CJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	7713928	YCRONUYIGSTLNH-RVDMUPIBSA-N	293.391	4.507	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	63275478	FOMFNKUYEUUQAM-QINSGFPZSA-N	297.398	4.530	50	20	CJGD	
CC[C@@H]1CCC[C@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950093	KLEQEHKMLWDYCN-UKRRQHHQSA-N	270.489	4.546	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)CCCC3)sc1C	792882736	ALCDLXBRNUZPAR-LICLKQGHSA-N	294.423	4.703	50	20	CJGD	
Cc1ccc(-c2cccc(/C=C(/C#N)c3ccncn3)c2)cc1	758917706	YZOZARJILJLMNX-UNOMPAQXSA-N	297.361	4.516	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	726428118	FGNGMZLGZWIWAM-CCNLRRDASA-N	289.378	4.876	50	20	CJGD	
FS(F)(F)(F)(F)c1cccc(CNCC2CC2)c1	840974840	IPMARJPEQZQDSL-UHFFFAOYSA-N	287.297	4.844	50	20	CJGD	
CC(C)(CBr)C/C=C/c1ccccc1	585142434	FNWJLSGSEYYUDH-RMKNXTFCSA-N	253.183	4.511	50	20	CJGD	
Cc1ccc(C(C)(C)C)cc1CCCBr	107599556	AOLMFXFYLAEHCZ-UHFFFAOYSA-N	269.226	4.620	50	20	CJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)C(CC)CC)c[nH]c12	726117943	GGIHUPFLIYMCCW-XNTDXEJSSA-N	294.398	4.643	50	20	CJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)s1	731158498	BHXFMINZJQSEOQ-UVTDQMKNSA-N	295.407	4.717	50	20	CJGD	
Cc1ccc(F)c(/C=C(/C#N)c2ccc3ccccc3n2)c1	734979774	CVGZWJQXYUEHQY-WJDWOHSUSA-N	288.325	4.747	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	917518119	WARZQYQUKXSKKU-RIYZIHGNSA-N	299.370	4.686	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)c(C)cc2C)s1	729820367	OWMNLCJHFINVSN-CXUHLZMHSA-N	295.407	4.772	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(C)c(F)c2)c1	731489783	MDJZZTBOHLWDRL-RQZCQDPDSA-N	293.341	4.541	50	20	CJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1Cl	779704432	PNZVGXJHNSQDRL-UKTHLTGXSA-N	299.732	4.577	50	20	CJGD	
BrCC1(COCc2ccccc2)CCCCC1	86536590	GXHTXPUUTIVGPO-UHFFFAOYSA-N	297.236	4.549	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc2ccccc2s1	123437610	VBNDBZCJPWFIAH-UKTHLTGXSA-N	293.347	4.593	50	20	CJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1Cl	779702974	CHYMTXDBVMDXKK-ZROIWOOFSA-N	299.732	4.577	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(Cl)cs1	588600978	YOOXKDJEBDCQJG-RUDMXATFSA-N	293.800	4.561	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(F)c(C)c2)c1	729150967	RXSSAPIDZLNSKZ-LICLKQGHSA-N	293.341	4.541	50	20	CJGD	
Cn1c(/C(C#N)=C\c2ccccc2C2CC2)nc2ccccc21	750817104	CAHRPPDNHDPPPE-VBKFSLOCSA-N	299.377	4.515	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2sccc2C)c(C)c1	915989631	DQXONRICQXYTDC-DHDCSXOGSA-N	295.407	4.772	50	20	CJGD	
CC[C@H]1CCC[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950094	KLEQEHKMLWDYCN-ZFWWWQNUSA-N	270.489	4.546	50	20	CJGD	
COc1cccc(C)c1/C=C(\C#N)c1nc(C(C)C)cs1	834430438	OBBWXXMQPDYMDB-MDWZMJQESA-N	298.411	4.648	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	1320845737	AKHSGAJTPAPIIF-JYRVWZFOSA-N	299.732	4.577	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1	726119079	SZQMHQBDBOWJBB-HLXKFHDQSA-N	267.372	4.545	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(Cl)c(F)c2)sc1C	741474592	REUUVBBXOZKGMM-VZUCSPMQSA-N	292.766	4.617	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	773153280	CZSQZIIMIYSTIO-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1C#N	766290311	PYUMTWSZQSWFSC-CHHVJCJISA-N	293.395	4.511	50	20	CJGD	
CCCCCCCCO[C@@H]1CCC[C@@H]1Br	109318301	IEFQHBGZFNNNKN-QWHCGFSZSA-N	277.246	4.680	50	20	CJGD	
CC[C@@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	741465097	CNKZHCMYMAVTSV-CQSZACIVSA-N	294.398	4.526	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(C)s2)cc1	7208176	KLSIQOGIBWLUQT-LFIBNONCSA-N	295.407	4.799	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	726430637	ZRMKEVMLEOYVKA-HNDQUVLASA-N	297.398	4.530	50	20	CJGD	
CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186072243	JSKUMALCTWGLOV-UHFFFAOYSA-N	275.242	4.693	50	20	CJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	213511907	GLAZDQKLIRFARH-BOPFTXTBSA-N	293.341	4.739	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	726117703	BNCBRDGIVWJPOL-LCYFTJDESA-N	295.304	4.618	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccccc2OC(C)C)sc1C	125396162	JWDAYBLSELSSMJ-DHDCSXOGSA-N	298.411	4.611	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	726430502	ZBCDYXNJPILLER-LKKYZFDUSA-N	269.388	4.506	50	20	CJGD	
CCSc1cccc(/C=C(/C#N)c2nc(C)cs2)c1	588488689	JGYBGYRMDHGQKP-QPEQYQDCSA-N	286.425	4.628	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc2occc2c1	794690771	JNKVHPJJHJYDOD-NTEUORMPSA-N	293.347	4.593	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc2occc2c1	794690772	JNKVHPJJHJYDOD-ZROIWOOFSA-N	293.347	4.593	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(CCl)c1	1321190672	UURCJGSWRSWQIV-MHWRWJLKSA-N	295.769	4.524	50	20	CJGD	
N#C/C=C(/c1cccc(Br)c1)C1CCCC1	328578765	VMVXIHUIEAOCTC-RIYZIHGNSA-N	276.177	4.546	50	20	CJGD	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)c1ccoc1	798230624	TUHVALPNGXLFDI-UNOMPAQXSA-N	299.329	4.736	50	20	CJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)[C@H](C)CCC)cc1	741468773	HRKIKJLOKOXBRP-WIZMWCRPSA-N	299.414	4.778	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	741473298	GSUXJPROPHAVLN-GJSJWPQCSA-N	295.304	4.618	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2)c1C	727654339	BWGWAIMWICAJEB-OQLLNIDSSA-N	295.769	4.747	50	20	CJGD	
CCSc1cccc(/C=C(\C#N)C(=O)C(C)(C)CC)c1	794874614	MJNADNOHIIKERQ-GXDHUFHOSA-N	287.428	4.711	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	255883353	SVAIKHJUQZCMEG-RIYZIHGNSA-N	268.385	4.639	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1C	727654491	GQEHPKQXITXVDK-XNTDXEJSSA-N	295.769	4.747	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1F	731489734	LBUQXISPZXTWSG-SXGWCWSVSA-N	293.341	4.541	50	20	CJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1	921265451	GHMCDDGESJMDTL-SXGWCWSVSA-N	295.769	4.747	50	20	CJGD	
CCCCCCCC(C)=NNC(=O)c1ccccc1Cl	1115815649	QTTGQSZIAOXLKI-UHFFFAOYSA-N	294.826	4.806	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1coc2ccccc12	1116334041	UAMLGFCLEVEGTA-GXDHUFHOSA-N	287.318	4.531	50	20	CJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1	48325458	HJNAZNKADAJNTL-LCYFTJDESA-N	299.420	4.568	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	48639548	JKHXTCXQLMIHQN-RIYZIHGNSA-N	281.380	4.547	50	20	CJGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)c1ccoc1	798230627	TUHVALPNGXLFDI-XDHOZWIPSA-N	299.329	4.736	50	20	CJGD	
CCc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	844273088	ZZERHAIQJMWZTH-OQLLNIDSSA-N	280.396	4.647	50	20	CJGD	
CCC(=NNC(=O)c1cc2ccccc2o1)C1CCCCC1	749824022	UQKONVKMKDLSDC-UHFFFAOYSA-N	298.386	4.509	50	20	CJGD	
C=CCCC(CCC)=NNC(=O)c1ccc2ccccc2c1	814810184	BHIZRIZIYHEWBU-UHFFFAOYSA-N	294.398	4.692	50	20	CJGD	
CCC1CCC(CBr)(O[C@@H](C)CC)CC1	50480041	FSAZRDYZOSJUAE-HIFPTAJRSA-N	277.246	4.535	50	20	CJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)C1CCCCC1	794874738	IYSPEQBXYBNLCU-GDNBJRDFSA-N	289.325	4.681	50	20	CJGD	
CC(=NNC(=O)c1ccc2ccccc2c1)C1CCCCC1	917546802	IJQNDKVEDZBOJE-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CC(/C=C(/C#N)C(=O)c1ccc(F)cc1)=C\c1ccccc1	212693298	ALRHAKZYLHONRF-YYMXQEISSA-N	291.325	4.562	50	20	CJGD	
CC(CC1CCCC1)=NNC(=O)c1ccc2ccccc2c1	752726414	GZPXRYJDFXQBRA-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(/C#N)c1nc(C)cs1	212643011	YHDKOVFOVZRYED-WQLSENKSSA-N	294.379	4.824	50	20	CJGD	
Cc1cccc(C)c1/C=C(/C#N)c1nc(C2CC2)cs1	843271807	GAQLLJCZCLNBSX-ZSOIEALJSA-N	280.396	4.702	50	20	CJGD	
CC[C@H]1CCCCC1=NNC(=O)c1cccc2ccccc12	779771828	KKSXRPFKXCNJOC-AWEZNQCLSA-N	294.398	4.526	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)c2cnc3ccccc3n2)c(C)c1	790231266	MVQFEOIZKFFXBS-YBEGLDIGSA-N	299.377	4.619	50	20	CJGD	
C=CCCC(CCC)=NNC(=O)c1cccc2ccccc12	814855581	OZLAYIZTUIWZIF-UHFFFAOYSA-N	294.398	4.692	50	20	CJGD	
CC[C@H](C)c1ccc(C(=O)NNc2cc(C)ccc2C)cc1	748415617	GABRPEGQLUUYSP-AWEZNQCLSA-N	296.414	4.574	50	20	CJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1	810215949	AIIZLRVTUXUEEK-MHWRWJLKSA-N	295.769	4.692	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2s1	758434188	NMDCGGLEVRHTGO-LQELWAHVSA-N	283.396	4.814	50	20	CJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1	918712877	CKOXIORNBAAXQM-XDHOZWIPSA-N	289.378	4.656	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	726428181	GUDQKZTXMLEPKO-BUBXLPKJSA-N	282.170	4.516	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1Cl	779713663	RMKMAACIZDWZRC-QPEQYQDCSA-N	288.803	4.786	50	20	CJGD	
CCCN(N=CC1CCCCCC1)C(=O)OC(C)(C)C	794996110	QZHXHJVMIXJNPC-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)cc2)s1	797398905	MPLQQFFUIBVZKX-XYOKQWHBSA-N	286.375	4.644	50	20	CJGD	
Cc1nc(/C(C#N)=C/C=C/c2ccc(F)cc2)sc1C	158849860	YVEWPWAMINAREH-ORRXZRLISA-N	284.359	4.519	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1	726427993	CIBMMZXIOHCBKS-LUYJPIOASA-N	293.366	4.777	50	20	CJGD	
Cc1ccc(C(=O)/C=C\c2cccc(CCl)c2)s1	799890482	NVEPKOWESSOKFO-SREVYHEPSA-N	276.788	4.691	50	20	CJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1ccc2ccccc2n1	1339513006	OZCHNFUJKOORCF-UYRXBGFRSA-N	296.373	4.788	50	20	CJGD	
CCCCCC[C@H](C)O[C@@H]1CCC[C@H]1Br	250828737	PEYYWGGZCGGBFA-YNEHKIRRSA-N	277.246	4.678	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1C	741469969	NPOMPBFINBLONI-VAKHEIKFSA-N	269.388	4.524	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1cccc(F)c1	773170219	JEHKTZMQLMVLRJ-HRBPJWPPSA-N	291.325	4.562	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761176023	HKDGDKMICCNKTG-MXBGMFSPSA-N	287.746	4.608	50	20	CJGD	
Cc1csc(SCCO[Si](C)(C)C(C)(C)C)n1	821063579	KAJWNGQZAMYQGC-UHFFFAOYSA-N	289.542	4.565	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)o1	7211497	QWEOLFSEVSOMLF-RVDMUPIBSA-N	293.366	4.675	50	20	CJGD	
CCCCCC[C@H](C)O[C@H]1CCC[C@@H]1Br	71125411	PEYYWGGZCGGBFA-AVGNSLFASA-N	277.246	4.678	50	20	CJGD	
CCCCCOC1(CBr)CCC(C)CC1	71125505	NSEZUXWXXXZHLH-UHFFFAOYSA-N	277.246	4.537	50	20	CJGD	
Cc1ccsc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398813	LFUYJIMVTOOSAT-YRNVUSSQSA-N	288.441	4.875	50	20	CJGD	
CCC(CC)(CCl)CCOCc1ccccc1	307714932	GHCGCNBBOCRQJC-UHFFFAOYSA-N	254.801	4.639	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1F	843266558	XKXIGOYZCMHZEE-AWNIVKPZSA-N	284.359	4.532	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccc(C)s1	729820719	XAGHWRUJAPNUPM-OAPQASQTSA-N	293.391	4.793	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(C)s2)cc1	212019323	KLSIQOGIBWLUQT-WJDWOHSUSA-N	295.407	4.799	50	20	CJGD	
N#CC(C#N)=CNc1cccc(CSC2CCCCC2)c1	735026863	DWPHENMLXRDNJR-UHFFFAOYSA-N	297.427	4.595	50	20	CJGD	
N#C/C(=C\c1cccc(C2CC2)c1)c1nc(C2CC2)cs1	843268203	GDZKNIRQIMDSIJ-CXUHLZMHSA-N	292.407	4.962	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccsc2Cl)sc1C	790219528	LJJICWYNIPSEBX-BJMVGYQFSA-N	280.805	4.539	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	726118471	MXOLAKBZMAVGBQ-KPKJPENVSA-N	296.197	4.906	50	20	CJGD	
CC[C@@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	734979721	KMHZBEYKKVKGHI-CQSZACIVSA-N	294.398	4.526	50	20	CJGD	
CCCCCOc1ccc(/C=C(\C#N)c2ccccn2)cc1	206088874	BALDKMAOLNHXBK-SAPNQHFASA-N	292.382	4.715	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	741468310	FBCXTPYXUAEDEQ-VSXLWIIGSA-N	295.304	4.618	50	20	CJGD	
CSc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)s1	840717224	SGLGABYLUANGKA-FMIVXFBMSA-N	291.441	4.526	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2C2CC2)s1	750817149	CTYGJJNYLGXINQ-GDNBJRDFSA-N	293.391	4.724	50	20	CJGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cccc2ccccc12	779771832	KKSXRPFKXCNJOC-CQSZACIVSA-N	294.398	4.526	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)CC(C)(C)C	918713363	JDMYWZMTONPINV-JLHYYAGUSA-N	295.382	4.907	50	20	CJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1	921265450	GHMCDDGESJMDTL-CXUHLZMHSA-N	295.769	4.747	50	20	CJGD	
O=C(CCCCl)c1ccc(C2CCCCC2)cc1	9237799	BVJCEGCOHKGUED-UHFFFAOYSA-N	264.796	4.936	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781548957	KCVDHEASOOIBOW-UVIKPUKZSA-N	295.354	4.523	50	20	CJGD	
ClCc1ccnc(-c2ccc3ccccc3c2)c1	98178561	NNYSRANMRXAHCL-UHFFFAOYSA-N	253.732	4.641	50	20	CJGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cccc2ccccc12	748252586	VUNDKKIWMSTRRZ-AWEZNQCLSA-N	296.414	4.772	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(Cl)c2)c1	918714302	SDBONWFSYOOVOJ-SXGWCWSVSA-N	295.769	4.747	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)CC(C)C	726119756	CQYAJQGSBBQRBK-JLHYYAGUSA-N	281.355	4.517	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(Cl)c1F	1319623655	TYIWOFOVHVVCGR-LCYFTJDESA-N	299.732	4.577	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1	767341133	RNQXDABNBNUOOI-LCYFTJDESA-N	293.757	4.589	50	20	CJGD	
COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1C	194526519	UWOVBTOBQQWRHN-VGOFMYFVSA-N	298.411	4.648	50	20	CJGD	
CCCCC(CC)=NNC(=O)c1cccc2ccccc12	741462706	LTIMRMXHNPBEIE-UHFFFAOYSA-N	282.387	4.526	50	20	CJGD	
CC[C@@H]1CCC[C@@H](OC2(CBr)CCCC2)C1	70564212	NAMXEXPNWILCQE-CHWSQXEVSA-N	289.257	4.680	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	726117619	APVFXHBFPOCNGK-BOPFTXTBSA-N	269.388	4.722	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	726120444	SCKNPEMWDAKXCH-IZZDOVSWSA-N	282.170	4.516	50	20	CJGD	
CCCN(N=C[C@H]1C(C)=CCC[C@@H]1C)C(=O)OC(C)(C)C	794997550	XRFFZFBTFIOMGV-GJZGRUSLSA-N	294.439	4.612	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	759083180	HQPGUVGHSFRNAK-XTCQQWIJSA-N	281.355	4.654	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)o1	760212402	XNBJKHGRICPLFM-JXMROGBWSA-N	298.342	4.655	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1	726119076	SZQMHQBDBOWJBB-DMAJYYCCSA-N	267.372	4.545	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	726120555	UAGIVVGAAZFXPJ-WDZFZDKYSA-N	282.170	4.516	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	726428120	FGNGMZLGZWIWAM-JPVKTXQWSA-N	289.378	4.876	50	20	CJGD	
Cc1ccccc1NCc1ccc(OCCCCl)cc1	811468163	FRKSPBWHZDQZJL-UHFFFAOYSA-N	289.806	4.615	50	20	CJGD	
CC(C)C[C@H](C)OC1(CBr)CCCCC1	50480559	UELFIWNRZIYWAE-LBPRGKRZSA-N	277.246	4.535	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(Cl)cs3)[nH]c12	780004178	HINWQBKNKOYQCW-BJMVGYQFSA-N	299.786	4.650	50	20	CJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1nc(C2CC2)cs1	1326292053	MMPJTOQJTBDNOS-SXGWCWSVSA-N	292.407	4.573	50	20	CJGD	
Cc1cc(C)cc(/C=C(/C#N)c2ccc3ccccc3n2)c1	921268687	DEYLGOUUOCAURR-PDGQHHTCSA-N	284.362	4.916	50	20	CJGD	
CCCC1CCC(CBr)(OC(C)(C)C)CC1	71125215	KGCSLNUPGZLYIH-UHFFFAOYSA-N	291.273	4.926	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	726118136	JEULMDAKBUITSE-JYRVWZFOSA-N	295.304	4.618	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccccc2Cl)c1C	727654523	HMVMJWYQWCLFBN-GDNBJRDFSA-N	295.769	4.747	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc2ccccc12	726118825	RBSWMTHELCCSPA-ATVHPVEESA-N	277.367	4.752	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)cc1	764892396	WXBWNOYTBFHYLC-FJTRLSIBSA-N	291.350	4.501	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl	766288830	MEAGPJZVCPERMJ-MDWZMJQESA-N	293.757	4.589	50	20	CJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	7350259	GLAZDQKLIRFARH-GZTJUZNOSA-N	293.341	4.739	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794874607	MILOBNKWTSZEDK-LCYFTJDESA-N	277.314	4.536	50	20	CJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)s1	731158497	BHXFMINZJQSEOQ-GXDHUFHOSA-N	295.407	4.717	50	20	CJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)s1	731158542	DEDFHOUABSMZHY-GDNBJRDFSA-N	295.407	4.717	50	20	CJGD	
C=C(C)c1nc(CO[Si](C)(C)C(C)(C)C)cs1	864540514	IZMMXGTVMXOLNO-UHFFFAOYSA-N	269.486	4.698	50	20	CJGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)c1ccccn1	208760210	KHEGKMFORTURPQ-QINSGFPZSA-N	288.375	4.874	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2F)cc1	764886134	LRKZIWKGNUNCIL-NTEUORMPSA-N	299.732	4.577	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccccc2OCC(C)C)n1	834412319	AIJLNZHPCNTYTG-OVCLIPMQSA-N	298.411	4.551	50	20	CJGD	
CC(C)=CCC/C(C)=C\C=NN(C)C(=O)OC(C)(C)C	920380629	CJVYODSYLBUZJN-WKKPQSEESA-N	280.412	4.532	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccccc1C1CC1	1319412542	NBIPNRSSYGFUIJ-ATVHPVEESA-N	287.362	4.662	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	741467945	BFKUMGVOIIELIK-KAQJVSAMSA-N	295.304	4.618	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cscc2Cl)s1	771836691	DKDOOZAFBFMUIP-RUDMXATFSA-N	293.800	4.561	50	20	CJGD	
CC[C@H]1CCC[C@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950087	KLEQEHKMLWDYCN-DZGCQCFKSA-N	270.489	4.546	50	20	CJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)C1CCCC1	781555423	JDPFPMRRWYCSDU-LDADJPATSA-N	275.351	4.506	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917146306	JGJZYQZPUDACBL-AQTBWJFISA-N	284.362	4.861	50	20	CJGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)C1CCCCC1	782196635	GEGNJVUNWWUZAH-JYRVWZFOSA-N	291.753	4.535	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc2ccccc12	7211000	ZEAGYHITCYQVLD-QGOAFFKASA-N	297.357	4.938	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc(C)c2C)c1	731159149	NZZXEKBWQBSFFE-YBFXNURJSA-N	289.378	4.710	50	20	CJGD	
BrCC1(CCOCc2ccccc2)CCCC1	306780999	BIAPSBSSTMCNDY-UHFFFAOYSA-N	297.236	4.549	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(Cl)cs1	195228051	YOOXKDJEBDCQJG-WTKPLQERSA-N	293.800	4.561	50	20	CJGD	
CC(C)C[C@H](CBr)CCOCc1ccccc1	307395277	NEVBVCHSEPCCEM-OAHLLOKOSA-N	299.252	4.651	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1C	727654489	GQEHPKQXITXVDK-GDNBJRDFSA-N	295.769	4.747	50	20	CJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)C2CCCCC2)c1	767715923	ZQVQUAAUXRPNFE-SFQUDFHCSA-N	297.398	4.532	50	20	CJGD	
O=C(/C=C\c1cccc(CCl)c1)c1cc(F)ccc1F	799890430	LPXHLNIDVVRIPA-DAXSKMNVSA-N	292.712	4.600	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccccc1F	212674591	DSLRAWJGGWDLMF-ILYHAJGMSA-N	291.325	4.562	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1csc2ccccc12	741469182	KCNSUQGPEFDSBT-OQZOHAQUSA-N	283.396	4.814	50	20	CJGD	
CCCC[C@H](CC)CO[C@@H]1CCCC[C@@H]1Br	71125361	MATJFHBYRWNYMD-MELADBBJSA-N	291.273	4.926	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(F)c2F)n1	176918907	WLJKECRQBVSXDX-IZZDOVSWSA-N	290.338	4.609	50	20	CJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)[C@@H](C)CCC)cc1	741468770	HRKIKJLOKOXBRP-SUCHYCSPSA-N	299.414	4.778	50	20	CJGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)c2ccncn2)c1	758917592	XJRFYKHFTZFSEN-PDGQHHTCSA-N	297.361	4.516	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc2ccccc12	794875403	UYUFTHPTRCDVLM-FOWTUZBSSA-N	277.367	4.752	50	20	CJGD	
Cc1cccc(NCc2ccc(OCCCCl)cc2)c1	811468320	LPQPIQOOHYRCBJ-UHFFFAOYSA-N	289.806	4.615	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	726120280	OPTXBHWABKGHIV-RVDMUPIBSA-N	269.388	4.506	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	741470145	QMVPULYPONODHE-YIVIPITNSA-N	296.197	4.906	50	20	CJGD	
C[C@@H](CCO)Nc1cccc(S(F)(F)(F)(F)F)c1	762785293	FDEIXEQYSMOYLU-QMMMGPOBSA-N	291.285	4.527	50	20	CJGD	
C[C@H]1CCC[C@](CBr)(OC2CCCCC2)C1	71125236	XZBWIHLGBMREKG-JSGCOSHPSA-N	289.257	4.680	50	20	CJGD	
CC(C)CCCO[C@]1(CBr)CCC[C@@H](C)C1	71125387	WQBYMQLWJVBDEA-ZIAGYGMSSA-N	291.273	4.783	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730148700	JXZFLKJGNKFRGM-MDWZMJQESA-N	294.354	4.808	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cc(Cl)cs2)sc1C	782343774	XLIZIKBFSKCVTM-YCRREMRBSA-N	280.805	4.539	50	20	CJGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc(C(C)C)cs1	588394142	GEOCHXJFLPJHCP-MLPAPPSSSA-N	286.375	4.778	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc2ccccc2n1C	51104347	BWFDMOCLOFPOSC-AYCYWLMJSA-N	299.377	4.584	50	20	CJGD	
C[C@H](CBr)c1cc(F)c(Cl)cc1Cl	85663555	JUTWYFJAVNZKDV-RXMQYKEDSA-N	285.971	4.631	50	20	CJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)c1ccccc1	810193508	GZNFAJQADSWSIS-UVTDQMKNSA-N	289.359	4.691	50	20	CJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)C1CCCCC1	776720031	GCAAXMUMAXZEQT-AWNIVKPZSA-N	291.753	4.535	50	20	CJGD	
CCCCCC(C)=NNC(=O)c1ccc(C(C)(C)C)cc1	818237797	BAHXKONEIMXBRO-UHFFFAOYSA-N	288.435	4.670	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	726120278	OPTXBHWABKGHIV-PTNGSMBKSA-N	269.388	4.506	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cc3cc(F)ccc3o2)sc1C	741840590	ABDHSKWQWWIQNF-KPKJPENVSA-N	298.342	4.709	50	20	CJGD	
CCCOC1(CBr)CCC(C(C)(C)C)CC1	71125204	PMOBAFQRZLDWPT-UHFFFAOYSA-N	291.273	4.783	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc3ccccc3c2)n1	211693745	FETWJWVKGIRWER-SXGWCWSVSA-N	276.364	4.669	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccn2C2CC2)s1	1118007320	SVXMMFJDDOIVIB-XFXZXTDPSA-N	297.427	4.641	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)s2)s1	255074825	JHRNLEPRJMYBFX-TWGQIWQCSA-N	293.800	4.561	50	20	CJGD	
CC[C@H](C)O[C@@H](CBr)c1cccc(Cl)c1	2016240	KMKOFKBXRUWRID-CABZTGNLSA-N	291.616	4.591	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	726430639	ZRMKEVMLEOYVKA-VQCBNXJZSA-N	297.398	4.530	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3ccccc3o2)cc1	764888880	ZSZGRKYCCBLZLJ-WJDWOHSUSA-N	287.318	4.531	50	20	CJGD	
CCCOc1ccc(/C=C(\C#N)c2nc(C)cs2)c(C)c1	849176687	TYVFWTTXOWENHK-OQLLNIDSSA-N	298.411	4.613	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cc3cc(C)c(C)cc3o2)n1	255286374	YHPSZAQBHLVHAB-VGOFMYFVSA-N	294.379	4.879	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)o1	760212411	XNBJKHGRICPLFM-YFHOEESVSA-N	298.342	4.655	50	20	CJGD	
CCCCCCC=NN(CCC)C(=O)OC(C)(C)C	794997333	XLASQGXOQXNSGV-UHFFFAOYSA-N	270.417	4.590	50	20	CJGD	
CC(/C=C(/C#N)C(=O)c1ccccc1F)=C\c1ccccc1	212674654	DSLRAWJGGWDLMF-YUTYINLDSA-N	291.325	4.562	50	20	CJGD	
Cc1cc(SC2CCCCC2)ccc1NC=C(C#N)C#N	748207665	JMQINOXTQKXPCA-UHFFFAOYSA-N	297.427	4.763	50	20	CJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)c1ccccn1	761182911	VJSBDMBUCHVANH-PKNBQFBNSA-N	280.714	4.545	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(F)cc2F)n1	255088322	OKCHXQCXRNOXDQ-WZUFQYTHSA-N	290.338	4.609	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccccc3C3CC3)[nH]c12	750818554	WIUYQTFGBSNXLO-WJDWOHSUSA-N	299.377	4.813	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	726119098	UZPWOBXNNVNWRT-FOWTUZBSSA-N	293.366	4.859	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	193746241	HTIFMLXZHPEUJC-AIDTXJDASA-N	297.379	4.563	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)CC(C)(C)C)cc1C	918714309	SGJVHMOFSTZDDY-CXUHLZMHSA-N	269.388	4.524	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1coc2ccccc12	255678618	FTLKYBABKDHKOY-WQLSENKSSA-N	293.347	4.593	50	20	CJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H]1c1cccs1	750599731	HOWPEQBLCDAAFC-LRQZKABGSA-N	298.386	4.589	50	20	CJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccsc2)cc1	212146308	BLOUAEAPJONYKQ-GDNBJRDFSA-N	295.407	4.835	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)c(C)c1	747436637	IDNYQXDAFMPBQN-OVCLIPMQSA-N	282.412	4.948	50	20	CJGD	
N#C/C(=C/c1cccs1)C(=O)c1cc2ccccc2s1	788331002	KQDSRRCHMQMKMG-WQLSENKSSA-N	295.388	4.753	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	726118167	JRSCWMRNFJIGAU-LFYBBSHMSA-N	296.197	4.906	50	20	CJGD	
Cn1c(/C(C#N)=C/c2ccccc2C2CC2)nc2ccccc21	750817101	CAHRPPDNHDPPPE-FOWTUZBSSA-N	299.377	4.515	50	20	CJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2ccccc2)c1	769718450	NCWUYRDOSXIIFD-WJDWOHSUSA-N	293.391	4.588	50	20	CJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)C1CCCC1	781556250	VZMBVCLGPUSXPO-WQLSENKSSA-N	294.181	4.660	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)s1	105605008	CJNRCEPGRHSFCV-OKBXIPFOSA-N	297.379	4.563	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2sccc2Cl)s1	195228364	GXLQAWMXKWSMID-RMKNXTFCSA-N	293.800	4.561	50	20	CJGD	
CSc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	741475107	VIEGPCNFYUVMEU-MDWZMJQESA-N	286.425	4.546	50	20	CJGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)C1CCCC1	781554247	JUMRYFHUUGKNBZ-KPKJPENVSA-N	294.181	4.660	50	20	CJGD	
CCCN(N=CC(CC)(CC)CC)C(=O)OC(C)(C)C	814927295	GPMWIUDIEDCDBJ-UHFFFAOYSA-N	284.444	4.836	50	20	CJGD	
N#C/C(=C/c1ccccc1C1CC1)c1cnc2ccccc2n1	790230467	AOIPTJFYNWPLPV-WJDWOHSUSA-N	297.361	4.571	50	20	CJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1ccccn1	20837172	XFYHVPCALGYXBG-SDNWHVSQSA-N	290.297	4.545	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccccc1C1CC1	750818581	WVBMNMWAXWMGHU-XNTDXEJSSA-N	293.391	4.724	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	741470094	QEUDSOPXDYSRMA-BZPKPHBRSA-N	296.197	4.906	50	20	CJGD	
CC(/C=C(/C#N)C(=O)c1ccc(C)cc1)=C\c1ccccc1	764922426	ZRWYPCRCKIOMGO-UBSBAQTRSA-N	287.362	4.731	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	741471312	YVBFCOLEGFFDFQ-MPMPPSQCSA-N	269.388	4.722	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)cc2Cl)n1	169968367	QJGQXQMRCWIKLD-WMZJFQQLSA-N	295.194	4.823	50	20	CJGD	
CC[C@](C)(CCl)CCCOCc1ccccc1	307077944	DTNDDJASIUTFTR-HNNXBMFYSA-N	254.801	4.639	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cccc(C(C)C)c2)n1	853003256	HFPBROCGXCTMGL-OVCLIPMQSA-N	268.385	4.639	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1F	83015594	NYECXIJMGOZQCR-QPEQYQDCSA-N	286.375	4.778	50	20	CJGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccc2ccccc2c1	807964488	JHPOYRJVYBPSKH-CQSZACIVSA-N	296.414	4.772	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(C(C)(C)C)cc2)n1	169970414	PUFMBZFJIFTWEL-ZROIWOOFSA-N	282.412	4.813	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	180438363	YNOQJZTXFMOBQQ-WQLSENKSSA-N	295.354	4.523	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	730150168	PHLIJNBJYYAUDE-BOPFTXTBSA-N	299.414	4.634	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1	747440187	QQOONOQCERYUDG-DHDCSXOGSA-N	282.412	4.893	50	20	CJGD	
CCCOc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	125416767	QOFJQRCQCNLSGT-GDNBJRDFSA-N	298.411	4.613	50	20	CJGD	
C=CCCCCCC(C)=NNC(=O)c1cc2ccccc2o1	789024662	XZTXEMOLIITXRG-UHFFFAOYSA-N	298.386	4.675	50	20	CJGD	
N#C/C(=C/c1cccc(Cl)c1)c1ccc2ccccc2n1	917146783	WAPIFIMAMYFRBC-GDNBJRDFSA-N	290.753	4.952	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	741469080	JPLQVNICOJMDPK-UBYNWHESSA-N	296.197	4.906	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccccc2C)c(C)c1	1317668727	VRQAGBVZBXADFG-BOPFTXTBSA-N	289.378	4.710	50	20	CJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)C(C)C)o1	114991531	LHVWDCXIALXHAQ-LCYFTJDESA-N	297.329	4.526	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2F)cc1	782197201	PDDMXCNRAVHRKV-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(C)o1	767887671	VMXYTEYAPWSGBB-WUXMJOGZSA-N	298.342	4.709	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	915992291	VYWWGUWJICBEOB-WJDWOHSUSA-N	291.350	4.611	50	20	CJGD	
Cc1cc(/C(C#N)=C/C=C\c2ccccc2)ccc1[N+](=O)[O-]	774560485	YXLGNZSWRXPKOB-ZOTODKCHSA-N	290.322	4.524	50	20	CJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)ccc1F	729150060	IKNKHFWHCQPZDP-MHWRWJLKSA-N	293.341	4.541	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccccc2OC(C)C)sc1C	741467049	JWDAYBLSELSSMJ-OQLLNIDSSA-N	298.411	4.611	50	20	CJGD	
CCCCCCCCCCCC(=O)N1CC=C(C#N)CC1	780688042	VXUZUGHEAXYOLG-UHFFFAOYSA-N	290.451	4.590	50	20	CJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)C1CCCC1	781555424	JDPFPMRRWYCSDU-PDGQHHTCSA-N	275.351	4.506	50	20	CJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)C1CCCC1	781555684	NSJLBBMKFILSPS-UVTDQMKNSA-N	281.380	4.568	50	20	CJGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)C1CCCCC1	782196645	GEGNJVUNWWUZAH-MDWZMJQESA-N	291.753	4.535	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	794875433	WBLOSWFREAFJGG-FMIVXFBMSA-N	295.304	4.618	50	20	CJGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	588424580	MFLAJSGRBGTPGO-TWGQIWQCSA-N	293.800	4.561	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccccc2C)cc1C	1317703122	VVNNTSIHNIQEBW-WQRHYEAKSA-N	289.378	4.710	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)c(C)o1	162506866	RCCLOBNZGRZGSD-AWNIVKPZSA-N	272.373	4.541	50	20	CJGD	
C[C@H]1CCC[C@@](CBr)(OCc2ccccc2)C1	110062274	DBXTVWKTMXEVJV-DZGCQCFKSA-N	297.236	4.547	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	726430656	ZVHICJVKNAAMBA-VUODPORTSA-N	289.378	4.876	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)CC(C)(C)C	759034614	JEHVWQMFMDZVIH-LCYFTJDESA-N	281.355	4.654	50	20	CJGD	
CC/C=C/CCOC(=O)CCCC[C@@H]1CCSS1	918509124	QIAXMFGBPLBBIM-ITDFMYJTSA-N	288.478	4.600	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc(OCC(C)C)cc2)n1	170953048	SSTRAMHWWUFQIW-OVCLIPMQSA-N	298.411	4.551	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	726429078	RWVHWIIUUBXSAW-IZCBMXNHSA-N	297.398	4.530	50	20	CJGD	
CC(C)[C@H](C)O[C@H]1CCCCCC[C@@H]1Br	158509495	XDFYSNDHPUQCMS-AVGNSLFASA-N	277.246	4.534	50	20	CJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)CC(C)C)oc2cc1C	749807960	RRLWHHPMJDASBM-OQLLNIDSSA-N	281.355	4.572	50	20	CJGD	
CCCCOc1ccccc1/C=C(\C#N)c1nc(C)cs1	184749673	BORTYAPIJJFILT-XNTDXEJSSA-N	298.411	4.695	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)C(CC)CC	726119130	VVKBJLQFANCGDX-KAMYIIQDSA-N	295.382	4.907	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C/C=C/c2ccccc2)c1C	727654993	QVJQUTHADPUCCA-DPLIRVHYSA-N	287.362	4.650	50	20	CJGD	
FS(F)(F)(F)(F)c1cccc(NCc2cc[nH]n2)c1	186496108	TYAYTSFCPWZEDR-UHFFFAOYSA-N	299.268	4.679	50	20	CJGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)c1ccccn1	54801687	XZXXQQIJCLNTSI-GDNBJRDFSA-N	288.375	4.874	50	20	CJGD	
CCCCCC(C)=NN(CCC)C(=O)OC(C)(C)C	794997161	PNOGPXSRIHPJNY-UHFFFAOYSA-N	270.417	4.590	50	20	CJGD	
Cc1ccsc1C(=O)/C=C/c1cccc(CCl)c1	799892434	IALPRPXOMYMUPD-AATRIKPKSA-N	276.788	4.691	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2ccccc2s1	794873524	FQPBFMXUZVSBST-JLHYYAGUSA-N	283.396	4.814	50	20	CJGD	
CCCCCCCCO[C@H]1CCC[C@H]1Br	109318311	IEFQHBGZFNNNKN-OLZOCXBDSA-N	277.246	4.680	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(-c3ccccc3)o2)n1	33471670	NARDRLRXCVPKRW-ZROIWOOFSA-N	292.363	4.776	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2coc3ccccc23)sc1C	746521197	XFFPIPKPPQCZNS-GHXNOFRVSA-N	280.352	4.570	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)s1	731159129	NKDQLUCIQZPFQG-SDNWHVSQSA-N	290.391	4.923	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2C2CC2)cc1	764891334	KXMKUPLEDXXMBM-PDGQHHTCSA-N	287.362	4.662	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cccc(C(C)C)c2)n1	853003255	HFPBROCGXCTMGL-NVNXTCNLSA-N	268.385	4.639	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)C(C)(C)C	7766713	SFUCSIBZEXWRRE-ZRDIBKRKSA-N	281.355	4.517	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	69008239	JQZUGKMKVPKWIJ-AMHNRXTASA-N	290.322	4.605	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	8117754	WANAPMBYSJHCEE-GSWOYPRGSA-N	291.350	4.501	50	20	CJGD	
CC(C)(C)O[C@@H](CBr)c1cccc(Cl)c1	50479979	NYLPBEAZHNYEIJ-NSHDSACASA-N	291.616	4.591	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	726429080	RWVHWIIUUBXSAW-QXPQOBGOSA-N	297.398	4.530	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	730148838	NANWSKODVBQYDO-JYRVWZFOSA-N	294.354	4.808	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	726428047	DHRXQCPGTJUXBW-CBFJXKFUSA-N	282.170	4.516	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccsc2)s1	797398583	ITWSSJSCQGCOIP-WDZFZDKYSA-N	274.414	4.566	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccc(F)cc2)c(C)c1	730588221	BWDSFIRESSRZPI-YBEGLDIGSA-N	293.341	4.541	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	726430652	ZVHICJVKNAAMBA-COYFKBPASA-N	289.378	4.876	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2)c1C	727654336	BWGWAIMWICAJEB-DHDCSXOGSA-N	295.769	4.747	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(F)c(F)c2)n1	255845642	LYTWUWDIWSHDFW-VZUCSPMQSA-N	290.338	4.609	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	767340926	KADURRHQLGKHPS-ZROIWOOFSA-N	298.729	4.621	50	20	CJGD	
C[C@H](O)CCNc1cccc(S(F)(F)(F)(F)F)c1	690182095	WQBXNECWYYDJSQ-QMMMGPOBSA-N	291.285	4.527	50	20	CJGD	
Cc1cccc(C)c1/C=C(/C#N)c1nc(C(C)C)cs1	755602665	XWZLIBIUZXZFOR-ZSOIEALJSA-N	282.412	4.948	50	20	CJGD	
CCCN(N=C1CCCCC1(C)C)C(=O)OC(C)(C)C	794993038	NYNFYHFWJOLPNY-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	766484697	PFBCEAKERXVAQX-ZSOIEALJSA-N	298.729	4.621	50	20	CJGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccccn1	5068222	IYBJIBFYXUISJO-XMHGGMMESA-N	282.346	4.813	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccccc2C)cc1C	1317703121	VVNNTSIHNIQEBW-WOJGMQOQSA-N	289.378	4.710	50	20	CJGD	
CCC(CC)(CBr)CCOCc1ccccc1	306727528	MQWKLRMQAUELBC-UHFFFAOYSA-N	299.252	4.795	50	20	CJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)C(CC)CC)c[nH]c12	726117942	GGIHUPFLIYMCCW-GDNBJRDFSA-N	294.398	4.643	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1C	735617387	ZCPOARGTBGTCRG-YBEGLDIGSA-N	287.366	4.552	50	20	CJGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)C1CCCCC1	767714062	OCZNEYGTJNDRGK-MDWZMJQESA-N	291.753	4.535	50	20	CJGD	
Cc1cccc2[nH]c(/C(C#N)=C/c3ccccc3Cl)nc12	5612674	VIZRWSKSYNZOBZ-UKTHLTGXSA-N	293.757	4.589	50	20	CJGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	735618498	AVWDGTSWTWHVLR-YBEGLDIGSA-N	287.366	4.552	50	20	CJGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843265954	QPNWPOVBNAVLMD-NVNXTCNLSA-N	280.396	4.702	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)cc(C)c1O	83015475	ZDELUTGEZNSNCW-AUWJEWJLSA-N	298.411	4.653	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(Cl)cc2F)sc1C	782201652	WSXHOLUWQGYTNF-VZUCSPMQSA-N	292.766	4.617	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	726119265	WGVRLRDPKIWPES-UKTHLTGXSA-N	295.304	4.618	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(F)c(-c2cccs2)c1	917560532	PWUAMHZKLQNWAJ-MDWZMJQESA-N	299.370	4.686	50	20	CJGD	
Cc1ccsc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398805	LFUYJIMVTOOSAT-XFFZJAGNSA-N	288.441	4.875	50	20	CJGD	
C[C@@H]1CC[C@H](OC2(CBr)CCCC2)C[C@H]1C	251829739	NIUFZJXCAZRHAW-UPJWGTAASA-N	289.257	4.535	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	255549115	HTUHZTTYRPSMBB-RIYZIHGNSA-N	268.385	4.639	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	794874402	KXYDDIXRCUPJQK-JLHYYAGUSA-N	281.355	4.654	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	1318157491	QKQVAWVCKZPQTB-WZMONFQBSA-N	295.407	4.937	50	20	CJGD	
CC[C@H](C)O[C@@H](CBr)c1ccc(Cl)cc1	2016207	UTCJQORVQSCRJO-CABZTGNLSA-N	291.616	4.591	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3n2)ccc1F	729151486	WYFDGKPBPWWEQP-WJDWOHSUSA-N	288.325	4.747	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1Cl	779713590	PZJLEGHWEZLFGX-NTEUORMPSA-N	298.729	4.621	50	20	CJGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)c1ccco1	8200483	GQJWKVRZPSJUHJ-QGOAFFKASA-N	299.329	4.736	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	741473303	GSUXJPROPHAVLN-VSXLWIIGSA-N	295.304	4.618	50	20	CJGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc(C2CC2)cs1	843264792	KACVJUBEQGZZQD-NTUHNPAUSA-N	284.359	4.532	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccccc1C	7211046	INMOTOMAGCWEMY-PYEASBQRSA-N	287.362	4.731	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	6341094	CZXVONYQLRXQFW-UXBLZVDNSA-N	282.170	4.516	50	20	CJGD	
CCCCCC[C@H](C)O[C@@H]1CCC[C@@H]1Br	71125407	PEYYWGGZCGGBFA-RWMBFGLXSA-N	277.246	4.678	50	20	CJGD	
Cc1cc(F)ccc1/C=C(\C#N)c1ccc2ccccc2n1	750912144	CUMOLNCECZDQLK-LFIBNONCSA-N	288.325	4.747	50	20	CJGD	
Cc1cc(/C(C#N)=C/C=C/c2ccccc2)ccc1[N+](=O)[O-]	774560484	YXLGNZSWRXPKOB-BDKUJZOCSA-N	290.322	4.524	50	20	CJGD	
N#C/C(=C\c1cc(F)cc(F)c1)c1ccc2ccccc2n1	755588813	VMAMAPVIHXVTKL-VGOFMYFVSA-N	292.288	4.577	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)[C@@H](C)CC	726429297	SHQIXBAYIJRNFO-CVCOIXHCSA-N	281.355	4.517	50	20	CJGD	
Cc1nc(/C(C#N)=C/C=C\c2ccc(F)cc2)sc1C	747694525	YVEWPWAMINAREH-WGAAECHPSA-N	284.359	4.519	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1C	917144342	GSUFZBPYOHZOOC-LDADJPATSA-N	284.362	4.916	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc2ccccc12	726118826	RBSWMTHELCCSPA-SFQUDFHCSA-N	277.367	4.752	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	726428182	GUDQKZTXMLEPKO-SYUPGTOSSA-N	282.170	4.516	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	915989679	FXIQJISIUXMWAN-MHWRWJLKSA-N	295.407	4.970	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc2ccccc2c1	7714440	SJEHWLYDZZZEMG-GZTJUZNOSA-N	287.318	4.531	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@@H]2C)o1	211994418	WANAPMBYSJHCEE-WXSNUNSHSA-N	291.350	4.501	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	741468309	FBCXTPYXUAEDEQ-NASPGAHYSA-N	295.304	4.618	50	20	CJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1nc2ccccc2[nH]1	794865486	IPOVPDYMDCYIRI-UKTHLTGXSA-N	295.292	4.565	50	20	CJGD	
CC[C@H](C)c1ccc(-c2csc(/C(C#N)=C(\C)N)n2)cc1	806552929	BRYNCFVGWNMNFP-NUFCYMDASA-N	297.427	4.537	50	20	CJGD	
C/C=C\C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	690182133	XTCKRMHZTRYRTK-RQOWECAXSA-N	287.253	4.859	50	20	CJGD	
N#C/C(=C/c1ccc(C2CCCC2)cc1)c1ccccn1	812239721	CBRXLJSGXIKXBZ-AQTBWJFISA-N	274.367	4.803	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917146855	YMGAYEVVFRSUTM-ATVHPVEESA-N	270.335	4.607	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc2ccccc2c1	918713385	JWLBTEOMXAGZSO-GZTJUZNOSA-N	277.367	4.752	50	20	CJGD	
CCc1cc(C#N)ccc1CO[Si](C)(C)C(C)(C)C	328578177	CCSRQNPOJUSRBP-UHFFFAOYSA-N	275.468	4.642	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	726430635	ZRMKEVMLEOYVKA-DSQDWWTGSA-N	297.398	4.530	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	741473300	GSUXJPROPHAVLN-KWJWQAOWSA-N	295.304	4.618	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	741472609	CHFMQZCELPVDRO-QJISPJEISA-N	299.414	4.634	50	20	CJGD	
CCCCCCC(C)=NNC(=O)c1ccc2ccccc2c1	917547198	MVQSCVKUBMKPJS-UHFFFAOYSA-N	296.414	4.916	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccccc2C(F)(F)F)n1	5576321	LXMDSCVOBSUHIH-IZZDOVSWSA-N	294.301	4.535	50	20	CJGD	
CCCCc1oc2ccccc2c1/C=C(\C#N)C(=O)C(C)C	915989671	BRCIXAPZSYVIHR-SDNWHVSQSA-N	295.382	4.907	50	20	CJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1	730149141	CBGNEIQEEDQAJX-YBEGLDIGSA-N	299.414	4.634	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(C)ccc2F)c1	734980445	JCYBNEXJHGOFKH-YVLHZVERSA-N	293.341	4.541	50	20	CJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	777872597	XMBLGLFLMAZAPX-AUWJEWJLSA-N	299.732	4.577	50	20	CJGD	
BrCC1(OCC2CCCCC2)CCCCC1	71125530	SQNBYZYYAQUZLU-UHFFFAOYSA-N	289.257	4.681	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C/c1csc2ccccc12	73692860	NNWKBAHEGVDCAV-XYOKQWHBSA-N	293.347	4.593	50	20	CJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	915989543	JMRXDHUOQXJEDU-SXGWCWSVSA-N	281.380	4.661	50	20	CJGD	
CC(C)CCCO[C@@]1(CBr)CCC[C@H](C)C1	71125392	WQBYMQLWJVBDEA-KBPBESRZSA-N	291.273	4.783	50	20	CJGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	179607507	BNPAWICETBVAQJ-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	753683116	NBNKRLNQTDIPON-VKRGWIQLSA-N	282.170	4.516	50	20	CJGD	
COc1cc(C)ccc1/C=C(/C#N)c1nc(C(C)C)cs1	834429957	BDMWWQGXRYDEED-ZSOIEALJSA-N	298.411	4.648	50	20	CJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1	734979707	CLFRHMZOPBQBHS-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1	781555079	CBTIHKHAVJJFNZ-GHXNOFRVSA-N	294.181	4.660	50	20	CJGD	
C[C@@H]1CCC[C@](CBr)(OCc2ccccc2)C1	110062278	DBXTVWKTMXEVJV-HIFRSBDPSA-N	297.236	4.547	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	726430494	ZBCDYXNJPILLER-JMRXEAOASA-N	269.388	4.506	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(Cl)s1	44028397	KJZAKIBXBFRINX-TWGQIWQCSA-N	293.800	4.561	50	20	CJGD	
C[C@@H]1CCC[C@@](CBr)(OCC2CCCC2)C1	85489521	XJLXZUNLBWJURU-TZMCWYRMSA-N	289.257	4.537	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	917517176	KMAZPJVQCYYJMJ-NTEUORMPSA-N	295.407	4.937	50	20	CJGD	
Cc1cc(C)cc(/C=C(\C#N)c2ccc3ccccc3n2)c1	921268683	DEYLGOUUOCAURR-LDADJPATSA-N	284.362	4.916	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	6824963	KYDIPVQCOJQUCV-SDNWHVSQSA-N	269.388	4.506	50	20	CJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1C	731156211	AWWBNNWMYVGASQ-SXGWCWSVSA-N	295.769	4.747	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)c2nc(C)c(C)s2)cc1C	741473128	GKARCTRNLYHYBY-LZYBPNLTSA-N	282.412	4.749	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc(C)c(C)s2)c(C)c1	741472959	DDGGXKYCBPCCAN-NVNXTCNLSA-N	282.412	4.749	50	20	CJGD	
CCC[C@H](CCl)CCCOCc1ccccc1	307562600	ZXPLPUGZJJFDAZ-AWEZNQCLSA-N	254.801	4.639	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761385376	LYMYBUZRTGXBRI-OJKBXMANSA-N	288.199	4.577	50	20	CJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)C1CCCCC1	767712730	FODXLTKLQCHPPS-GXDHUFHOSA-N	297.329	4.628	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	794874265	KAHCKPGBELKZMY-WQLSENKSSA-N	295.304	4.618	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	1325836852	SLPIAKUWYVWZAP-AWNIVKPZSA-N	299.732	4.577	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)cccc2Cl)cc1	764891648	LYNWLYXOMGJIQM-UKTHLTGXSA-N	299.732	4.577	50	20	CJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)C1CCCC1	781553049	IJWDHKAOEHINMD-LFYBBSHMSA-N	294.181	4.660	50	20	CJGD	
Cc1sccc1/C=C(\C#N)c1nc(C(C)C)cs1	295772507	BWOAXQZWZNMSMS-WUXMJOGZSA-N	274.414	4.701	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)cs2)s1	588600883	UILLHIRFOSIFTB-RUDMXATFSA-N	293.800	4.561	50	20	CJGD	
CCCc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)s1	857202140	LDWZUAMMNVPTJL-WQLSENKSSA-N	288.441	4.838	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(C)c1	735619161	JOWMJTQLMHLDDQ-YBEGLDIGSA-N	287.366	4.552	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1Cl	766288967	GPFDGGNHQPEDIG-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2)o1	726427992	CIBMMZXIOHCBKS-HNDQUVLASA-N	293.366	4.777	50	20	CJGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc(C(C)C)cs2)c1	747440785	WHGQSKUYHLTSLK-OVCLIPMQSA-N	282.412	4.948	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2sccc2Cl)sc1C	782341422	JDJYKDYDEJQMTR-UITAMQMPSA-N	280.805	4.539	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	726119787	DJARXSQPPVDIEZ-YFHOEESVSA-N	282.170	4.516	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	794874405	KXYDDIXRCUPJQK-RAXLEYEMSA-N	281.355	4.654	50	20	CJGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	48417586	MKBLAWUQMZMAEY-UKTHLTGXSA-N	293.347	4.593	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	210571842	KYDIPVQCOJQUCV-KAMYIIQDSA-N	269.388	4.506	50	20	CJGD	
C[C@H]1CC(C)(C)C[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950039	HVQXXSSSESKGAI-XJKSGUPXSA-N	284.516	4.792	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1Cl	779713662	RMKMAACIZDWZRC-NTUHNPAUSA-N	288.803	4.786	50	20	CJGD	
N#C/C(=C\c1ccc(C2CC2)cc1)c1nc(C2CC2)cs1	843264239	HFGLAWAMGAQWOU-CXUHLZMHSA-N	292.407	4.962	50	20	CJGD	
CCCOc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	125444484	NMAGKOBBSDWPOV-DHDCSXOGSA-N	298.411	4.613	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	588419399	YNOQJZTXFMOBQQ-XYOKQWHBSA-N	295.354	4.523	50	20	CJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)C(C)(C)C)o2)cc1	915982622	PQYZVXIRYPKRTP-RVDMUPIBSA-N	293.366	4.777	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cscc2Cl)sc1C	771860061	PJGJRJBYDATWIK-YCRREMRBSA-N	280.805	4.539	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@H]2C)o1	1317709795	WANAPMBYSJHCEE-SRRLQIGMSA-N	291.350	4.501	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccccc1C	212129364	INMOTOMAGCWEMY-MIXLFBTASA-N	287.362	4.731	50	20	CJGD	
Cc1cccc(C(=O)/C(C#N)=C/C=C\c2ccccc2)c1C	727654992	QVJQUTHADPUCCA-DJTSINKDSA-N	287.362	4.650	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccc(C)s1	729820720	XAGHWRUJAPNUPM-OBHNZGETSA-N	293.391	4.793	50	20	CJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)C1CCCCC1	767714443	PMBPYPDPZNHJDS-SFQUDFHCSA-N	279.383	4.620	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cccc(OC(C)(C)C)c2)n1	864365460	UNYZXTBNZZQLTQ-ZSOIEALJSA-N	298.411	4.693	50	20	CJGD	
CCCCCC(C)=NNC(=O)c1ccc2ccccc2c1	917546798	IFOICHFHODBSCM-UHFFFAOYSA-N	282.387	4.526	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1F	83015693	DXEREESXXJWFCA-MLPAPPSSSA-N	286.375	4.778	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	588410036	ZAKOLTQRTPCSEF-QBFSEMIESA-N	295.338	4.594	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797397999	CZKBFQJEGSGXSH-NTEUORMPSA-N	282.412	4.813	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1C	747440077	OINXLUASJRUCMP-NVNXTCNLSA-N	282.412	4.948	50	20	CJGD	
C=CC[C@@H](CBr)CCCOCc1ccccc1	307307605	MPLUMEYEAVNXBK-CQSZACIVSA-N	297.236	4.571	50	20	CJGD	
O=C(/C=C\c1cccc(CCl)c1)c1cccc(F)c1F	799892860	SQGVLCZPHUKVGK-FPLPWBNLSA-N	292.712	4.600	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C)cc2C)c1	918713920	PDPZCXXGBYUSQJ-ODLFYWEKSA-N	289.378	4.710	50	20	CJGD	
Cc1cc(/C(C#N)=C\c2ccc(Cl)cc2)ccc1[N+](=O)[O-]	774560153	WGYOWMSCHKEEIG-ZROIWOOFSA-N	298.729	4.621	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@@H]2C)o1	55040727	HTIFMLXZHPEUJC-CDDNCNDGSA-N	297.379	4.563	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	726430506	ZBCDYXNJPILLER-WZMONFQBSA-N	269.388	4.506	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccsc2Cl)sc1C	790219529	LJJICWYNIPSEBX-YHYXMXQVSA-N	280.805	4.539	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1C	741469967	NPOMPBFINBLONI-NJPLLEPOSA-N	269.388	4.524	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)s1	797399652	VJLPWEDCLRRRDB-YRNVUSSQSA-N	288.441	4.875	50	20	CJGD	
Cc1cc2cc(/C=C(/C#N)c3ccccn3)oc2cc1C	255313485	CKUAYCKOEAQXJS-GDNBJRDFSA-N	274.323	4.509	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C)c(C)c2)c1	918714535	ZBYCOQRFUMELQT-ODLFYWEKSA-N	289.378	4.710	50	20	CJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)ccc1F	729151249	VAXNVEDPGVGLOX-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)c1cccc(F)c1	772171591	KMJIBUMUEAQHID-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)s1	774559458	SCDRRFFMAKUSTO-UKTHLTGXSA-N	298.367	4.591	50	20	CJGD	
Cc1ccsc1/C=C(\C#N)c1nc(C(C)C)cs1	176918511	VFQSESUWBOWQNH-IZZDOVSWSA-N	274.414	4.701	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2s1	758434189	NMDCGGLEVRHTGO-XTCQQWIJSA-N	283.396	4.814	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccccc2F)cc1	207908509	FOAFMJZQUSXYOQ-ATVHPVEESA-N	293.341	4.568	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c(C)c1	727655497	VJSQCUBEEFOCSR-WQRHYEAKSA-N	289.378	4.710	50	20	CJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)C1CCCC1	781552609	AQHCSLTZDVIWRA-VBKFSLOCSA-N	291.350	4.613	50	20	CJGD	
CCCN(N=C[C@@H]1C(C)=CCC[C@@H]1C)C(=O)OC(C)(C)C	794997552	XRFFZFBTFIOMGV-LSDHHAIUSA-N	294.439	4.612	50	20	CJGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)c1ccccc1	5810747	CUHDXUGRLHCEBO-AQTBWJFISA-N	283.330	4.630	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	726430303	XXSHHZDNQMCQRI-VKRGWIQLSA-N	282.170	4.516	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(CC(C)C)cc2)n1	755032425	OKLYHKTWVUJFRM-SXGWCWSVSA-N	282.412	4.714	50	20	CJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	48833227	SOMCMJXSQDCESM-MHWRWJLKSA-N	269.388	4.722	50	20	CJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	83260310	OXKNKTJWGGMXDI-PDGQHHTCSA-N	275.351	4.600	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3occc3c2)cc1	794692187	UDPBTMAOBXAVRR-GZTJUZNOSA-N	287.318	4.531	50	20	CJGD	
CCCN(N=C1CCC(CC)CC1)C(=O)OC(C)(C)C	794996006	NLMXFOXZXKPFLY-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797398245	FNRNNNOATGYDOI-NTEUORMPSA-N	282.412	4.813	50	20	CJGD	
Cc1sccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	834441770	USJRYFDMHFITDN-KPKJPENVSA-N	288.441	4.875	50	20	CJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1	734979695	CLFRHMZOPBQBHS-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)s1	747438985	BIKKZSSDVFLJHB-YRNVUSSQSA-N	288.441	4.955	50	20	CJGD	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)c1ccco1	212648569	GQJWKVRZPSJUHJ-AQTBWJFISA-N	299.329	4.736	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1C	301400143	SPHWFZRATZEEOX-YVLHZVERSA-N	292.338	4.584	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	1318157489	QKQVAWVCKZPQTB-WDGDVPDHSA-N	295.407	4.937	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccccc1	759035268	NMOIBQDPNDPSPH-RVDMUPIBSA-N	287.318	4.531	50	20	CJGD	
N#C/C(=C\c1cccs1)c1nc2cc(F)ccc2s1	730150071	GSYTTYJJTUKJNW-RMKNXTFCSA-N	286.356	4.561	50	20	CJGD	
Cc1ccccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730150438	JAWUMCMLTRYRMS-JYRVWZFOSA-N	294.354	4.808	50	20	CJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)C1CCCCC1	767714442	PMBPYPDPZNHJDS-ATVHPVEESA-N	279.383	4.620	50	20	CJGD	
FC(F)CNCc1cccc(S(F)(F)(F)(F)F)c1	922121798	CCFVORVWUMGSGQ-UHFFFAOYSA-N	297.239	4.699	50	20	CJGD	
CCOc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)c(C)c1	849245476	RUHGMDQJHHMPLT-OQLLNIDSSA-N	298.411	4.531	50	20	CJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)C1CCCCC1	767714382	PCWYHGKKRSJBJA-MDWZMJQESA-N	291.753	4.535	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	726428586	ANULPJDZMCZXGU-ISAHRAOESA-N	282.170	4.516	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	779705048	YKYIMOHSEHWPAW-KECPUOCWSA-N	295.338	4.594	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	741475303	XSTXOHBMBGITAV-MJWAUXSNSA-N	296.197	4.906	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)s1	774559457	SCDRRFFMAKUSTO-LCYFTJDESA-N	298.367	4.591	50	20	CJGD	
Cc1ccccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398961	NEQSYIHLROLOKL-ZROIWOOFSA-N	282.412	4.813	50	20	CJGD	
CCCCO[C@H](CBr)c1cccc(Cl)c1	50479861	PKVWVMMQRJSDHI-GFCCVEGCSA-N	291.616	4.593	50	20	CJGD	
CC[C@@H](C)OC1(CBr)CCC(C(C)C)CC1	71125222	DJMKMEGYACILQH-IYXRBSQSSA-N	291.273	4.781	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	726429558	UXLLBPALQCKQMV-LQELWAHVSA-N	297.329	4.608	50	20	CJGD	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	915990301	ZQIWFXKREJLMSZ-XNTDXEJSSA-N	295.407	4.835	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccccc2)s1	797399229	QHQULPKFTBEUFQ-UKTHLTGXSA-N	268.385	4.505	50	20	CJGD	
Cc1ccccc1NC(=O)CCCC[C@H]1CCSS1	33980585	HDDMBJPTQWJDGG-ZDUSSCGKSA-N	295.473	4.648	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	1248407609	ZNHCXYXBHPBKOB-LDADJPATSA-N	289.378	4.908	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cc3cc(C)c(C)cc3o2)n1	178706213	YHPSZAQBHLVHAB-AUWJEWJLSA-N	294.379	4.879	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	726119099	UZPWOBXNNVNWRT-VBKFSLOCSA-N	293.366	4.859	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)[C@@H](C)CC	726429304	SHQIXBAYIJRNFO-IXJPEXDMSA-N	281.355	4.517	50	20	CJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccccc1	728155148	DIDLGAZAPFQIHS-OAHLLOKOSA-N	286.419	4.543	50	20	CJGD	
COc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1C	747439791	OKCGIDRMNSJGLP-RIYZIHGNSA-N	298.411	4.648	50	20	CJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)C1CCCCC1	776720032	GCAAXMUMAXZEQT-MLPAPPSSSA-N	291.753	4.535	50	20	CJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)C(C)C)o1	172044092	LHVWDCXIALXHAQ-UKTHLTGXSA-N	297.329	4.526	50	20	CJGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc(C(C)C)cs2)c1	747440783	WHGQSKUYHLTSLK-NVNXTCNLSA-N	282.412	4.948	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1cnc2ccccc2n1	790227922	OLXCVMJXEIVYBF-OZFCMSLCSA-N	297.361	4.640	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc2ccccc2c1	794875438	WCWUTJKINZGWKF-SFQUDFHCSA-N	277.367	4.752	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	741470142	QMVPULYPONODHE-IUIMMGEKSA-N	296.197	4.906	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc2ccccc12	794873546	FTDWLSKYMDERFE-XFXZXTDPSA-N	283.396	4.814	50	20	CJGD	
CC(C)CCCO[C@@]1(CBr)CCC[C@@H](C)C1	71125390	WQBYMQLWJVBDEA-KGLIPLIRSA-N	291.273	4.783	50	20	CJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1	748366408	PWHRXSNHOFGMSN-OAHLLOKOSA-N	296.414	4.574	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1	764892398	WXBWNOYTBFHYLC-NRXCIGNBSA-N	291.350	4.501	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(C(F)F)cc2)sc1C	794942185	KEWDYTSHCVYYKP-QPEQYQDCSA-N	290.338	4.762	50	20	CJGD	
Cc1cc(C(=O)/C=C\c2cccc(CCl)c2)oc1C	799897844	SSDIOWDZYXYURO-SREVYHEPSA-N	274.747	4.531	50	20	CJGD	
N#C/C(=C/c1cccc(C2CC2)c1)c1nc(C2CC2)cs1	843268205	GDZKNIRQIMDSIJ-SXGWCWSVSA-N	292.407	4.962	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)s1	105605011	CJNRCEPGRHSFCV-NGJQAGNDSA-N	297.379	4.563	50	20	CJGD	
CC(C)[C@H](CBr)CCCOCc1ccccc1	307621006	OOWZTMWAOODZSP-HNNXBMFYSA-N	299.252	4.651	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	726117709	BNCBRDGIVWJPOL-UKTHLTGXSA-N	295.304	4.618	50	20	CJGD	
CSc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	843271997	GZEXQMSPTYFEQG-JYRVWZFOSA-N	298.436	4.807	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cccc(Cl)c2Cl)n1	8079334	JOYSBPRKSLDTTG-BJMVGYQFSA-N	295.194	4.823	50	20	CJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)c1	773155184	SIEMMQHNVDSSMO-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cccnc2)CC1	741469979	OAKLXOOHGSBYGP-LDADJPATSA-N	296.414	4.554	50	20	CJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1ccccc1	917516897	DJLBHHLXZQQHOE-GHRIWEEISA-N	299.329	4.736	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(Cl)s2)sc1C	741466800	FLOQOXWEZJRELA-UITAMQMPSA-N	280.805	4.539	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761385380	LYMYBUZRTGXBRI-UDGZVJEDSA-N	288.199	4.577	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cc1	773153279	CZSQZIIMIYSTIO-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1c[nH]c2ccccc12	212799091	ZXLTVAIMWVCYIS-CNFVKKRWSA-N	298.345	4.514	50	20	CJGD	
CC(C)=CCCC(C)=NNC(=O)c1cccc2ccccc12	749164704	LFSJCHBBJREIGF-UHFFFAOYSA-N	294.398	4.692	50	20	CJGD	
N#C/C(=C/c1ccccc1C1CC1)c1nc2ccccc2[nH]1	750817176	DBUDNPVXTGOWNY-PTNGSMBKSA-N	285.350	4.504	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3occc3c2)s1	794691482	PEVDNBFHZURYCM-ZROIWOOFSA-N	293.347	4.593	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	726428121	FGNGMZLGZWIWAM-SJPXOZHESA-N	289.378	4.876	50	20	CJGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)C)c(C)n1C1CCCCC1	915989617	AEMFALLCVKRARW-GZTJUZNOSA-N	298.430	4.742	50	20	CJGD	
C[C@H]1CCC[C@](CBr)(OCC2CCCC2)C1	85489528	XJLXZUNLBWJURU-JSGCOSHPSA-N	289.257	4.537	50	20	CJGD	
N#C/C(=C/c1ccccc1Cl)c1nc2ccccc2o1	33622231	RTXAAFIXUYDYNY-XFXZXTDPSA-N	280.714	4.545	50	20	CJGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	33410459	HVPBVYZFUCSMLO-VBKFSLOCSA-N	299.414	4.634	50	20	CJGD	
N#C/C(=C/c1ccc(C2CC2)cc1)c1nc(C2CC2)cs1	843264248	HFGLAWAMGAQWOU-SXGWCWSVSA-N	292.407	4.962	50	20	CJGD	
Cc1ccccc1-c1cccc(CBr)c1	215252668	NVEMAPHMJWDHOO-UHFFFAOYSA-N	261.162	4.557	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	55040728	HTIFMLXZHPEUJC-NDBUSZBKSA-N	297.379	4.563	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	8120635	ZIOHYUSVYTWLDE-SDNWHVSQSA-N	295.407	4.937	50	20	CJGD	
Cc1cc(/C(C#N)=C\c2cccc(Cl)c2)ccc1[N+](=O)[O-]	774559467	SJJSPRUOHGXLRA-ZSOIEALJSA-N	298.729	4.621	50	20	CJGD	
CCCC(CCC)=NNC(=O)c1ccc(C(C)(C)C)cc1	6038120	QGEIHTWKXGBDKI-UHFFFAOYSA-N	288.435	4.670	50	20	CJGD	
CC(/C=C(/C#N)C(=O)c1ccc(C)s1)=C\c1ccccc1	729820721	XAGHWRUJAPNUPM-VKDWSQHSSA-N	293.391	4.793	50	20	CJGD	
CC(C)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1	790231018	IKMNROLXJGALFN-GZTJUZNOSA-N	299.377	4.817	50	20	CJGD	
BrCCCc1ccc(-c2ccccc2)cc1	83843097	XVVHQWMABZYUAC-UHFFFAOYSA-N	275.189	4.681	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc2ccccc12	726118343	MIJKVQYUCWISMN-UKTHLTGXSA-N	283.396	4.814	50	20	CJGD	
CCCCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1	57437782	BALDKMAOLNHXBK-VKAVYKQESA-N	292.382	4.715	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(Cl)s3)[nH]c12	735619405	MPFQRSKNGFNUMZ-YFHOEESVSA-N	299.786	4.650	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCCC(C)C)cc1	84721237	ZWHRTKFDUHMLTD-YSKWHIJTSA-N	299.414	4.634	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)c(C)cc2C)s1	729820368	OWMNLCJHFINVSN-SXGWCWSVSA-N	295.407	4.772	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761384635	HZEUGVRIZKLPCR-XBXARRHUSA-N	288.199	4.577	50	20	CJGD	
CCCCCCCCO[C@H]1CCC[C@@H]1Br	109318305	IEFQHBGZFNNNKN-STQMWFEESA-N	277.246	4.680	50	20	CJGD	
CCCCO[C@@H](CBr)c1ccc(Cl)cc1	50479851	BSVYECOACHJGCA-LBPRGKRZSA-N	291.616	4.593	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2cc(F)ccc2F)n1	176939750	CTSAORSOHYGANR-VZUCSPMQSA-N	290.338	4.609	50	20	CJGD	
COc1ccccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797397647	ADOAPFFRDVPIEX-UKTHLTGXSA-N	298.411	4.513	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	915991140	VYHVERFRSUNJBJ-JXMROGBWSA-N	289.787	4.687	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	726119331	XTGGKIRJFYKJJS-NYYWCZLTSA-N	282.170	4.516	50	20	CJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)ccc1F	729150066	IKNKHFWHCQPZDP-YBEGLDIGSA-N	293.341	4.541	50	20	CJGD	
CC[C@H](C)O[C@H](CBr)c1cccc(Cl)c1	2016242	KMKOFKBXRUWRID-JOYOIKCWSA-N	291.616	4.591	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccsc1	255153079	DAKHENPZVKJYFP-JYRVWZFOSA-N	293.347	4.593	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1Cl	779713596	PZJLEGHWEZLFGX-ZROIWOOFSA-N	298.729	4.621	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3sccc3Cl)[nH]c12	780004344	LTEPMVNHEPMBGP-JXMROGBWSA-N	299.786	4.650	50	20	CJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)c1ccccc1	917516909	DJLBHHLXZQQHOE-LGMDPLHJSA-N	299.329	4.736	50	20	CJGD	
CCC[C@](C)(CBr)CCOCc1ccccc1	306283853	AYCXLPQTICJESI-HNNXBMFYSA-N	299.252	4.795	50	20	CJGD	
C[C@@H]1CC[C@@H](OC2(CBr)CCCC2)C[C@H]1C	251829736	NIUFZJXCAZRHAW-JHJVBQTASA-N	289.257	4.535	50	20	CJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)CC(C)C)oc2cc1C	749807959	RRLWHHPMJDASBM-DHDCSXOGSA-N	281.355	4.572	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	766484547	PFBCEAKERXVAQX-RIYZIHGNSA-N	298.729	4.621	50	20	CJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781555325	GICNWZKOHDLLND-GHRIWEEISA-N	297.398	4.532	50	20	CJGD	
CC(/C=C(/C#N)c1nc2ccccc2[nH]1)=C\c1ccccc1	33936321	GWIODNLLWDIZDK-YUTYINLDSA-N	285.350	4.573	50	20	CJGD	
CC(C)CCOc1ccc(/C=C(/C#N)c2ccccn2)cc1	57536734	ISAWVNMSKPMGCV-LGMDPLHJSA-N	292.382	4.571	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cccc(Cl)c2F)sc1C	759653670	URZXYPPRYNROMS-WDZFZDKYSA-N	292.766	4.617	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	726430146	XMYOWSKXHFTLCS-FKVCUQLRSA-N	282.170	4.516	50	20	CJGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	773146523	XUIODZFYVUYPDX-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
CC[C@@H]1CCCCC1=NNC(=O)c1ccc2ccccc2c1	779769837	AKLHLBQFMZUQJZ-CQSZACIVSA-N	294.398	4.526	50	20	CJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	727655049	SETKNOPQVCMIRO-WOJGMQOQSA-N	289.378	4.710	50	20	CJGD	
CCCC[C@H](CC)CO[C@@H]1CCC[C@H]1Br	251414705	XRSJGCXLTAVFSV-YNEHKIRRSA-N	277.246	4.535	50	20	CJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cccnc2)CC1	741469980	OAKLXOOHGSBYGP-PDGQHHTCSA-N	296.414	4.554	50	20	CJGD	
CCCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	175632626	AQJVNEKGOVLKCL-UHFFFAOYSA-N	290.432	4.513	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3ccccc3o2)s1	255056597	CBEGXSBFOJZALB-UKTHLTGXSA-N	293.347	4.593	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	726120607	WMPATOYOFJVPAP-XFFZJAGNSA-N	282.170	4.516	50	20	CJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)c1ccccn1	761182906	VJSBDMBUCHVANH-LUAWRHEFSA-N	280.714	4.545	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(SCC)c1	769740841	IPLTVZPAFXHJES-NWFCWYBLSA-N	287.428	4.711	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c(C)o1	797398798	LDCNXFFPZIKFRP-NTUHNPAUSA-N	286.400	4.715	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	915992288	VYWWGUWJICBEOB-LFIBNONCSA-N	291.350	4.611	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1sccc1Cl	195228082	AZUYJWVWQSUBPP-RMKNXTFCSA-N	293.800	4.561	50	20	CJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	212674791	BHYAQBLPCQHFRS-WJDWOHSUSA-N	293.341	4.739	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2coc3ccccc23)cc1	764890827	CJOALFXLJATVGD-GDNBJRDFSA-N	287.318	4.531	50	20	CJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1	48833229	SOMCMJXSQDCESM-YBEGLDIGSA-N	269.388	4.722	50	20	CJGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)c1ccoc1C	776190409	VNGWSLWUVHDEBT-JYRVWZFOSA-N	299.757	4.648	50	20	CJGD	
CCCN(N=C[C@@H]1C(C)=CCC[C@H]1C)C(=O)OC(C)(C)C	794997551	XRFFZFBTFIOMGV-HUUCEWRRSA-N	294.439	4.612	50	20	CJGD	
Cc1cc(C(=O)/C=C/c2cccc(CCl)c2)oc1C	799897853	SSDIOWDZYXYURO-VOTSOKGWSA-N	274.747	4.531	50	20	CJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1Cl	779702968	CHYMTXDBVMDXKK-NTEUORMPSA-N	299.732	4.577	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	83015671	HTUHZTTYRPSMBB-ZSOIEALJSA-N	268.385	4.639	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)cs2)s1	195228343	UILLHIRFOSIFTB-WTKPLQERSA-N	293.800	4.561	50	20	CJGD	
Cc1ccsc1/C=C(/C#N)c1ccc2ccccc2n1	917146125	IBTSLLIAKXPFGL-UVTDQMKNSA-N	276.364	4.669	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3coc4ccccc34)[nH]c12	746521206	XJPVIZMGYYASKJ-LCYFTJDESA-N	299.333	4.682	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794943415	YHZDLSYITKQZPJ-ZECSTPGPSA-N	277.314	4.536	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	33381552	AQOVBEOIHCKZCS-POHAHGRESA-N	282.170	4.516	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(C)c2C)c1	731159148	NZZXEKBWQBSFFE-ODLFYWEKSA-N	289.378	4.710	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cc(Cl)ccc2Cl)n1	753682651	HMIONLOHNWNHEQ-WMZJFQQLSA-N	295.194	4.823	50	20	CJGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	34031694	WXQCKIDDPGALPZ-AWEZNQCLSA-N	295.473	4.648	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)c(C)c1	843264485	IYIIBHUVCIMEPR-OVCLIPMQSA-N	280.396	4.702	50	20	CJGD	
COC[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	185557504	XIVLOENUKXGAKY-QMMMGPOBSA-N	291.285	4.791	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1C	727655494	VJEZREUBFGZDMF-WOJGMQOQSA-N	289.378	4.710	50	20	CJGD	
CCCN(N=C(C)C1CCCCC1)C(=O)OC(C)(C)C	794995712	MLPDTPVFXNMPNW-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2c(F)cccc2F)n1	176916896	FHYHEYALODTBPD-UXBLZVDNSA-N	290.338	4.609	50	20	CJGD	
C=CCCC(CCC)=NN(CCC)C(=O)OC(C)(C)C	814928033	SJLYAZWIZJTGFL-UHFFFAOYSA-N	282.428	4.756	50	20	CJGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)C2CCCCC2)c1	767712215	CKKHZZYUMMKSIR-BOPFTXTBSA-N	297.398	4.530	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c(C)o1	797398800	LDCNXFFPZIKFRP-QPEQYQDCSA-N	286.400	4.715	50	20	CJGD	
CCC1CCC(CBr)(OC(C)(C)C)CC1	50479962	TXGMZBGTZCSGQV-UHFFFAOYSA-N	277.246	4.535	50	20	CJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1Cl	772178957	LOEAOADVPHNVOH-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843266785	ZNBPEKXRKJKHAF-NVNXTCNLSA-N	280.396	4.702	50	20	CJGD	
C[C@@H](C#N)Nc1cccc(S(F)(F)(F)(F)F)c1	185559276	NDWDFQSLZSNUOH-ZETCQYMHSA-N	272.242	4.668	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)s1	917146518	PQADVFFSYAQDDY-UVTDQMKNSA-N	276.364	4.669	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2coc3ccccc23)s1	160228342	LEXFMQMOZMOYIP-XYOKQWHBSA-N	293.347	4.593	50	20	CJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)C3CCCC3)oc2cc1C	781555725	ONVGLHFAAHAJLG-YBEGLDIGSA-N	293.366	4.716	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	1318157484	QKQVAWVCKZPQTB-JMRXEAOASA-N	295.407	4.937	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)n1	8207386	ASZAIXRACKCDFT-FRKPEAEDSA-N	299.443	4.590	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2c(C)cc(Cl)cc2C)n1	797405892	KUKFAOUHCUUSIQ-WUXMJOGZSA-N	288.803	4.786	50	20	CJGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843266787	ZNBPEKXRKJKHAF-OVCLIPMQSA-N	280.396	4.702	50	20	CJGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)c1ccccn1	7065136	KHEGKMFORTURPQ-NTCAYCPXSA-N	288.375	4.874	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1nc2ccccc2[nH]1	255138775	SGUACNGOCALIGT-RAXLEYEMSA-N	299.333	4.682	50	20	CJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	727655169	QEBQGTGWHMQWRI-WQRHYEAKSA-N	289.378	4.710	50	20	CJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)s1	731158543	DEDFHOUABSMZHY-XNTDXEJSSA-N	295.407	4.717	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccsc2)s1	797398582	ITWSSJSCQGCOIP-IZZDOVSWSA-N	274.414	4.566	50	20	CJGD	
Cc1ccc(C(=O)/C=C/c2cccc(CCl)c2)s1	799890483	NVEPKOWESSOKFO-VOTSOKGWSA-N	276.788	4.691	50	20	CJGD	
CC(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180335511	OGKXESNEWYWZHL-UHFFFAOYSA-N	289.269	4.939	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C)c(F)c2)c1	731489782	MDJZZTBOHLWDRL-MFOYZWKCSA-N	293.341	4.541	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	213022804	ARAMVVZCJREQND-YBEGLDIGSA-N	279.339	4.501	50	20	CJGD	
CC(C)=CCC[C@H](C)CC=NN(C)C(=O)OC(C)(C)C	920381219	NNYJHWXLQGPSBT-AWEZNQCLSA-N	282.428	4.612	50	20	CJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	170933583	XMPPYBFMXXSCKH-UKTHLTGXSA-N	299.420	4.568	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	741471322	YZZOFMIBFQVMQX-IZCBMXNHSA-N	293.366	4.859	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(F)cc2Cl)sc1C	130090018	KXDUAVRPRPFAID-VZUCSPMQSA-N	292.766	4.617	50	20	CJGD	
CC[C@H](C)c1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1	748366388	PWHRXSNHOFGMSN-HNNXBMFYSA-N	296.414	4.574	50	20	CJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H]1c1cccs1	750599733	HOWPEQBLCDAAFC-TYWAAFNRSA-N	298.386	4.589	50	20	CJGD	
CC(C)(C)[Si](C)(C)OCCSc1ccc(O)cc1	821074696	NXRNBMCMOPEKAA-UHFFFAOYSA-N	284.497	4.506	50	20	CJGD	
CCCCO[C@@H](CBr)c1cccc(Cl)c1	50479859	PKVWVMMQRJSDHI-LBPRGKRZSA-N	291.616	4.593	50	20	CJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1nc2ccccc2[nH]1	794865474	IPOVPDYMDCYIRI-LCYFTJDESA-N	295.292	4.565	50	20	CJGD	
ClCc1nc(-c2ccccc2)oc1-c1ccccc1	34565653	WLVVUUBEXNMQAO-UHFFFAOYSA-N	269.731	4.747	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)s1	588424733	ITOFOJKGLMVTEY-TWGQIWQCSA-N	293.800	4.561	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	726429083	RWVHWIIUUBXSAW-RGHBXIHOSA-N	297.398	4.530	50	20	CJGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	742349201	BKVMNRFARUXOQU-PTNGSMBKSA-N	293.366	4.675	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cscc1Cl	771836722	DKZLNDSZJCONNQ-WTKPLQERSA-N	293.800	4.561	50	20	CJGD	
CC[C@H](C)O[C@H](CBr)c1ccc(Cl)cc1	2016209	UTCJQORVQSCRJO-JOYOIKCWSA-N	291.616	4.591	50	20	CJGD	
N#C/C(=C/c1ccccc1C1CC1)c1ccc([N+](=O)[O-])cc1	751030513	NFQMWTWUSRSCFU-WJDWOHSUSA-N	290.322	4.536	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2ccccc2s1	794873529	FQPBFMXUZVSBST-RAXLEYEMSA-N	283.396	4.814	50	20	CJGD	
CCCCCO[C@@]1(CBr)CCC[C@H](C)C1	71125484	HSKCIEIAVCZQCC-STQMWFEESA-N	277.246	4.537	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	726120561	UFCRTMTXNSSXGD-RAXLEYEMSA-N	297.329	4.608	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)c1ccc(F)cc1	767351798	LASVRSYNKZIZLK-ZROIWOOFSA-N	299.732	4.577	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(F)cc2Cl)sc1C	767728883	KXDUAVRPRPFAID-WZUFQYTHSA-N	292.766	4.617	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	917560531	PWUAMHZKLQNWAJ-JYRVWZFOSA-N	299.370	4.686	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	1253570958	UCWVQNWLGZBZGT-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
CCCCC(CC)=NNC(=O)c1ccc2ccccc2c1	732924719	FQVRQOLKEMUEFF-UHFFFAOYSA-N	282.387	4.526	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cccc3ccccc23)sc1C	741474372	OKHUVRAUGJSENB-MHWRWJLKSA-N	290.391	4.977	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	779705049	YKYIMOHSEHWPAW-MBFWDRTGSA-N	295.338	4.594	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(C)c1	11297377	DCNWVXUCVPKGJG-CXUHLZMHSA-N	295.769	4.747	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1C	747440079	OINXLUASJRUCMP-OVCLIPMQSA-N	282.412	4.948	50	20	CJGD	
Cc1cc(/C(C#N)=C\c2ccccc2Cl)ccc1[N+](=O)[O-]	774558474	KOAGBTUFSOEDOK-ZROIWOOFSA-N	298.729	4.621	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	741471321	YZZOFMIBFQVMQX-AOHITCTBSA-N	293.366	4.859	50	20	CJGD	
CCCCC(CC)=NN(CCC)C(=O)OC(C)(C)C	794996300	GDTVBDGAFOJTBS-UHFFFAOYSA-N	270.417	4.590	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc3ccccc3c2)sc1C	125439381	PSFXXNNIVZZHNB-YVLHZVERSA-N	290.391	4.977	50	20	CJGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cccc2ccccc12	741462293	AMMIZPDMTMSKMJ-AWEZNQCLSA-N	296.414	4.772	50	20	CJGD	
CCCCOc1ccccc1/C=C(/C#N)c1nc(C)cs1	163343752	BORTYAPIJJFILT-GDNBJRDFSA-N	298.411	4.695	50	20	CJGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)C1CCCC1	767352318	QZMFTFRLYQTGJM-GHRIWEEISA-N	297.398	4.532	50	20	CJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)C1CCCC1	781552608	AQHCSLTZDVIWRA-FOWTUZBSSA-N	291.350	4.613	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(F)c2)s1	797399837	WQEAYXCUYLPZQH-KPKJPENVSA-N	286.375	4.644	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	1325013639	BPMYUCORICQQAD-XNTDXEJSSA-N	297.304	4.723	50	20	CJGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	735619113	IAEJJGBONPCLOT-YBEGLDIGSA-N	287.366	4.552	50	20	CJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)C2CCCCC2)c1	767715922	ZQVQUAAUXRPNFE-ATVHPVEESA-N	297.398	4.532	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCCC(C)C)cc1	84721235	ZWHRTKFDUHMLTD-YHZJOHHESA-N	299.414	4.634	50	20	CJGD	
CC(C)(C)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1	743058531	IZGFFCIGTILKNQ-UHFFFAOYSA-N	276.339	4.675	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1	794952883	JVNJUVMKCMMEBN-MHMBTURYSA-N	267.372	4.545	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1csc2ccccc12	918714237	QTWDXIVFVLGLQA-XYOKQWHBSA-N	283.396	4.814	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2c(Cl)cccc2Cl)n1	169968374	RKJMLCDXHIVOSH-UITAMQMPSA-N	295.194	4.823	50	20	CJGD	
N#C/C(=C\c1ccsc1)C(=O)c1cc2ccccc2s1	788328729	QCLAXYUHPLTZKT-NTUHNPAUSA-N	295.388	4.753	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)c(C)c1	794875288	UHDRZHHLFBTKIC-LCYFTJDESA-N	275.779	4.561	50	20	CJGD	
CCCN(N=C1CCCC12CCCC2)C(=O)OC(C)(C)C	814927430	OERXSAAICZDSPI-UHFFFAOYSA-N	294.439	4.734	50	20	CJGD	
C[C@@H](O)CCNc1cccc(S(F)(F)(F)(F)F)c1	690182094	WQBXNECWYYDJSQ-MRVPVSSYSA-N	291.285	4.527	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2sccc2C)cc1C	915989652	DUZNGYYPULBPDZ-SXGWCWSVSA-N	295.407	4.772	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	741469495	LHLGFXHCLRWMOB-CEXMDJMXSA-N	296.197	4.906	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc2ccccc12	741470124	QJWWHZNOCCCFKS-VMOJBDSFSA-N	277.367	4.752	50	20	CJGD	
C[C@@H]1CCC[C@@](CBr)(OC2CCCCC2)C1	71125230	XZBWIHLGBMREKG-TZMCWYRMSA-N	289.257	4.680	50	20	CJGD	
CCCN(N=C(CC)c1cccs1)C(=O)OC(C)(C)C	794996643	KRWTWXHBJMWYJM-UHFFFAOYSA-N	296.436	4.509	50	20	CJGD	
CC(/C=C(/C#N)c1nc(C)c(C)s1)=C\c1ccccc1	741466704	BEOZZRDYSHQDCX-QLBXNTAJSA-N	280.396	4.770	50	20	CJGD	
CCCCCCCC(C)=NNC(=O)c1c[nH]c2ccccc12	916581619	NRWXWRVTMOPDNT-UHFFFAOYSA-N	299.418	4.634	50	20	CJGD	
N#C/C(=C\c1ccccc1C1CC1)c1ccc([N+](=O)[O-])cc1	751030507	NFQMWTWUSRSCFU-LFIBNONCSA-N	290.322	4.536	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccccc1	759035266	NMOIBQDPNDPSPH-PTNGSMBKSA-N	287.318	4.531	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	726428316	JXICBHKEMGBULE-MLJKTZRHSA-N	295.407	4.937	50	20	CJGD	
CCCC[C@H](CC)CO[C@H]1CCC[C@@H]1Br	71125372	XRSJGCXLTAVFSV-AVGNSLFASA-N	277.246	4.535	50	20	CJGD	
CCCC(CCC)=NNC(=O)c1cccc2ccccc12	5456055	PNRXFTSQIQOPJS-UHFFFAOYSA-N	282.387	4.526	50	20	CJGD	
CCC[C@](C)(CCl)CCOCc1ccccc1	306160875	UKVGUINIKXPHSL-HNNXBMFYSA-N	254.801	4.639	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccc(C)cc1	764922422	ZRWYPCRCKIOMGO-BLAZZTHISA-N	287.362	4.731	50	20	CJGD	
CCCC(CCC)=NN(CCC)C(=O)OC(C)(C)C	794992840	KDQIJLIIJKVSQV-UHFFFAOYSA-N	270.417	4.590	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	741471324	YZZOFMIBFQVMQX-RGHBXIHOSA-N	293.366	4.859	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(C)c1	810216056	DCNWVXUCVPKGJG-SXGWCWSVSA-N	295.769	4.747	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	212018210	ZIOHYUSVYTWLDE-KAMYIIQDSA-N	295.407	4.937	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)c(C)c1	843264484	IYIIBHUVCIMEPR-NVNXTCNLSA-N	280.396	4.702	50	20	CJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	749817254	FOYFHVJVZWDDCQ-ZDUSSCGKSA-N	298.386	4.509	50	20	CJGD	
CCCCCCCC(C)=NNC(=O)c1cccc(Cl)c1	916581331	YZXDJGJDRWWPJT-UHFFFAOYSA-N	294.826	4.806	50	20	CJGD	
N#C/C(=C/c1ccccc1-c1ccccc1)c1ccccn1	917516967	FXQVTVSJHVOABK-JXAWBTAJSA-N	282.346	4.813	50	20	CJGD	
CC(C)=CCC/C(C)=C/C=NN(C)C(=O)OC(C)(C)C	920380626	CJVYODSYLBUZJN-SNFHWBTRSA-N	280.412	4.532	50	20	CJGD	
CC(C)C[C@@H](C)OC1(CBr)CCCCC1	50480558	UELFIWNRZIYWAE-GFCCVEGCSA-N	277.246	4.535	50	20	CJGD	
CC(C)CCCOC1(CBr)CCC(C)CC1	71125396	NVQAIFLCKRTOMP-UHFFFAOYSA-N	291.273	4.783	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	741470098	QEUDSOPXDYSRMA-VPMLRQHESA-N	296.197	4.906	50	20	CJGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)C1CCCCC1	767714542	RAAMEIVINGYQQM-FMIVXFBMSA-N	291.753	4.535	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	918712951	DQOOABURRMCERG-PTNGSMBKSA-N	293.366	4.859	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	918714362	SUNMYNPKECFUOY-GHXNOFRVSA-N	295.304	4.618	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	726117577	AKFYJUKHFWOBDJ-WQLSENKSSA-N	296.197	4.906	50	20	CJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)[C@@H](C)CC)cc1	726429597	MAHRTSNSXQDLRI-SUCHYCSPSA-N	299.414	4.778	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(Cl)c2)cc1	764884755	FYOYBLXKCACLLI-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2c(C)oc3ccccc23)n1	133069380	ZYEXQKWHHDBRER-KPKJPENVSA-N	280.352	4.570	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc(C)c(C)s1	741466703	BEOZZRDYSHQDCX-JXTNESPGSA-N	280.396	4.770	50	20	CJGD	
C#CCCNc1cccc(S(F)(F)(F)(F)F)c1	690203567	JBUVKHOGHKRIPC-UHFFFAOYSA-N	271.254	4.779	50	20	CJGD	
CCCN(N=C1CCC[C@@H](C2CC2)C1)C(=O)OC(C)(C)C	794998532	QXDPQDYKEIYNPC-CQSZACIVSA-N	294.439	4.590	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1F	731489253	BHUXSOAYMQGXMA-MHWRWJLKSA-N	288.325	4.747	50	20	CJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781555326	GICNWZKOHDLLND-LGMDPLHJSA-N	297.398	4.532	50	20	CJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797399114	OJSMEIRSYXBCLT-UKTHLTGXSA-N	298.411	4.513	50	20	CJGD	
CC(=NNC(=O)c1cccc2ccccc12)C1CCCCC1	741463082	XPQCFUWAFUVEQY-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/C=C/c2ccccc2)n1	747440949	WQTLVVGFJKVKJX-UJHPFZFGSA-N	280.396	4.887	50	20	CJGD	
C=CCCCCCC(C)=NNC(=O)c1ccccc1Cl	1117070196	DMOSDSAFOCICCA-UHFFFAOYSA-N	292.810	4.582	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1Cl	753683062	LSGBNLRLOOZJQR-POHAHGRESA-N	282.170	4.516	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2Cl)cc1	764890800	BVUHDWDFGUPIRG-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(C3CCC3)cc2)n1	834412612	LPBUAAUBSDCQGU-SXGWCWSVSA-N	280.396	4.783	50	20	CJGD	
C[C@H]1CCC[C@@](CBr)(OCC2CCCC2)C1	85489523	XJLXZUNLBWJURU-GXTWGEPZSA-N	289.257	4.537	50	20	CJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)c1ccsc1	255363236	MTEITHYYZWAVGX-GHXNOFRVSA-N	295.388	4.753	50	20	CJGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	742349203	BKVMNRFARUXOQU-RVDMUPIBSA-N	293.366	4.675	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cscc1Cl	771836720	DKZLNDSZJCONNQ-RUDMXATFSA-N	293.800	4.561	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccsc3Cl)[nH]c12	790101524	ZYODBLCQTFKIJM-YRNVUSSQSA-N	299.786	4.650	50	20	CJGD	
CC(C)(C)[Si](C)(C)OCCSc1ccccc1O	821078483	UDBQPTYXMQMSDB-UHFFFAOYSA-N	284.497	4.506	50	20	CJGD	
N#C/C(=C/c1ccc(F)c(F)c1)c1ccc2ccccc2n1	917146839	YGTUSMFNKBCNMG-ZROIWOOFSA-N	292.288	4.577	50	20	CJGD	
Cc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(C)o1	767887670	VMXYTEYAPWSGBB-SDQBBNPISA-N	298.342	4.709	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(OC(C)C)cc2)sc1C	741468978	ZHNDCCQEHRKGBM-OQLLNIDSSA-N	298.411	4.611	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	726118138	JEULMDAKBUITSE-MDWZMJQESA-N	295.304	4.618	50	20	CJGD	
CC(/C=C(/C#N)C(=O)c1ccccc1C)=C\c1ccccc1	212129505	INMOTOMAGCWEMY-MNPLYOLFSA-N	287.362	4.731	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	750899580	DVTODQKNLKTTJK-LCYFTJDESA-N	299.370	4.686	50	20	CJGD	
CC1(C)CCCCC1=NNC(=O)c1ccc2ccccc2c1	757575596	LUBXVYXHLJZLNO-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
C[C@H]1CCC[C@](CBr)(OCc2ccccc2)C1	110062281	DBXTVWKTMXEVJV-ZFWWWQNUSA-N	297.236	4.547	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(OC(C)C)cc2)sc1C	125398371	ZHNDCCQEHRKGBM-DHDCSXOGSA-N	298.411	4.611	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1C	843273768	UMEUMSGCTLLESY-OVCLIPMQSA-N	280.396	4.702	50	20	CJGD	
Cc1ccc(-c2[nH]c3ccccc3c2C(=O)CCl)cc1C	19725149	JDNYHWUAQXWTDF-UHFFFAOYSA-N	297.785	4.873	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	1319492073	WDLBKKMAKMBTNS-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	734980379	IPFJVRSXVFSWHA-MHWRWJLKSA-N	293.341	4.541	50	20	CJGD	
O=C1/C(=C\c2cccc(CCl)c2)CCc2sccc21	799893552	RZOIHLOSELTILQ-LCYFTJDESA-N	288.799	4.699	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc2ccccc12	741470120	QJWWHZNOCCCFKS-MTOJCTJASA-N	277.367	4.752	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1C	727655495	VJEZREUBFGZDMF-WQRHYEAKSA-N	289.378	4.710	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc2ccccc2s1	758419256	UPQWUVSLTQRFAE-LCYFTJDESA-N	283.396	4.814	50	20	CJGD	
CCCN(N=C1CCCCCCC1)C(=O)OC(C)(C)C	794996619	UFWSLHPAMBHDDX-UHFFFAOYSA-N	282.428	4.734	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccccc2F)s1	797399857	XBVDGOGGDODKIR-XYOKQWHBSA-N	286.375	4.644	50	20	CJGD	
CCOc1ccccc1/C=C(\C#N)c1nc(C(C)C)cs1	176916817	CMNXQBKIJFTYCE-NTEUORMPSA-N	298.411	4.729	50	20	CJGD	
CCCc1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1	773910021	VBKDYRYAZFDCFM-VBKFSLOCSA-N	293.341	4.568	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc2ccccc12	726118342	MIJKVQYUCWISMN-LCYFTJDESA-N	283.396	4.814	50	20	CJGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)c2ccncn2)c1	758917583	XJRFYKHFTZFSEN-LDADJPATSA-N	297.361	4.516	50	20	CJGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)C1CCCCC1	767712282	CVNUEUWATWJASR-UKTHLTGXSA-N	291.753	4.535	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccsc2Cl)s1	790099974	KMUKZTWUAXZDHG-UXBLZVDNSA-N	293.800	4.561	50	20	CJGD	
CC/C=C\CCOC(=O)CCCC[C@H]1CCSS1	918509126	QIAXMFGBPLBBIM-SCOBNMCVSA-N	288.478	4.600	50	20	CJGD	
BrCC1(OCC2CCCC2)CCCCCC1	85489531	UCYPDQLQAMFJDT-UHFFFAOYSA-N	289.257	4.681	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)c(F)c2)cc1	764888806	XTRGSNYNRGOZDT-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
CCCN(N=C[C@H]1C(C)=CCC[C@H]1C)C(=O)OC(C)(C)C	794997549	XRFFZFBTFIOMGV-CABCVRRESA-N	294.439	4.612	50	20	CJGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	34031693	WXQCKIDDPGALPZ-CQSZACIVSA-N	295.473	4.648	50	20	CJGD	
N#C/C(=C/c1cc(F)ccc1F)c1ccc2ccccc2n1	917144377	ITBBAZJYIZVGDZ-ZROIWOOFSA-N	292.288	4.577	50	20	CJGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc(C(C)C)cs1	182061166	GEOCHXJFLPJHCP-AWNIVKPZSA-N	286.375	4.778	50	20	CJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)C(C)C)s2)cc1	920481259	YFBGRBXZOBCGSA-XNTDXEJSSA-N	295.407	4.856	50	20	CJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2ccsc2)c1	184548957	VLCFJQLKYNXEKH-RIYZIHGNSA-N	299.420	4.650	50	20	CJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cc(C)ccc2C)cc1	748415619	GABRPEGQLUUYSP-CQSZACIVSA-N	296.414	4.574	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2o1	749808652	XRLJALFDABCASG-GPILYODUSA-N	281.355	4.572	50	20	CJGD	
Cc1ccccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730150439	JAWUMCMLTRYRMS-MDWZMJQESA-N	294.354	4.808	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	915989681	FXIQJISIUXMWAN-YBEGLDIGSA-N	295.407	4.970	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1cnc2ccccc2n1	191360570	OLXCVMJXEIVYBF-AJGWWKNYSA-N	297.361	4.640	50	20	CJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)C(CC)CC	726119134	VVKBJLQFANCGDX-SDNWHVSQSA-N	295.382	4.907	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1nc(C)c(C)s1	767363131	WYHBEZRIQARHFB-QPEQYQDCSA-N	288.803	4.786	50	20	CJGD	
CCc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	844273084	ZZERHAIQJMWZTH-DHDCSXOGSA-N	280.396	4.647	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1Cl	766489446	FGXUQOVWGFKTJJ-MLPAPPSSSA-N	288.803	4.786	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)c2cnc3ccccc3n2)c(C)c1	790231265	MVQFEOIZKFFXBS-MHWRWJLKSA-N	299.377	4.619	50	20	CJGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)C1CCCCC1	753686057	CNWJHLUSXRPEGN-JYRVWZFOSA-N	291.753	4.535	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)CCCC3)sc1C	792882742	ALCDLXBRNUZPAR-YVLHZVERSA-N	294.423	4.703	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc2ccccc2c1	7211175	TWSWEUULTSWTCZ-CPNJWEJPSA-N	297.357	4.938	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccc(F)cc1	212693364	ALRHAKZYLHONRF-AMHNRXTASA-N	291.325	4.562	50	20	CJGD	
C[C@H]1CC(C)(C)C[C@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950026	HVQXXSSSESKGAI-BBRMVZONSA-N	284.516	4.792	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)cc1	794874890	KNQFRWWLKIDWDV-YBEGLDIGSA-N	297.304	4.723	50	20	CJGD	
N#C/C(=C\c1ccsc1)c1nc(-c2ccccc2)cs1	7352468	HUKSQIRQDAEOBH-RIYZIHGNSA-N	294.404	4.936	50	20	CJGD	
Cc1cccc(C)c1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	755593832	PGLKSNARGMMSGZ-GDNBJRDFSA-N	287.366	4.552	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	1318115008	GVLMKRIYIODMEF-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	759083177	HQPGUVGHSFRNAK-LQELWAHVSA-N	281.355	4.654	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794874810	JVCDDUHUTRFEFN-MDWZMJQESA-N	277.314	4.536	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	730150170	PHLIJNBJYYAUDE-GZTJUZNOSA-N	299.414	4.634	50	20	CJGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1	915992284	VULWCYMQILNTJQ-LGMDPLHJSA-N	299.414	4.778	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccccc2F)cc1	23218486	FOAFMJZQUSXYOQ-SFQUDFHCSA-N	293.341	4.568	50	20	CJGD	
Cc1cccc(C)c1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	755593836	PGLKSNARGMMSGZ-XNTDXEJSSA-N	287.366	4.552	50	20	CJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1	769718449	NCWUYRDOSXIIFD-LFIBNONCSA-N	293.391	4.588	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794943411	YHZDLSYITKQZPJ-LUHPIMIVSA-N	277.314	4.536	50	20	CJGD	
Cc1ccc(NCc2ccc(OCCCCl)cc2)cc1	811468448	RVTSHNVZVYYQSJ-UHFFFAOYSA-N	289.806	4.615	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	726118094	IPHJWKSZRSXILC-GHXNOFRVSA-N	296.197	4.906	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	1248407611	ZNHCXYXBHPBKOB-PDGQHHTCSA-N	289.378	4.908	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2ccccc2s1	758419679	ZWWMBNYEJDXUHG-UVTDQMKNSA-N	283.396	4.814	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1	917146307	JGJZYQZPUDACBL-QGOAFFKASA-N	284.362	4.861	50	20	CJGD	
CCCCCCOC1(CBr)CCC(C)CC1	71125447	FVAUCZQHPHXZDA-UHFFFAOYSA-N	291.273	4.927	50	20	CJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	105570911	XMPPYBFMXXSCKH-LCYFTJDESA-N	299.420	4.568	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2coc3ccccc23)s1	255845636	LEXFMQMOZMOYIP-WQLSENKSSA-N	293.347	4.593	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc2occc2c1	1325841782	PWGFCFKZWQVFSQ-LFIBNONCSA-N	287.318	4.531	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc3ccccc3c2)n1	8079594	FETWJWVKGIRWER-CXUHLZMHSA-N	276.364	4.669	50	20	CJGD	
BrCc1c(-c2ccccc2)oc2ccccc12	725328799	ROOYMEMUPBVFEC-UHFFFAOYSA-N	287.156	4.995	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	726429544	UXLLBPALQCKQMV-GVIGZQTCSA-N	297.329	4.608	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2ccccc2c1	741470014	OQQDOFLJVUSPPL-QCUKBLKESA-N	277.367	4.752	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2C2CC2)s1	750817152	CTYGJJNYLGXINQ-XNTDXEJSSA-N	293.391	4.724	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	180426318	VJJXMPYUBQIGSH-FLIBITNWSA-N	295.354	4.523	50	20	CJGD	
CC[C@@H](C)O[C@H](CBr)c1cccc(Cl)c1	2016241	KMKOFKBXRUWRID-BXKDBHETSA-N	291.616	4.591	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	726120714	YIZYRJYLSUMNKQ-GXDHUFHOSA-N	297.329	4.608	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	915992313	WYCXCHPDJPWFDF-FMIVXFBMSA-N	299.757	4.732	50	20	CJGD	
Cc1onc(-c2ccc(-c3ccccc3)cc2)c1C(=O)Cl	75501916	XEZWJXBAONYOBJ-UHFFFAOYSA-N	297.741	4.696	50	20	CJGD	
CC1=C(Br)CC[C@H]1O[Si](C)(C)C(C)(C)C	195756006	KOLTXIDQOVSSNB-LLVKDONJSA-N	291.305	4.840	50	20	CJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)C1CCCCC1	755407111	SHOBTHRABNDITQ-MDWZMJQESA-N	291.753	4.535	50	20	CJGD	
N#C/C(=C\c1csc(Cl)c1Cl)c1ccccn1	761376679	OWZUFRWIDJVWGP-VMPITWQZSA-N	281.167	4.514	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	212840944	JQZUGKMKVPKWIJ-YYMXQEISSA-N	290.322	4.605	50	20	CJGD	
Cc1cc(-c2cccc(Cl)c2)ccc1NC=C(C#N)C#N	726765023	SDKCEGIYPVOZKX-UHFFFAOYSA-N	293.757	4.658	50	20	CJGD	
Clc1c(CBr)cccc1-c1ccccc1	59565923	QNGGGASBGGPJGR-UHFFFAOYSA-N	281.580	4.902	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/C=C\c2ccccc2)c1	746684158	KVBWLVFNVKDISF-WXZNFOGJSA-N	287.362	4.650	50	20	CJGD	
CC(C)c1ccc(CN2CC=C(C#N)CC2)c(C(C)C)c1	779587167	HFOIYACWYPGGPS-UHFFFAOYSA-N	282.431	4.589	50	20	CJGD	
CCOc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	255179989	ISAMBSPOFPBNIG-ZSOIEALJSA-N	298.411	4.729	50	20	CJGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1	726120502	SQXRRUFHHLTPDB-ATVHPVEESA-N	299.414	4.634	50	20	CJGD	
N#C/C(=C\c1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1	792860426	WFPZYLXFCPIUNR-SFQUDFHCSA-N	299.377	4.506	50	20	CJGD	
CCCCOC1(CBr)CCC(CCC)CC1	71125209	BQBWCVMNWOEBQZ-UHFFFAOYSA-N	291.273	4.927	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)s1	176917326	RVAJTWUJGVJAAI-IZZDOVSWSA-N	274.414	4.701	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	726117625	APVFXHBFPOCNGK-GZTJUZNOSA-N	269.388	4.722	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	726430152	XMYOWSKXHFTLCS-MKVDPYIPSA-N	282.170	4.516	50	20	CJGD	
C[C@@H]1CCC[C@@](CBr)(OCc2ccccc2)C1	110062272	DBXTVWKTMXEVJV-UKRRQHHQSA-N	297.236	4.547	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1	741475276	XCLGTTKFHDUNAT-JLHNFICMSA-N	267.372	4.545	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc2ccccc2o1	255136502	UKJTVUBPYSXZNQ-UKTHLTGXSA-N	293.347	4.593	50	20	CJGD	
Br[C@H]1CCCCCC[C@H]1OCc1ccccc1	161932795	UCWUMCBFEZXQFP-LSDHHAIUSA-N	297.236	4.690	50	20	CJGD	
N#C/C(=C\c1ccc(F)cc1)c1nc2cc(F)ccc2s1	730150504	LIFOFERYKFLJCO-YRNVUSSQSA-N	298.317	4.639	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	726118086	INFNPBRHDUYVBO-FOWTUZBSSA-N	297.398	4.530	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	726120446	SCKNPEMWDAKXCH-WDZFZDKYSA-N	282.170	4.516	50	20	CJGD	
C[C@@H]1CCC[C@H](OC2(CBr)CCCCC2)C1	71125457	CGCCXNAYCBQUMY-OLZOCXBDSA-N	289.257	4.680	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	48639544	JKHXTCXQLMIHQN-ZSOIEALJSA-N	281.380	4.547	50	20	CJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	186050384	UNDIWIFCJMMFDA-UHFFFAOYSA-N	287.253	4.693	50	20	CJGD	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1	726120503	SQXRRUFHHLTPDB-SFQUDFHCSA-N	299.414	4.634	50	20	CJGD	
CCCCCCC(C)=NNC(=O)c1cccc2ccccc12	741462488	GNIFGKZXEXEFTF-UHFFFAOYSA-N	296.414	4.916	50	20	CJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@@H]1c1ccsc1	750791748	OMVKHGPUAWHKJX-TYJIQLQKSA-N	298.386	4.589	50	20	CJGD	
C[C@@H]1CC(C)(C)C[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950037	HVQXXSSSESKGAI-CZUORRHYSA-N	284.516	4.792	50	20	CJGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1ccc2ccccc2c1	917545272	QVVLMIAIDIDXBO-AWEZNQCLSA-N	296.414	4.772	50	20	CJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)C(C)(C)C)oc2cc1C	749809567	FRLCEMPNNXSXRK-ZROIWOOFSA-N	281.355	4.572	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794874809	JVCDDUHUTRFEFN-JYRVWZFOSA-N	277.314	4.536	50	20	CJGD	
CCCCCCCO[C@H]1CCCC[C@@H]1Br	109318242	PFLMSXWDJZVKDP-STQMWFEESA-N	277.246	4.680	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	866010951	KKDXIFVSPRWBFT-DHDCSXOGSA-N	280.396	4.647	50	20	CJGD	
N#C/C(=C/c1cccs1)c1nc2cc(F)ccc2s1	730150072	GSYTTYJJTUKJNW-TWGQIWQCSA-N	286.356	4.561	50	20	CJGD	
Cc1cc(/C(C#N)=C/c2ccc(Cl)cc2)ccc1[N+](=O)[O-]	774560147	WGYOWMSCHKEEIG-NTEUORMPSA-N	298.729	4.621	50	20	CJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1ccc2ccccc2n1	1339512993	OZCHNFUJKOORCF-CPNJWEJPSA-N	296.373	4.788	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	726428050	DHRXQCPGTJUXBW-YIXGCBLDSA-N	282.170	4.516	50	20	CJGD	
CCC1(C)CCC(=NNC(=O)c2cc3ccccc3o2)CC1	751530429	XOXHGOQLAPUXJG-UHFFFAOYSA-N	298.386	4.509	50	20	CJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797399113	OJSMEIRSYXBCLT-LCYFTJDESA-N	298.411	4.513	50	20	CJGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)C)c(C)n1C1CCCCC1	915989612	AEMFALLCVKRARW-BOPFTXTBSA-N	298.430	4.742	50	20	CJGD	
CC(C)CCCO[C@]1(CBr)CCC[C@H](C)C1	71125388	WQBYMQLWJVBDEA-UONOGXRCSA-N	291.273	4.783	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761176186	KAKXWAQLFBMGHO-FLIBITNWSA-N	287.746	4.608	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	726430150	XMYOWSKXHFTLCS-MDXIRLPMSA-N	282.170	4.516	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	741470143	QMVPULYPONODHE-STCRIKGOSA-N	296.197	4.906	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)c1ccccc1F	767351454	BOECLFGCXSRMJW-LCYFTJDESA-N	299.732	4.577	50	20	CJGD	
CCc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)o1	797397775	BBUXUMDPVHXUIW-DHZHZOJOSA-N	286.400	4.660	50	20	CJGD	
CCn1c(C)cc(/C=C(/C#N)c2nc(C3CC3)cs2)c1C	843266099	SMCNJPKVSUMBTJ-NVNXTCNLSA-N	297.427	4.523	50	20	CJGD	
BrCC1(OC2CCCCCC2)CCCCC1	71125516	BOPQNLKCHFJKKH-UHFFFAOYSA-N	289.257	4.824	50	20	CJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)[C@H](C)CC)cc1	726429596	MAHRTSNSXQDLRI-OVGFGYAMSA-N	299.414	4.778	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	741469500	LHLGFXHCLRWMOB-QVIVLVACSA-N	296.197	4.906	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	726428119	FGNGMZLGZWIWAM-DQPIFXJKSA-N	289.378	4.876	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	726428317	JXICBHKEMGBULE-NCPSJORJSA-N	295.407	4.937	50	20	CJGD	
CCC1CCC(=NNC(=O)c2ccc3ccccc3c2)CC1	917547320	PYUYECUURHGUCF-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
Cc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	49784865	XGXALGKGRXCCEQ-AWEZNQCLSA-N	295.473	4.648	50	20	CJGD	
CCOc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)c(C)c1	849245472	RUHGMDQJHHMPLT-DHDCSXOGSA-N	298.411	4.531	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cc3ccccc3s2)n1	123431930	MUEWGHAJSXWPCZ-KPKJPENVSA-N	282.393	4.730	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781548944	KCVDHEASOOIBOW-BKLZJWBFSA-N	295.354	4.523	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	741467947	BFKUMGVOIIELIK-ZWSXMNCCSA-N	295.304	4.618	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2F)cc1	764884219	DHDOFGIJGJKYHN-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)C1CCCC1	767352332	QZMFTFRLYQTGJM-LGMDPLHJSA-N	297.398	4.532	50	20	CJGD	
CC[C@@H](C)O[C@@H](CBr)c1cccc(Cl)c1	2016239	KMKOFKBXRUWRID-SKDRFNHKSA-N	291.616	4.591	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccccc2)s1	797399223	QHQULPKFTBEUFQ-LCYFTJDESA-N	268.385	4.505	50	20	CJGD	
CC[C@H](C)c1ccc(-c2csc(/C(C#N)=C(/C)N)n2)cc1	806552928	BRYNCFVGWNMNFP-HTEPKEGRSA-N	297.427	4.537	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	726118184	JSVAQXYTOVKFCS-AQTBWJFISA-N	289.378	4.876	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C\c2cc(F)cc(F)c2)n1	179178632	LNBZNANFKJGMFB-JYOAFUTRSA-N	290.338	4.609	50	20	CJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)C(CC)CC)cc1	726118520	NPZYBMDJIRCJOQ-LGMDPLHJSA-N	299.414	4.778	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	726429555	UXLLBPALQCKQMV-HLVNSREUSA-N	297.329	4.608	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1	764892400	WXBWNOYTBFHYLC-QAZQYGAVSA-N	291.350	4.501	50	20	CJGD	
CCCC1CCC(CBr)(OCC2CC2)CC1	71125225	DULJRVRQAGSFJK-UHFFFAOYSA-N	289.257	4.537	50	20	CJGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	735619112	IAEJJGBONPCLOT-MHWRWJLKSA-N	287.366	4.552	50	20	CJGD	
N#C/C(=C\c1ccc(Oc2ccccc2)o1)c1ccccn1	182201601	TULBTTDWKGCNQR-WYMLVPIESA-N	288.306	4.531	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	726428048	DHRXQCPGTJUXBW-HZAKCSEPSA-N	282.170	4.516	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(Cl)s3)[nH]c12	735619404	MPFQRSKNGFNUMZ-JXMROGBWSA-N	299.786	4.650	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc2ccccc2c1	741470012	OQQDOFLJVUSPPL-HIXWQLQUSA-N	277.367	4.752	50	20	CJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)C1CCCC1	781554292	LJRUILSPIXFBMZ-FMIVXFBMSA-N	299.757	4.752	50	20	CJGD	
CCCn1cccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398918	NAILHKYYBQEMCI-JLHYYAGUSA-N	299.443	4.716	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	726117648	BBMSXMIUVMCRKZ-DHDCSXOGSA-N	295.407	4.937	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1cccc(F)c1	773170227	JEHKTZMQLMVLRJ-JMRZXEDWSA-N	291.325	4.562	50	20	CJGD	
CSc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	125416330	VIEGPCNFYUVMEU-JYRVWZFOSA-N	286.425	4.546	50	20	CJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)c1ccsc1	193346364	MTEITHYYZWAVGX-KPKJPENVSA-N	295.388	4.753	50	20	CJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1C	731156210	AWWBNNWMYVGASQ-CXUHLZMHSA-N	295.769	4.747	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730148699	JXZFLKJGNKFRGM-JYRVWZFOSA-N	294.354	4.808	50	20	CJGD	
CC(/C=C(/C#N)c1nc2cccc(C)c2[nH]1)=C\c1ccccc1	735620440	ZVRMVHREENOXEI-YYMXQEISSA-N	299.377	4.882	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761176021	HKDGDKMICCNKTG-DFYQSJSGSA-N	287.746	4.608	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1C	794875269	SXEJDRHMTDUUEC-UKTHLTGXSA-N	275.779	4.561	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	7208155	IHCMVWRIMFBCPK-SFQUDFHCSA-N	293.341	4.568	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794875185	NTKMZCBVYIBFMD-NTEUORMPSA-N	277.314	4.536	50	20	CJGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cccc2ccccc12	807972726	VCFXDGXXMLRSRP-AWEZNQCLSA-N	296.414	4.772	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccccc1F	8201758	DSLRAWJGGWDLMF-MHMBTURYSA-N	291.325	4.562	50	20	CJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	727655168	QEBQGTGWHMQWRI-WOJGMQOQSA-N	289.378	4.710	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	8054547	PODCLCSGKSCYAT-ZRDIBKRKSA-N	297.329	4.608	50	20	CJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1ccccn1	207811662	XFYHVPCALGYXBG-KAMYIIQDSA-N	290.297	4.545	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1C	747440262	RTNCQSGQCCACDP-NVNXTCNLSA-N	282.412	4.948	50	20	CJGD	
CC[C@H]1CCC[C@@H](OC2(CBr)CCCC2)C1	70564213	NAMXEXPNWILCQE-QWHCGFSZSA-N	289.257	4.680	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cc3ccccc3o2)sc1C	741473436	IQFKDHVYRWZTIJ-MDWZMJQESA-N	280.352	4.570	50	20	CJGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)C(=O)C(C)C	915989669	BRCIXAPZSYVIHR-KAMYIIQDSA-N	295.382	4.907	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	920065055	FOMFNKUYEUUQAM-NTCAYCPXSA-N	297.398	4.530	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	98008707	JMQUANJLGYVQDN-LCYFTJDESA-N	299.757	4.732	50	20	CJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	727655050	SETKNOPQVCMIRO-WQRHYEAKSA-N	289.378	4.710	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc(Cl)cc2Cl)n1	20621043	QJGQXQMRCWIKLD-ONNFQVAWSA-N	295.194	4.823	50	20	CJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1	750599732	HOWPEQBLCDAAFC-QOBZYLRHSA-N	298.386	4.589	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cccc(C3CC3)c2)sc1C	817345718	IMBPQXVEBLIGKK-SXGWCWSVSA-N	280.396	4.702	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761183027	YFEVOMNQDWOWDK-NTMALXAHSA-N	287.746	4.608	50	20	CJGD	
CC(/C=C(\C#N)c1cnc2ccccc2n1)=C\c1ccccc1	790227923	OLXCVMJXEIVYBF-SSZXNVRRSA-N	297.361	4.640	50	20	CJGD	
N#C/C(=C/c1ccsc1)c1nc2cc(F)ccc2s1	730151012	OSKKNCGZJYBPHD-YHYXMXQVSA-N	286.356	4.561	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(Cl)cc2F)sc1C	782201656	WSXHOLUWQGYTNF-WZUFQYTHSA-N	292.766	4.617	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2cccc3ccccc23)n1	8079299	OMEFMFSPJHOSSN-OQLLNIDSSA-N	276.364	4.669	50	20	CJGD	
CC(C)C1CCC(CBr)(OC2CCC2)CC1	52146959	JOFJUHXEHLFKEA-UHFFFAOYSA-N	289.257	4.535	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1	747695881	MZHSXOUERBEPET-BKLDTBNZSA-N	297.354	4.542	50	20	CJGD	
Cc1ccsc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246714	SIVATVIECLDBDZ-UXBLZVDNSA-N	294.301	4.535	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cc3ccccc3s2)n1	176953294	MUEWGHAJSXWPCZ-GHXNOFRVSA-N	282.393	4.730	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccccc2C2CC2)sc1C	751039480	SHUCXYRBWIDMEX-DHDCSXOGSA-N	280.396	4.702	50	20	CJGD	
COc1cc(C)ccc1/C=C(\C#N)c1nc(C(C)C)cs1	834429956	BDMWWQGXRYDEED-RIYZIHGNSA-N	298.411	4.648	50	20	CJGD	
N#C/C(=C/C=C\c1ccccc1)c1ccc2ccccc2n1	746683612	FAZGPACNFRIEDP-XHWQDTNBSA-N	282.346	4.855	50	20	CJGD	
CCCN(N=C1CCC[C@H](CC)C1)C(=O)OC(C)(C)C	794998732	UWESJFLBPUTKFG-ZDUSSCGKSA-N	282.428	4.590	50	20	CJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	750901285	QXJCSTNLBOAMRP-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2ccc(F)c(Cl)c2)sc1C	755602263	VBCVYQVSOGYHIW-WZUFQYTHSA-N	292.766	4.617	50	20	CJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	48501994	JMRXDHUOQXJEDU-CXUHLZMHSA-N	281.380	4.661	50	20	CJGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)C2CCCCC2)c1	767712232	CKKHZZYUMMKSIR-GZTJUZNOSA-N	297.398	4.530	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	726120554	UAGIVVGAAZFXPJ-IZZDOVSWSA-N	282.170	4.516	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cc3ccccc3o2)sc1C	741473434	IQFKDHVYRWZTIJ-JYRVWZFOSA-N	280.352	4.570	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794874608	MILOBNKWTSZEDK-UKTHLTGXSA-N	277.314	4.536	50	20	CJGD	
Cc1cc2cc(/C=C(\C#N)c3ccccn3)oc2cc1C	178548581	CKUAYCKOEAQXJS-XNTDXEJSSA-N	274.323	4.509	50	20	CJGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)C(=O)C(C)C)c1	729644635	YZFQTKBNVOBWON-PDGQHHTCSA-N	289.378	4.794	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	741469076	JPLQVNICOJMDPK-MXBGMFSPSA-N	296.197	4.906	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761176029	HKDGDKMICCNKTG-UBYNWHESSA-N	287.746	4.608	50	20	CJGD	
CC(C)CC(CC(C)C)=NNC(=O)c1cccc(Cl)c1	916278271	LJUUSFUKJBXYFW-UHFFFAOYSA-N	294.826	4.518	50	20	CJGD	
CC(C)[C@H](C)O[C@@H]1CCCCCC[C@@H]1Br	158509202	XDFYSNDHPUQCMS-RWMBFGLXSA-N	277.246	4.534	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	726428314	JXICBHKEMGBULE-GRRFOWRYSA-N	295.407	4.937	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)s1	731159128	NKDQLUCIQZPFQG-KAMYIIQDSA-N	290.391	4.923	50	20	CJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c1	921270392	UXPZOJRUCHHNHJ-YBFXNURJSA-N	289.378	4.710	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)n1	8079343	XEUOGWXMHDZLAX-IZZDOVSWSA-N	294.301	4.535	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccccc2C)c(C)c1	1317668734	VRQAGBVZBXADFG-GZTJUZNOSA-N	289.378	4.710	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2)o1	726427994	CIBMMZXIOHCBKS-VQCBNXJZSA-N	293.366	4.777	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1	764892401	WXBWNOYTBFHYLC-WYRKQZDXSA-N	291.350	4.501	50	20	CJGD	
C=C[C@](C)(CBr)CCCOCc1ccccc1	307652338	SOLRXQGKWZJEDW-HNNXBMFYSA-N	297.236	4.571	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	741471313	YVBFCOLEGFFDFQ-RQNDZEIBSA-N	269.388	4.722	50	20	CJGD	
CCCn1cccc1/C=C(\C#N)c1nc(C(C)C)cs1	747439374	JXTSSULMVQQZRS-UKTHLTGXSA-N	285.416	4.542	50	20	CJGD	
CCCCCCC(C)=NNC(=O)c1cc2ccccc2o1	749823830	SAJAHQVPGKHOLS-UHFFFAOYSA-N	286.375	4.509	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	750899584	DVTODQKNLKTTJK-UKTHLTGXSA-N	299.370	4.686	50	20	CJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1	767714440	PKXSIKLLTAFRGH-GHRIWEEISA-N	297.398	4.532	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	917517283	MRCKGWUMLGRAHU-LGMDPLHJSA-N	289.378	4.876	50	20	CJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccccn3)o2)cc1	128006553	SSFLGZWGKCATAQ-VBKFSLOCSA-N	286.334	4.714	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)c1ccc(F)cc1	767351796	LASVRSYNKZIZLK-NTEUORMPSA-N	299.732	4.577	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)c(C)c1	747436628	IDNYQXDAFMPBQN-NVNXTCNLSA-N	282.412	4.948	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(Cl)cc2)n1	255359939	SEGFLSQOYWGVFJ-KPKJPENVSA-N	288.803	4.984	50	20	CJGD	
CCc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	843264809	KHDNPTPOHGLJHO-XFFZJAGNSA-N	286.425	4.709	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2ccccc2c1	212134013	TWSWEUULTSWTCZ-UYRXBGFRSA-N	297.357	4.938	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2ccccc2c1	741470013	OQQDOFLJVUSPPL-IIMQCXAKSA-N	277.367	4.752	50	20	CJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)C1CCCC1	781553136	LPWWCVWDCHWHIM-LCYFTJDESA-N	281.380	4.568	50	20	CJGD	
CC[C@@](C)(CCl)CCCOCc1ccccc1	307077948	DTNDDJASIUTFTR-OAHLLOKOSA-N	254.801	4.639	50	20	CJGD	
C=C[C@@](C)(CBr)CCCOCc1ccccc1	307652339	SOLRXQGKWZJEDW-OAHLLOKOSA-N	297.236	4.571	50	20	CJGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)C1CCCCC1	767714475	QDUKANKNUFMYJL-ATVHPVEESA-N	297.398	4.530	50	20	CJGD	
CCCN(N=C(C)CCC=C(C)C)C(=O)OC(C)(C)C	794997557	YGFLLSLKDYGNKY-UHFFFAOYSA-N	282.428	4.756	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)c(F)c1	864365895	FVNIXYUUXSRUJA-NTUHNPAUSA-N	284.359	4.532	50	20	CJGD	
CC(C)(C)[Si](C)(C)OCCCC=CBr	2088642681	FJDXAVJQEJGGRC-UHFFFAOYSA-N	279.294	4.697	50	20	CJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)C(C)(C)CC)c[nH]c12	794875732	YIVVOMDJOVGECS-UVTDQMKNSA-N	294.398	4.643	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(Cl)cs3)[nH]c12	780004179	HINWQBKNKOYQCW-YHYXMXQVSA-N	299.786	4.650	50	20	CJGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843265241	LVCQOYAATMNASC-NTUHNPAUSA-N	284.359	4.532	50	20	CJGD	
N#C/C(=C\c1ccc(C2CCCC2)cc1)c1ccccn1	812239722	CBRXLJSGXIKXBZ-QGOAFFKASA-N	274.367	4.803	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(F)c(Cl)c2)sc1C	121253251	VBCVYQVSOGYHIW-VZUCSPMQSA-N	292.766	4.617	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1sccc1C	750912558	GTLHXAWSZBVERO-OBHNZGETSA-N	293.391	4.793	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3occc3c2)cc1	794692186	UDPBTMAOBXAVRR-BOPFTXTBSA-N	287.318	4.531	50	20	CJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cccs2)cc1	33384470	IWBYEIRSKVGFKR-KAMYIIQDSA-N	295.407	4.835	50	20	CJGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccsc1	179370715	DAKHENPZVKJYFP-MDWZMJQESA-N	293.347	4.593	50	20	CJGD	
FS(F)(F)(F)(F)c1cccc(N[C@H]2CCOC2)c1	186495219	FUJVZBJRLAFFDX-VIFPVBQESA-N	289.269	4.545	50	20	CJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	211197930	YCRONUYIGSTLNH-PTNGSMBKSA-N	293.391	4.507	50	20	CJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	212017855	IHCMVWRIMFBCPK-ATVHPVEESA-N	293.341	4.568	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc2ccccc12	212127757	ZEAGYHITCYQVLD-AQTBWJFISA-N	297.357	4.938	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794943413	YHZDLSYITKQZPJ-RLIURORJSA-N	277.314	4.536	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2ccc(OCC(C)C)cc2)n1	106858192	SSTRAMHWWUFQIW-NVNXTCNLSA-N	298.411	4.551	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	741470097	QEUDSOPXDYSRMA-QVIVLVACSA-N	296.197	4.906	50	20	CJGD	
CCCN(N=C1CCCC[C@@H]1CC)C(=O)OC(C)(C)C	794998476	ODJZSMWRLKFDRG-ZDUSSCGKSA-N	282.428	4.590	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	726430155	XMYOWSKXHFTLCS-MXFUOJGSSA-N	282.170	4.516	50	20	CJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2ccsc2)c1	588488760	VLCFJQLKYNXEKH-ZSOIEALJSA-N	299.420	4.650	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	726429950	NUWUVTDTWKSKOH-IXJPEXDMSA-N	297.329	4.608	50	20	CJGD	
CC[C@@H](C)O[C@@H](CBr)c1ccc(Cl)cc1	2016206	UTCJQORVQSCRJO-SKDRFNHKSA-N	291.616	4.591	50	20	CJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	33381549	DMAQNGPWNJJGCQ-CLFYSBASSA-N	282.170	4.516	50	20	CJGD	
CC(C)c1csc(-c2ccc(CBr)cc2)n1	309149719	QDWYXJWSFWERSE-UHFFFAOYSA-N	296.233	4.828	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735620437	ZVRMVHREENOXEI-DMAJYYCCSA-N	299.377	4.882	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2c(C)oc3ccccc23)sc1C	759085240	UGEKMQVNMJFRKK-JYRVWZFOSA-N	294.379	4.879	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc2ccccc12	741470122	QJWWHZNOCCCFKS-RFRKOGIWSA-N	277.367	4.752	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1F	834430717	WRPOVHZCIRQMOF-QPEQYQDCSA-N	286.375	4.778	50	20	CJGD	
N#CC(C#N)=CNc1cccc(S(F)(F)(F)(F)F)c1	185556227	YPOYVWNLUYGMNI-UHFFFAOYSA-N	295.236	4.687	50	20	CJGD	
C(CC[C@@H]1CCSS1)Cc1nnc(C2CCCC2)o1	1257531703	AIISTECGKYTJHE-GFCCVEGCSA-N	298.477	4.594	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	1318142308	RLZQLHXBNYCWHN-RVDMUPIBSA-N	295.407	4.937	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1F	731489310	CHWLUZRJGCDQAQ-AUWJEWJLSA-N	299.732	4.577	50	20	CJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)c1ccccc1F	767351457	BOECLFGCXSRMJW-UKTHLTGXSA-N	299.732	4.577	50	20	CJGD	
C[C@@H](CBr)c1cc(F)c(Cl)cc1Cl	85663552	JUTWYFJAVNZKDV-YFKPBYRVSA-N	285.971	4.631	50	20	CJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1	767714441	PKXSIKLLTAFRGH-LGMDPLHJSA-N	297.398	4.532	50	20	CJGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	773146611	XUIODZFYVUYPDX-ZSOIEALJSA-N	299.732	4.577	50	20	CJGD	
C(CC[C@H]1CCSS1)Cc1nnc(C2CCCC2)o1	1257531704	AIISTECGKYTJHE-LBPRGKRZSA-N	298.477	4.594	50	20	CJGD	
CC(C)(CBr)Cc1ccc2ccccc2c1	585142422	CLICRZONOAWWCH-UHFFFAOYSA-N	277.205	4.803	50	20	CJGD	
N#C/C(=C\c1cccc(F)c1F)c1ccc2ccccc2n1	730730034	RGFBSIKVJDCDNY-GXDHUFHOSA-N	292.288	4.577	50	20	CJGD	
COc1ccc(C)cc1/C=C(\C#N)c1nc(C(C)C)cs1	747439307	BYEIYKFHPSCLEW-RIYZIHGNSA-N	298.411	4.648	50	20	CJGD	
CC(C)CCCOC1(CBr)CCCCC1	71125394	QEGQHTDXUYMVTP-UHFFFAOYSA-N	277.246	4.537	50	20	CJGD	
N#C/C(=C\c1ccsc1)c1nc2cc(F)ccc2s1	730151010	OSKKNCGZJYBPHD-BJMVGYQFSA-N	286.356	4.561	50	20	CJGD	
FS(F)(F)(F)(F)c1cccc(NCc2ncc[nH]2)c1	186495505	AOQDDFNKGVKIIF-UHFFFAOYSA-N	299.268	4.679	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1F	255233220	NYECXIJMGOZQCR-NTUHNPAUSA-N	286.375	4.778	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735620436	ZVRMVHREENOXEI-AMHNRXTASA-N	299.377	4.882	50	20	CJGD	
N#C/C(=C\c1ccccc1Cl)c1nc(C2CC2)cs1	866011948	YLVILTUVOYDVTM-KPKJPENVSA-N	286.787	4.738	50	20	CJGD	
CCCCCO[C@@]1(CBr)CCC[C@@H](C)C1	71125488	HSKCIEIAVCZQCC-OLZOCXBDSA-N	277.246	4.537	50	20	CJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	180332677	MJXLGJOMKUWMQX-UHFFFAOYSA-N	287.253	4.693	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	726119096	UVBFBDFSBYZDEL-DHZHZOJOSA-N	296.197	4.906	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)c2nc(C)c(C)s2)c(C)c1	741472963	DDGGXKYCBPCCAN-OVCLIPMQSA-N	282.412	4.749	50	20	CJGD	
CCCCCO[C@]1(CBr)CCC[C@@H](C)C1	71125486	HSKCIEIAVCZQCC-CHWSQXEVSA-N	277.246	4.537	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccsc1Cl	790099496	HIHCMUIRJLJSQA-UXBLZVDNSA-N	293.800	4.561	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c(C)c1	727655496	VJSQCUBEEFOCSR-WOJGMQOQSA-N	289.378	4.710	50	20	CJGD	
CN(N=CC1CCC(C(C)(C)C)CC1)C(=O)OC(C)(C)C	783830754	DACPMYPZMKXJLG-UHFFFAOYSA-N	296.455	4.692	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794943408	YHZDLSYITKQZPJ-HOXUKUGESA-N	277.314	4.536	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1Cl	766288962	GPFDGGNHQPEDIG-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
CCCc1ccc(/C=C(/C#N)c2nc(C)cs2)s1	856721021	YDWHWCNMRXSXLA-XFFZJAGNSA-N	274.414	4.530	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	741469490	LHLGFXHCLRWMOB-BZPKPHBRSA-N	296.197	4.906	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc2ccccc2c1	211208012	SJEHWLYDZZZEMG-BOPFTXTBSA-N	287.318	4.531	50	20	CJGD	
N#C/C(=C/c1cc(F)cc(F)c1)c1ccc2ccccc2n1	755588812	VMAMAPVIHXVTKL-AUWJEWJLSA-N	292.288	4.577	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C\c2ccccc2)cc1C	809158389	AETZGURQMYWMHM-IGHDPAQPSA-N	287.362	4.650	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(Cl)cc2)n1	83015552	SEGFLSQOYWGVFJ-GHXNOFRVSA-N	288.803	4.984	50	20	CJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccsc2)cc1	7211520	BLOUAEAPJONYKQ-XNTDXEJSSA-N	295.407	4.835	50	20	CJGD	
O=C1/C(=C/c2cccc(CCl)c2)CCc2sccc21	799893554	RZOIHLOSELTILQ-UKTHLTGXSA-N	288.799	4.699	50	20	CJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccccc2F)cc1C	732576927	CNYMALPOINTEDA-YBEGLDIGSA-N	293.341	4.541	50	20	CJGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	735618496	AVWDGTSWTWHVLR-MHWRWJLKSA-N	287.366	4.552	50	20	CJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761385381	LYMYBUZRTGXBRI-VKDKVYATSA-N	288.199	4.577	50	20	CJGD	
CCSc1cccc(/C=C(\C#N)C(=O)CC(C)(C)C)c1	769723755	BPRADZQPZXOXQN-NTEUORMPSA-N	287.428	4.711	50	20	CJGD	
Cc1ccsc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246713	SIVATVIECLDBDZ-POHAHGRESA-N	294.301	4.535	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	779705050	YKYIMOHSEHWPAW-UQRISPGASA-N	295.338	4.594	50	20	CJGD	
CCCn1cccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398920	NAILHKYYBQEMCI-RAXLEYEMSA-N	299.443	4.716	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2cccc(C3CC3)c2)sc1C	817345696	IMBPQXVEBLIGKK-CXUHLZMHSA-N	280.396	4.702	50	20	CJGD	
CSc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)s1	840717229	SGLGABYLUANGKA-XFXZXTDPSA-N	291.441	4.526	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(Cl)ccc1Cl	753683945	YKGONYNPVZMVAG-WDZFZDKYSA-N	282.170	4.516	50	20	CJGD	
CC[C@@H](C)c1ccc(-c2csc(/C(C#N)=C(/C)N)n2)cc1	806552927	BRYNCFVGWNMNFP-DHVNXZJSSA-N	297.427	4.537	50	20	CJGD	
Cc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1F	843266573	XNRLUBDODNIQDX-NTUHNPAUSA-N	284.359	4.532	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C)c(Cl)c1	794874612	MJATWSANFKOTDC-JYRVWZFOSA-N	275.779	4.561	50	20	CJGD	
N#C/C(=C\c1ccccc1F)c1nc2cc(F)ccc2s1	730149015	RWRUWYLZTMMUGV-YRNVUSSQSA-N	298.317	4.639	50	20	CJGD	
CCCc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	774131302	QOOWCQQDGGAJJD-MHWRWJLKSA-N	282.412	4.777	50	20	CJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)C1CCCC1	781553050	IJWDHKAOEHINMD-XGICHPGQSA-N	294.181	4.660	50	20	CJGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)c1ccoc1C	788733135	QIRHVUPDPATKCG-UKTHLTGXSA-N	299.757	4.594	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccccc1F	212674719	DSLRAWJGGWDLMF-RVFWBLQRSA-N	291.325	4.562	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)n1	212769626	ASZAIXRACKCDFT-APSNUPSMSA-N	299.443	4.590	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	726430296	XXSHHZDNQMCQRI-CAXXOGMASA-N	282.170	4.516	50	20	CJGD	
CC1(C)CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	767774809	BLTQOJCIURDLDR-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CCCN(N=C1CCC[C@H](C2CC2)C1)C(=O)OC(C)(C)C	794998530	QXDPQDYKEIYNPC-AWEZNQCLSA-N	294.439	4.590	50	20	CJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1	727655284	SARUIXMBUWMYAH-LDADJPATSA-N	289.378	4.656	50	20	CJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	726430638	ZRMKEVMLEOYVKA-LUYJPIOASA-N	297.398	4.530	50	20	CJGD	
CCCN(N=C1CCC(C)(C)CC1)C(=O)OC(C)(C)C	794997007	MSWRTWNWTAXOEC-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	97402607	HKKBEUIABGIOCZ-GXDHUFHOSA-N	281.380	4.547	50	20	CJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1Cl	779704431	PNZVGXJHNSQDRL-LCYFTJDESA-N	299.732	4.577	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(F)c(F)c2)n1	83015625	LYTWUWDIWSHDFW-WZUFQYTHSA-N	290.338	4.609	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735620438	ZVRMVHREENOXEI-HLXKFHDQSA-N	299.377	4.882	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc(CC(C)C)cc2)n1	755032424	OKLYHKTWVUJFRM-CXUHLZMHSA-N	282.412	4.714	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	726120717	YIZYRJYLSUMNKQ-UVTDQMKNSA-N	297.329	4.608	50	20	CJGD	
CCCc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	773910590	YBKNORSVPRQVRC-VBKFSLOCSA-N	287.366	4.580	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	1320845738	AKHSGAJTPAPIIF-MDWZMJQESA-N	299.732	4.577	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	726120062	JCKXKIDJMHVDJL-CPNJWEJPSA-N	289.378	4.876	50	20	CJGD	
N#C/C(=C\c1ccccc1C1CC1)c1nc2ccccc2[nH]1	750817178	DBUDNPVXTGOWNY-RVDMUPIBSA-N	285.350	4.504	50	20	CJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1cccc(C)c1C	727655189	UAFZHJMXAABZCJ-MHWRWJLKSA-N	293.341	4.541	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	741471314	YVBFCOLEGFFDFQ-SWEABUAFSA-N	269.388	4.722	50	20	CJGD	
CCCOc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	741474565	QOFJQRCQCNLSGT-XNTDXEJSSA-N	298.411	4.613	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1	741475279	XCLGTTKFHDUNAT-XNDBXCRGSA-N	267.372	4.545	50	20	CJGD	
ClCc1cncc(-c2cc(Cl)cc(Cl)c2)c1	309203825	ZOSYRFXNPRGUJT-UHFFFAOYSA-N	272.562	4.794	50	20	CJGD	
Cc1ccccc1/C=C(\C#N)c1nc(C(C)C)cs1	176916834	BLYRHGNGITXQMQ-RIYZIHGNSA-N	268.385	4.639	50	20	CJGD	
CC(C)[Si](Oc1ccc(CO)cc1)(C(C)C)C(C)C	201548384	CZURBJZPXSQFHD-UHFFFAOYSA-N	280.484	4.733	50	20	CJGD	
CC(/C=C(\C#N)c1ccc([N+](=O)[O-])cc1)=C\c1ccccc1	212840816	JQZUGKMKVPKWIJ-DMAJYYCCSA-N	290.322	4.605	50	20	CJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)C1CCCC1	781554293	LJRUILSPIXFBMZ-XFXZXTDPSA-N	299.757	4.752	50	20	CJGD	
Cc1ccc(F)c(/C=C(\C#N)c2ccc3ccccc3n2)c1	734979755	CVGZWJQXYUEHQY-LFIBNONCSA-N	288.325	4.747	50	20	CJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)C1CCCC1	781555683	NSJLBBMKFILSPS-GXDHUFHOSA-N	281.380	4.568	50	20	CJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	750901281	QXJCSTNLBOAMRP-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1Cl	772171532	JGSABVOZGVSRKM-AUWJEWJLSA-N	299.732	4.577	50	20	CJGD	
CCCc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	773910587	YBKNORSVPRQVRC-FOWTUZBSSA-N	287.366	4.580	50	20	CJGD	
N#C/C(=C/c1cccc2c1CCC2)c1nc(C2CC2)cs1	844273025	ZPAXGCZJZRSZJX-DHDCSXOGSA-N	292.407	4.573	50	20	CJGD	
CC(C)(C)CCO[C@H](CBr)c1ccccc1	85341059	BTYPHHLEVPOOFN-CYBMUJFWSA-N	285.225	4.575	50	20	CJGD	
COc1cccc(C)c1/C=C(/C#N)c1nc(C(C)C)cs1	834430437	OBBWXXMQPDYMDB-JYRVWZFOSA-N	298.411	4.648	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2sccc2C)cc1C	915989651	DUZNGYYPULBPDZ-CXUHLZMHSA-N	295.407	4.772	50	20	CJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)C1CCCCC1	767714380	PCWYHGKKRSJBJA-JYRVWZFOSA-N	291.753	4.535	50	20	CJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc2ccccc12	918715737	SCELQGMLGIIVAY-WJDWOHSUSA-N	277.367	4.752	50	20	CJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)[C@H](C)CC)cc1	726429599	MAHRTSNSXQDLRI-WIZMWCRPSA-N	299.414	4.778	50	20	CJGD	
Cc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)s1	812248653	QHOKCYLAWKTXEM-UXBLZVDNSA-N	294.301	4.535	50	20	CJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc2ccccc2s1	176953425	VBNDBZCJPWFIAH-LCYFTJDESA-N	293.347	4.593	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2C2CC2)cc1	764891332	KXMKUPLEDXXMBM-LDADJPATSA-N	287.362	4.662	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1csc2ccccc12	741469179	KCNSUQGPEFDSBT-FNWMBBJUSA-N	283.396	4.814	50	20	CJGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)C1CCCCC1	767714543	RAAMEIVINGYQQM-XFXZXTDPSA-N	291.753	4.535	50	20	CJGD	
C[C@H]1CCC[C@@](CBr)(OC2CCCCC2)C1	71125232	XZBWIHLGBMREKG-GXTWGEPZSA-N	289.257	4.680	50	20	CJGD	
CC(C)c1csc(/C(C#N)=C/c2cc(F)cc(F)c2)n1	158865566	LNBZNANFKJGMFB-QDEBKDIKSA-N	290.338	4.609	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)s1	797399651	VJLPWEDCLRRRDB-XFFZJAGNSA-N	288.441	4.875	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(C)ccc2C)c1	918713343	IXTWKAZCXVQWOX-YBFXNURJSA-N	289.378	4.710	50	20	CJGD	
Cc1ccc(-c2[nH]c3ccccc3c2C(=O)CCl)cc1	19725146	GSXFQXBOVBGOGY-UHFFFAOYSA-N	283.758	4.565	50	20	CJGD	
Cc1nc(/C(C#N)=C\c2cccc3ccccc23)sc1C	125452055	OKHUVRAUGJSENB-YBEGLDIGSA-N	290.391	4.977	50	20	CJGD	
COc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1C	588597557	UWOVBTOBQQWRHN-AUWJEWJLSA-N	298.411	4.648	50	20	CJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	726120063	JCKXKIDJMHVDJL-UYRXBGFRSA-N	289.378	4.876	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1csc2ccccc12	741469171	KCNSUQGPEFDSBT-AUWXEVLLSA-N	283.396	4.814	50	20	CJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)o1	212144993	QWEOLFSEVSOMLF-PTNGSMBKSA-N	293.366	4.675	50	20	CJGD	
CC[C@](C)(CBr)CCCOCc1ccccc1	306708350	KZEPOXBELNCKLS-HNNXBMFYSA-N	299.252	4.795	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1F	843266559	XKXIGOYZCMHZEE-MLPAPPSSSA-N	284.359	4.532	50	20	CJGD	
N#C/C(=C\c1cccc(F)c1)c1nc2cc(F)ccc2s1	730148577	IIFOMBTZPZOANJ-IZZDOVSWSA-N	298.317	4.639	50	20	CJGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cccc2ccccc12	748252587	VUNDKKIWMSTRRZ-CQSZACIVSA-N	296.414	4.772	50	20	CJGD	
CC(/C=C(/C#N)C(=O)c1sccc1C)=C\c1ccccc1	750912560	GTLHXAWSZBVERO-VKDWSQHSSA-N	293.391	4.793	50	20	CJGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1C#N	766290314	PYUMTWSZQSWFSC-VIZOYTHASA-N	293.395	4.511	50	20	CJGD	
Cc1csc(/C(C#N)=C\c2c(C)cc(Cl)cc2C)n1	797405891	KUKFAOUHCUUSIQ-SDQBBNPISA-N	288.803	4.786	50	20	CJGD	
Cc1cc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1	7740666	CVOILIMHOVQBBM-MHWRWJLKSA-N	292.338	4.584	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(C(C)C)cc2)sc1C	32128585	ZNZWTSWYRXPDHU-CXUHLZMHSA-N	282.412	4.948	50	20	CJGD	
CC(CC1CCCC1)=NNC(=O)c1cccc2ccccc12	752733251	JXEXJWXIWJBVQN-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3ccccc3o2)cc1	764888879	ZSZGRKYCCBLZLJ-LFIBNONCSA-N	287.318	4.531	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1	764891646	LYNWLYXOMGJIQM-LCYFTJDESA-N	299.732	4.577	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794875186	NTKMZCBVYIBFMD-ZROIWOOFSA-N	277.314	4.536	50	20	CJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)[C@H](C)CCC)cc1	741468764	HRKIKJLOKOXBRP-OVGFGYAMSA-N	299.414	4.778	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	741475305	XSTXOHBMBGITAV-ZDIKFAODSA-N	296.197	4.906	50	20	CJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccco3)n2)cc1	4696597	XXHLDDFDFMZVNP-ZROIWOOFSA-N	292.363	4.776	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(SCC)c1	769740855	IPLTVZPAFXHJES-QQFZQELXSA-N	287.428	4.711	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(Cl)cc3)[nH]c12	735618668	DNMAVESDPYQSQK-UKTHLTGXSA-N	293.757	4.589	50	20	CJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccc(C)cc1	764922423	ZRWYPCRCKIOMGO-DFQGPDHMSA-N	287.362	4.731	50	20	CJGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)C(=O)C(C)C)c1	729644632	YZFQTKBNVOBWON-LDADJPATSA-N	289.378	4.794	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc4ccccc4o3)[nH]c12	735619509	NSXWDRFJBCMSBG-UVTDQMKNSA-N	299.333	4.682	50	20	CJGD	
CCC1CCC(CBr)(O[C@H](C)CC)CC1	50480043	FSAZRDYZOSJUAE-PNESKVBLSA-N	277.246	4.535	50	20	CJGD	
CCC[C@@H](CBr)CCCOCc1ccccc1	306599119	HFTZFPLJXWKHKM-CQSZACIVSA-N	299.252	4.795	50	20	CJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1	727655418	SARUIXMBUWMYAH-PDGQHHTCSA-N	289.378	4.656	50	20	CJGD	
CCCN(N=C1CCCC[C@H]1CC)C(=O)OC(C)(C)C	794998475	ODJZSMWRLKFDRG-CYBMUJFWSA-N	282.428	4.590	50	20	CJGD	
CC[C@@H]1CCC[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950092	KLEQEHKMLWDYCN-HIFRSBDPSA-N	270.489	4.546	50	20	CJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1Cl	772178955	LOEAOADVPHNVOH-RIYZIHGNSA-N	299.732	4.577	50	20	CJGD	
CCc1cccc(Cl)c1/C=C(\C#N)c1nc(C)cs1	797405552	AEITWCIGXZCCQT-KPKJPENVSA-N	288.803	4.732	50	20	CJGD	
CCCC(=NNC(=O)c1cc2ccccc2o1)C1CCCC1	834964941	SBDWHFDJIIZQRU-UHFFFAOYSA-N	298.386	4.509	50	20	CJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	741472605	CHFMQZCELPVDRO-QAEAHILHSA-N	299.414	4.634	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	1318114993	GVLMKRIYIODMEF-JYRVWZFOSA-N	299.732	4.577	50	20	CJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1nc(C2CC2)cs1	1326292041	MMPJTOQJTBDNOS-CXUHLZMHSA-N	292.407	4.573	50	20	CJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccsc3Cl)[nH]c12	790101515	ZYODBLCQTFKIJM-XFFZJAGNSA-N	299.786	4.650	50	20	CJGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)C1CCCCC1	767712275	CVNUEUWATWJASR-LCYFTJDESA-N	291.753	4.535	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)cc(Cl)c2)cc1	776721117	XZLCXTNUZBUFCZ-MKMNVTDBSA-N	299.732	4.577	50	20	CJGD	
Cc1cccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797398246	FNRNNNOATGYDOI-ZROIWOOFSA-N	282.412	4.813	50	20	CJGD	
C=CC[C@H](CBr)CCCOCc1ccccc1	307307604	MPLUMEYEAVNXBK-AWEZNQCLSA-N	297.236	4.571	50	20	CJGD	
Cc1nc(/C(C#N)=C/c2ccc(C(F)F)cc2)sc1C	794942184	KEWDYTSHCVYYKP-NTUHNPAUSA-N	290.338	4.762	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1	918713619	LTLCAJVPJQZDSH-YBEGLDIGSA-N	295.769	4.747	50	20	CJGD	
COc1ccccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797397646	ADOAPFFRDVPIEX-LCYFTJDESA-N	298.411	4.513	50	20	CJGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cccc2ccccc12	741462294	AMMIZPDMTMSKMJ-CQSZACIVSA-N	296.414	4.772	50	20	CJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)o1	788326528	FEFGILXVUIVCNV-MDWZMJQESA-N	293.347	4.593	50	20	CJGD	
CCCCCCCO[C@@H]1CCCC[C@@H]1Br	109318240	PFLMSXWDJZVKDP-QWHCGFSZSA-N	277.246	4.680	50	20	CJGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1	158799849	MZHSXOUERBEPET-BYUCVARHSA-N	297.354	4.542	50	20	CJGD	
Cc1csc(/C(C#N)=C/c2ccc(C3CCC3)cc2)n1	834412611	LPBUAAUBSDCQGU-CXUHLZMHSA-N	280.396	4.783	50	20	CJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	759083172	HQPGUVGHSFRNAK-GVIGZQTCSA-N	281.355	4.654	50	20	CJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	1325013638	BPMYUCORICQQAD-GDNBJRDFSA-N	297.304	4.723	50	20	CJGD	
C=CCNc1cccc(S(F)(F)(F)(F)F)c1	186146556	UAIJEKODFAAYBR-UHFFFAOYSA-N	259.243	4.942	50	20	CJGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	726119097	UVBFBDFSBYZDEL-FLIBITNWSA-N	296.197	4.906	50	20	CJGD	
Cc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1C	735619755	QWRSXRNMGDWZAG-YBEGLDIGSA-N	287.366	4.552	50	20	CJGD	
CCCCCC(C)=NNC(=O)c1cccc2ccccc12	741465676	SCPYMFJFBDJYCO-UHFFFAOYSA-N	282.387	4.526	50	20	CJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)C(C)(C)C)oc2cc1C	749809564	FRLCEMPNNXSXRK-NTEUORMPSA-N	281.355	4.572	50	20	CJGD	
CC1(C)CCCCC1=NNC(=O)c1cccc2ccccc12	757585287	ZYRCVSSCFKEGBN-UHFFFAOYSA-N	294.398	4.526	50	20	CJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccccc2F)s1	797399856	XBVDGOGGDODKIR-WQLSENKSSA-N	286.375	4.644	50	20	CJGD	
Cc1cccc(C(C)C)c1NC(=O)C1CCC(Cl)CC1	1346615320	YFHYEBDZSPBHHG-UHFFFAOYSA-N	293.838	4.855	50	20	CJGD	
N#C/C(=C/c1ccc2ccccc2c1)c1nc2ccccc2[nH]1	51102955	DIDLKPABXQFKMN-ATVHPVEESA-N	295.345	4.780	50	20	CJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)c1ccccn1	96843575	XQQBCSOVWCAJMN-QBFSEMIESA-N	290.297	4.545	50	20	CJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	794875434	WBLOSWFREAFJGG-XFXZXTDPSA-N	295.304	4.618	50	20	CJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccc(F)cc1	8202530	ALRHAKZYLHONRF-DMAJYYCCSA-N	291.325	4.562	50	20	CJGD	
CC[C@@H]1CCC[C@H](OC2(CBr)CCCC2)C1	70564210	NAMXEXPNWILCQE-OLZOCXBDSA-N	289.257	4.680	50	20	CJGD	
CCSc1cccc(/C=C(/C#N)C(=O)C(C)(C)CC)c1	794874617	MJNADNOHIIKERQ-UVTDQMKNSA-N	287.428	4.711	50	20	CJGD	
CCCN(N=C1CCCC(C)(C)C1)C(=O)OC(C)(C)C	794995577	KQLARNVFEVJAST-UHFFFAOYSA-N	282.428	4.590	50	20	CJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(CCl)c2)cc1	799891969	KJTSWYXNUZWIRJ-LICLKQGHSA-N	295.769	4.524	50	20	CJGD	
CCCC[C@H](CC)CO[C@H]1CCCC[C@H]1Br	251337784	MATJFHBYRWNYMD-MJBXVCDLSA-N	291.273	4.926	50	20	CJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/C=C/c2ccccc2)c1	746684160	KVBWLVFNVKDISF-XICJKMHVSA-N	287.362	4.650	50	20	CJGD