smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CCCCl)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	2231283	SVSADRADENKTMQ-UHFFFAOYSA-N	442.755	5.634	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	10059572	YHJGJMITPRMPCR-VJKRCDFGSA-N	446.547	5.317	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(C)c1	59201718	AVRRVMDAZKAABB-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(C(=O)O)cc1	107671181	UAPJJQALWOIKDR-ZDLGFXPLSA-N	437.854	5.829	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc([N+](=O)[O-])c1	108112730	FYJHEVIGADHFQX-UKTHLTGXSA-N	440.209	5.590	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc2[C@H](C)CC1(C)C	208314915	ZGHCRZWDNGBCGJ-BKBIYGFMSA-N	429.564	5.481	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1	208476083	CHFFBFRDOBBYDP-WQRHYEAKSA-N	435.955	5.916	50	40	IKGB	
CCN1c2cc(C)c(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc2[C@@H](C)CC1(C)C	223583531	BOROBSBEYAWXAJ-SJJOQSKNSA-N	437.591	6.116	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c1C	408791999	GJFGQNGAOAEDON-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccccc2F)c1	408884651	XYZXXLJTQPTYGS-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccccc1	409055065	IBMJUQAQTDCUFD-LZYBPNLTSA-N	435.159	6.311	50	40	IKGB	
Cc1cccc(C(=O)N/N=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)c1	409065487	SRAGHTAXBMDYMN-KKMKTNMSSA-N	434.858	5.287	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1	409066121	LSUZARRNMQOPBS-DTQAZKPQSA-N	435.892	5.048	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409178875	JHTRGHOEQDLJCE-AFUMVMLFSA-N	433.851	5.354	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)ccc1OC	409320806	CVLNVPJSFQAAQU-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(Br)cs3)C3=C2CCCC3=O)cc1	713273	DVPZPKXPPLELMX-IBGZPJMESA-N	440.366	5.124	50	40	IKGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccc(SC(F)F)cc2s1	3192628	FJLREFREPBWKDT-IZZDOVSWSA-N	432.433	5.065	50	40	IKGB	
CC(C)(C)c1ccc(-c2nc(NC(=O)CCl)sc2-c2ccc(C(C)(C)C)cc2)cc1	3269653	QCQRVFCPURLCCE-UHFFFAOYSA-N	441.040	7.249	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2c1	8405673	JTNWSXNJTCHRLW-WOJGMQOQSA-N	434.326	6.821	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)c1ccccc1	9553839	BUHJMZNXOSKDNQ-CPNJWEJPSA-N	432.273	5.458	50	40	IKGB	
N#C/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Cl)c1	14361480	VUVVLOGQDGFEBC-VGOFMYFVSA-N	431.279	5.047	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(F)cc1	16249792	XFWIZCMJYQWPOW-WRNUTHQKSA-N	429.539	5.739	50	40	IKGB	
CCCc1nc(CN(Cc2csc(CCC)n2)C[C@H](CCl)n2cccn2)cs1	69810222	XBZHIQDPXLCQKZ-SFHVURJKSA-N	438.066	5.183	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(N/N=C(/C)c2ccccc2Cl)cc1)c1ccccc1Cl	96399212	BEWJRCAVFKJJFW-FHOIBDKLSA-N	439.346	5.984	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccccc2C#N)cc1	100745273	YBUADXWWPRWINL-JJFYIABZSA-N	429.483	5.146	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC	408583889	YHENVEVHSPSFHV-KGENOOAVSA-N	428.488	5.094	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)c(C)c1	408867277	LHCUZCUVVMQWRU-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1Cl	408982336	DGAOVCOHFHCPST-WOJGMQOQSA-N	434.883	5.510	50	40	IKGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(\C#N)c3cccc4ccccc34)cc2)cc1	409321636	IOYKVHNMSXDBAR-JJIBRWJFSA-N	446.506	6.008	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1cccc(F)c1	409392104	LAXVRRINYSJVDH-PDGQHHTCSA-N	429.882	6.137	50	40	IKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccccc1	708331	HONILTXLATVKTO-NRFANRHFSA-N	440.572	5.082	50	40	IKGB	
Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1	3058974	YNHXKKIXOBEZIN-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
CCc1cccc(C(C)(C)C)c1NC(=S)N/C=C(/C#N)C(=O)c1ccc2ccccc2c1	5734196	CPCDXHWTPWKWOM-XLNRJJMWSA-N	441.600	6.276	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1	9202234	QZMGNURKRJFRFA-JFLMPSFJSA-N	436.939	5.698	50	40	IKGB	
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)CCCCl)c3)nc2c1	16610950	POUJHNRNBNYLIA-CQSZACIVSA-N	429.973	5.840	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	28215946	JNUBFBMPVZGRPY-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1	33699913	RQAVPPMRCJEMIO-QFEZKATASA-N	449.304	5.635	50	40	IKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)c1	59335484	JSNYDHLWGQBLMW-XKZIYDEJSA-N	427.504	5.043	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl	408599329	GERCMSQGGGDPJF-MZJWZYIUSA-N	442.390	6.462	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCCC2)cc1	408678470	ZMBHDZCVXSUEKK-QFEZKATASA-N	428.319	5.618	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1	408743720	UOOBSYKHIFROQV-HYARGMPZSA-N	427.504	5.043	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408793087	NFMXOSSRZPIAFE-RIYZIHGNSA-N	431.706	6.761	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1C	408794789	JZEWSBLMDYJMKO-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1ccccc1F	408883992	SBTIIJCVWALWHZ-RGVLZGJSSA-N	448.925	6.241	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408898439	LHGMHWSFMZAABW-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)o2)c([N+](=O)[O-])c1	408899541	QEEDNRKJYKCCBX-JLHYYAGUSA-N	442.258	6.016	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2Br)o1	409236721	GVEWUUXDSYQVMG-LGMDPLHJSA-N	435.321	6.126	50	40	IKGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1cccc2ccccc12	409310606	BHOIWTIEJBWKRQ-PDGQHHTCSA-N	436.305	5.608	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(Cl)cn34)c2C)c(C)c1	1005449	VJJBVGOAWKNNPA-RPPGKUMJSA-N	433.943	5.084	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	1188721	XRWSGXVBUBBVTP-MHWRWJLKSA-N	428.294	6.086	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1	3292306	XCXBWVPELZRUPG-IBGZPJMESA-N	429.303	5.704	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	6177760	AEGNYACQVSLPSY-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
C/C(=N/NC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	8399835	LLGZXHWKRQWSCL-WGARJPEWSA-N	426.303	5.400	50	40	IKGB	
N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	9075698	HGPXDXDQHAERBW-XFXZXTDPSA-N	445.273	5.596	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccccc1	9145018	TYGIHYJGPZHSCL-WOHWVRMTSA-N	431.539	5.403	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1	9323045	TYPVYQPLHSCNOT-XDHOZWIPSA-N	436.895	5.134	50	40	IKGB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)NC2CCCCC2)cc1	9762112	HELUQJYLLXOEOZ-PCLIKHOPSA-N	429.948	5.072	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc2cc(Cl)ccc2o1	15229004	VVJBFZHPFBLHIY-VROXFSQNSA-N	443.242	5.462	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1	20198187	KDTIAAIANNADOP-RWPZCVJISA-N	443.469	5.666	50	40	IKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Cl)c([N+](=O)[O-])c4)nc(O)c23)C1	33595900	NHCVKLXKKQOAMP-BZPKPHBRSA-N	426.885	5.147	50	40	IKGB	
N#C/C(=C/c1ccccc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1	35079185	FKPBBMXKVALCCI-ZROIWOOFSA-N	435.268	6.656	50	40	IKGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1	58916004	OELAFDQFZSQCEA-BRJLIKDPSA-N	433.335	6.189	50	40	IKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1	59117578	YCSGNKLYVUVPFM-XCVCLJGOSA-N	440.080	5.030	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473084	FPEBNBGJGRTAFU-OVVQPSECSA-N	432.589	6.063	50	40	IKGB	
C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	84652785	RYHMCEZDZZBPAQ-QGTGJCAVSA-N	440.712	7.204	50	40	IKGB	biogenic
O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1Br)c1cccnc1	97977111	LQLRDWUVXGKHOK-UHFFFAOYSA-N	439.225	5.302	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	408537911	HXYVGKRAEWRRPK-LFIBNONCSA-N	433.335	6.204	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(N2CCCC2)cc1	408677862	VRAUCQBGERYOPZ-WPWMEQJKSA-N	433.939	5.283	50	40	IKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Br)cc1	408744171	JKOFPIITFDAMEX-JXAWBTAJSA-N	427.301	6.301	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC)c(Cl)c2)cc1	408795368	LPQYBXZQHHAKEM-OQLLNIDSSA-N	433.291	5.114	50	40	IKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc2ccccc12	408898976	YUXVNQQGCFDHRA-PXLXIMEGSA-N	443.506	6.446	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408984400	QMLJNYLQQMVROM-SXGWCWSVSA-N	431.319	5.811	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3o2)c(OCC(=O)Nc2cccc(C)c2)c1	409047709	QCZILZIUBZNWKF-CPNJWEJPSA-N	439.471	5.227	50	40	IKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	409094107	BZULTVCUSHTQTH-DHDCSXOGSA-N	446.334	5.156	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1	1791398	TXQWRKJXPDLCAK-LDADJPATSA-N	437.952	6.106	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1	2121381	GRWCVEOTNQHSFO-VFLNYLIXSA-N	439.412	5.611	50	40	IKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1I	3254415	BOQGVOYBQWGRJE-CSKARUKUSA-N	443.071	5.144	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)ccc1Br	12464631	GFPRDWYSFFIZTM-VULFUBBASA-N	447.332	5.593	50	40	IKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl	33662240	FNJGIIOGJOYJCQ-ZVBGSRNCSA-N	438.292	5.279	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1cccc(F)c1	35328065	OJTNORRDOQBIBI-NVMNQCDNSA-N	447.897	6.316	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	59202021	SEGMUKDEMUICRD-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
CC(=O)OC/C(C#N)=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118927572	CKWFORLOHLVCPJ-DBLPKGEKSA-N	425.569	5.264	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1Br	212423633	RZQOVJHHOWZADT-XMHGGMMESA-N	433.305	5.574	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)cc1	408581030	SSQOYKOGEGSZLW-RQZCQDPDSA-N	432.709	7.429	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1	408581334	WEJUXVRKXLKTEK-WOJGMQOQSA-N	442.317	7.174	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408583965	YYJJADZLGVMMPR-CPNJWEJPSA-N	439.920	5.489	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797377	RLHITQGSPZOPIZ-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408798154	UWGBMORZVXKCMG-FOWTUZBSSA-N	439.334	5.635	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OC(C)C	408806950	NROACDOUQQCNLU-LZYBPNLTSA-N	433.335	6.033	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)cc2)c1	408986353	PYHMFLPPFVEZPT-KGENOOAVSA-N	442.515	5.445	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1Cl	409014428	PPUXEJCJGDYXOP-BTXKWLAHSA-N	433.986	5.369	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12	409203084	VZGFFUYOBNIHNT-JFLMPSFJSA-N	447.991	6.143	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccccc3)c3ccccc23)cc1C	409212170	PTYRBMCRULXVLH-XLNRJJMWSA-N	435.527	5.883	50	40	IKGB	
CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1	409370759	DSDIJWNUDZXWAS-NRFANRHFSA-N	439.943	5.495	50	40	IKGB	
CCCCCCCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	3083740	GPGAMMCBKDCKCG-LFVJCYFKSA-N	431.374	5.839	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCc2ccccc2)N1	9324682	FTVIKDNOPUOSNT-DEOSSOPVSA-N	441.556	5.856	50	40	IKGB	
N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	11853125	GGWPTDMROSHJBJ-FMIVXFBMSA-N	445.273	5.596	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	20197463	GMVASKBOKNFWNY-YDZHTSKRSA-N	427.844	5.061	50	40	IKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1	51331057	WXYFXUHROVISQS-QGZVFWFLSA-N	427.291	5.000	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1Cl	59117234	BTFBGRCNYAMHPO-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@@H]4C[C@@H]3C[C@@H]4Br)[C@@]1(Cl)C2(Cl)Cl	104105618	ZCXWLYHFCQNFFL-HFEZQARESA-N	445.826	5.868	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1Cl	408579246	FHTCXAPKDPBEDX-CXUHLZMHSA-N	449.164	7.943	50	40	IKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC	408763695	QFXMMHPWMVIMPF-JVWAILMASA-N	440.584	5.087	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1	408785533	GYTABCQAUKFORT-YBEGLDIGSA-N	446.175	7.228	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)c1	408798053	UMPYDDYONSAFPI-WSDLNYQXSA-N	441.918	5.953	50	40	IKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408813804	VEDJUDNEALLNCP-RCCKNPSSSA-N	446.934	6.253	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NC[C@@H]1CCCO1	408819329	QBTVYWKEJNNYBP-FGGAIWKESA-N	446.934	5.274	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c3ccccc32)c1	409021836	BGPIFNOBEJCTTB-MUXKCCDJSA-N	441.918	6.162	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	409046258	JPSLMAZZBMUQAA-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1	3085362	JWDLNIHBAJSIBG-RDRPBHBLSA-N	437.543	5.001	50	40	IKGB	
Cn1cnnc1SCc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1	5164272	SSIAYINOKCSZPE-UHFFFAOYSA-N	427.618	5.498	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1Cl	9233824	MKUPMAWBJXNRNI-WOJGMQOQSA-N	447.362	5.889	50	40	IKGB	
O=C(N/N=C/c1ccc(OCCCOc2ccccc2Cl)cc1)c1cccc(Cl)c1	13896111	LFCMHXKXTHHBMH-WGOQTCKBSA-N	443.330	5.605	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCc1ccccc1	40144578	UDYORDPSGLNRMX-BUVRLJJBSA-N	434.495	5.973	50	40	IKGB	
CC1(C)CC2=NC(SCc3ccccc3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1	104146496	JMWBAHCISJJTJC-JOCHJYFZSA-N	434.992	7.179	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cccc(Br)c3)cc21	208458509	ZWUUTSPOJNLXOZ-ZMOGYAJESA-N	426.358	5.153	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1	408549731	XVJDSNUCCIQXMW-QFEZKATASA-N	439.942	7.535	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)c(Br)c2)c1	408600526	CMLAPELEAIWLIC-VCHYOVAHSA-N	427.342	5.646	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	408744355	FBKSTQQJVYSSOE-NDENLUEZSA-N	433.939	6.000	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408799682	ZYZKLFGTPJFALJ-XSFVSMFZSA-N	446.890	5.251	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)ccc1O	408972996	RFKYSBZINDVXGN-UYOCIXKTSA-N	443.739	5.730	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc(C)cc1	409069727	VVQCDIVYIHOFEA-LFVJCYFKSA-N	449.554	6.642	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1	409229687	SWKKZJFKAQWYRM-MLPWYGTASA-N	439.946	6.127	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	1106093	MDRAAUNRGGICFY-WGOQTCKBSA-N	448.522	5.651	50	40	IKGB	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc([C@@H](C)CC)cc3)nc3ccccc23)s1	2109468	STNABBJGHURHQI-ADXYVXIDSA-N	441.600	6.803	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9404892	HRRINYIUPUYSPB-DHZHZOJOSA-N	435.267	6.141	50	40	IKGB	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(OC)c3ccccc23)s1	17098895	OUBQLBMSWISNFF-FOWTUZBSSA-N	434.517	5.195	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc([N+](=O)[O-])c1	33679617	BYLNDNNPTRJBFY-GRSHGNNSSA-N	431.404	5.155	50	40	IKGB	
COc1ccc2ccccc2c1/C=C(/C#N)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3	96398856	HBPRBPOHUDWWRM-IZCBMXNHSA-N	427.529	5.748	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OC)c(Br)c1	108238112	ITOBDCPYEDBOPG-FOKLQQMPSA-N	447.716	5.037	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl	408580425	PKZXOJKOCGFKGS-CXUHLZMHSA-N	449.164	7.943	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2F)cc1	408870728	XEESSGVRBIGOBH-KGENOOAVSA-N	430.479	5.369	50	40	IKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2cccc4ccccc24)cc1)OCO3	409106585	ODESYYNPIDHPOG-HHHXNRCGSA-N	448.478	5.366	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccccc1	409138318	ZVXPWLMRFDWXQT-AYQSFACRSA-N	448.588	5.604	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	409252089	SGXRAPOMTDLBJT-XDHOZWIPSA-N	447.878	5.638	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)cc1	409363327	VZYUYQDQIJJVFV-RCCKNPSSSA-N	430.334	7.790	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)NC(=S)N1	409369128	DCKAKCTYEBOFFJ-IBGZPJMESA-N	446.403	5.915	50	40	IKGB	
CCOc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C	2766540	PYEYWFQCCJAYAZ-LAUBAEHRSA-N	436.943	5.120	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc(C)cc1	4196596	WRAHNVJKKZZRMT-NLRVBDNBSA-N	433.508	5.007	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)c1	33407790	UXPWLHOVUWZKAP-DEDYPNTBSA-N	445.569	6.147	50	40	IKGB	
O=C(O)C12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)C14C[C@@H]5C[C@H](CC(C(=O)O)(C5)C1)C4)(C3)C2	102966908	LPFOQEZPYZNVNW-WEPKVTKLSA-N	440.904	5.351	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1	408591908	WFHHEVPCVUQKRD-BRJLIKDPSA-N	439.302	5.511	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408798238	VHEQNHJZHSRREI-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1OCC	408811894	ATTCALQKSAJMME-MTDXEUNCSA-N	446.934	5.033	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(=O)O)c2C)c1C	408985373	WQMYNIOWWMQMCH-UNOMPAQXSA-N	447.922	5.608	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)c1ccccc1	409044216	UKIDCFCBJVTRCC-LPYMAVHISA-N	430.334	7.790	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	409363449	LWKPDEFRDCRVEL-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1cccc(Cl)c1Cl)c1ccco1	3083163	CXUOKPLGGQRETL-HSZRJFAPSA-N	442.282	6.711	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccc(OC)cc4[nH]3)c2C)c(C)c1	9263616	RCEUHNKEGSVIKV-UDWIEESQSA-N	440.503	5.138	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1Cl	9693122	FSVRIPZSWGUKKB-QGZVFWFLSA-N	430.360	5.521	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OC	16437029	BVNLIXASKYVTHW-WUXMJOGZSA-N	425.699	5.600	50	40	IKGB	
CCOP(=O)(OCC)C(C#N)=C(SCc1ccccc1)SCc1ccccc1	16688018	TVYVNAOKFFRGCA-UHFFFAOYSA-N	433.535	6.812	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)c1C	33637967	FGVAAVUSJKOJEJ-MOSHPQCFSA-N	443.478	5.006	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1	71325864	CQQQANAUVVQBNA-WYMPLXKRSA-N	431.275	5.194	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	86864319	QNEPTKZEXBPDLF-HWAHVBGDSA-N	449.119	8.772	50	40	IKGB	
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](Cl)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C	118940082	UDTZSJGXTVVSNB-FIBXIUFESA-N	433.076	6.960	50	40	IKGB	
N#CC1=CN2[C@H](C=C1)[C@H](C(=C(C#N)C#N)C1CC1)[C@H](c1ccccc1)[C@@H]2C(=O)c1ccccc1	245266904	KPMYTGOXYTXWGB-KCPYNUOSSA-N	442.522	5.053	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)o1	252500990	UBAXBPXLGKZRGF-SFQUDFHCSA-N	431.448	5.532	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	408743531	AURNBZAJEVSJKW-BOPFTXTBSA-N	440.330	5.955	50	40	IKGB	
CN(C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c3ccccc23)cc1	408780684	ICAOVXJSCVYHFQ-NKFKGCMQSA-N	447.538	6.030	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1cccc(Cl)c1	408886625	HQYPILFCOAQJRK-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)o1	408927003	ZFDQBYLIGZYJBZ-GXDHUFHOSA-N	437.839	5.371	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)NCc1ccccc1	409000796	FYWZDDQBMYQEIE-WJDWOHSUSA-N	439.334	5.417	50	40	IKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C	409314674	GTPPDEDZCWSYKO-XQNSMLJCSA-N	448.522	6.239	50	40	IKGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccsc1	1088171	INNRRXQIQHHHTG-KOSHJBKYSA-N	441.531	5.586	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1cccs1	1436506	GLKQJNUAPGNSHR-LJQANCHMSA-N	443.494	5.708	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1c(Cl)cccc1Cl	11289678	WPMNHTLWKDSEFK-GXDHUFHOSA-N	427.243	5.497	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58886681	DXNSWCAHCXUDBH-RVWJGDDESA-N	444.362	5.365	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444759	JVBDSJVZOIOECH-UHFFFAOYSA-N	449.595	5.981	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc2n1Cc1ccccc1	67197098	WOSATRHYEHQXED-OGLMXYFKSA-N	433.515	5.152	50	40	IKGB	
CCC(C)(C)OOC(C)(C)C#C[C@H](/C=C(/Cl)C12CC3CC(CC(C3)C1)C2)OC(C)=O	105348715	PLCZOUFQHLCKME-GVBMHVIYSA-N	437.020	6.176	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc21	223507574	HNBWZPDTPUSZFH-QRVIBDJDSA-N	427.592	6.568	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408796634	BDZZQIORPORLAU-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)c(C)c1	408808799	GEFWAXFDGDOHFB-LPYMAVHISA-N	444.962	6.698	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OC)c1	408823703	FXPTXNSNCKYDTA-CPNJWEJPSA-N	448.906	5.482	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1C	408867094	JVUUKERLPKGIOM-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408952602	VKORBKAVTWMZSB-YBEGLDIGSA-N	437.858	5.131	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1	409207892	CDISWEZNHVCSSM-UQQQWYQISA-N	449.510	6.646	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	409237732	LFYNUSMHJMHRGU-PPDIBHTLSA-N	449.284	5.543	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	409259674	CGJMZNUJSJHMBZ-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(C)=O)cc1OC	1241827	SDCFXWOXXPJBGU-SFQUDFHCSA-N	433.533	5.623	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(F)cc1	1439511	QEBUKSQRNYDNDR-SILNSSARSA-N	436.442	5.744	50	40	IKGB	
CCn1cc(/C=N/NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)cn1	2103494	MXPQGSOWPZZMMW-JFLMPSFJSA-N	425.536	5.180	50	40	IKGB	
CCCOc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1OCCC	12692295	HRCCUVJBEGXKTA-HZHRSRAPSA-N	433.346	5.181	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	28216226	JZMBMSDYMABSQQ-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
CCCCCCOc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	32703899	YIAICWICZYZEBB-LNCXERKOSA-N	444.575	6.230	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	33337406	HVUVNBMLXNBGOU-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O	100500828	HVBHGSAKJPNTEH-ISKFKSNPSA-O	447.124	7.179	50	40	IKGB	
CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528416	MZBAPSDXLFQBSG-CQSZACIVSA-N	442.294	7.689	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1	108845441	HHZCRHYYLJXJQU-MOSHPQCFSA-N	434.879	6.290	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1Cl	408741724	RRSLXMOFPCGXAS-LQKURTRISA-N	445.950	6.063	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1C#N	408743779	YCTCLCNRNNXTJS-MTJSOVHGSA-N	445.316	5.973	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408798187	VCOAYVBJHMGFBW-VXLYETTFSA-N	448.309	5.990	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C)c(C)c1	408804024	CBSJYIVPUCCZHS-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1ccccc1F	408875767	KQUVEYJTIXZNQX-LICLKQGHSA-N	438.861	5.763	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCCC	409075141	VGBRFFBELRDQNI-LTGZKZEYSA-N	434.536	5.547	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409075646	ZMTNVLUIEMDQKH-XMHGGMMESA-N	439.920	5.571	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl	409148346	PISWZAINUNEOHD-NRFANRHFSA-N	441.314	5.387	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3cccc(C)c3)cc2c1	409188067	WRGQXAUPDHBROO-YUMHPJSZSA-N	428.488	5.483	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409391920	KHYLQORSQHXLLF-IWIPYMOSSA-N	440.493	7.016	50	40	IKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3c(F)cccc3Cl)CC(=O)N2C1	9693320	DTJDVCGKPPPSNH-CQSZACIVSA-N	443.931	5.097	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)Nc1ccccc1Cl	33591378	NKYOPRPOUIYUBO-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1O	57476831	MMFRNEUEEFLZFR-YSURURNPSA-N	439.339	5.059	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(F)c1	59137345	GVSCALNIUWSDTG-YVLHZVERSA-N	438.300	5.541	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-]	59401542	FLTQLCNTAQIEIS-JVWAILMASA-N	439.471	5.399	50	40	IKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1	59417839	QTSLDSMPXUIJNK-BRJLIKDPSA-N	447.705	5.630	50	40	IKGB	
CCCCCCCCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CCC	97950485	IKWAQMXUJMBZOZ-UHFFFAOYSA-N	436.765	9.947	50	40	IKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1Cl	108107747	UWYOLMNXZRDIEP-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
O=C(O)C12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(C(=O)O)(C5)C1)C4)(C3)C2	195528728	LPFOQEZPYZNVNW-MRPSVKOBSA-N	440.904	5.351	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc(N2CCCC2)c1C	408552625	KKHAKSRYJGBQET-CPNJWEJPSA-N	430.577	5.261	50	40	IKGB	
O=C(NNc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735394	PLLJMRZNRCVLJX-UHFFFAOYSA-N	429.483	6.238	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408743287	FNDGOPNENMBGTA-ZHZULCJRSA-N	443.459	5.118	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1	408752407	ALEOHYIXISLZLT-FOWTUZBSSA-N	447.834	5.013	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)c(Cl)c1	408753448	MTNIHPQMQHHPBO-NUGSKGIGSA-N	428.102	6.324	50	40	IKGB	
CCOc1ccccc1/C=N\NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	408973563	YXAXGUFUBSMQTQ-AFPJDJCSSA-N	427.740	6.024	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	1773172	BAUFMTPMRKHKAN-SFQUDFHCSA-N	437.282	5.758	50	40	IKGB	
COc1ccccc1-c1cc(C(=O)NNC(=O)Nc2cccc(Cl)c2)c2ccccc2n1	2764679	HBMPZUMZNGEAME-UHFFFAOYSA-N	446.894	5.030	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@@H]1c1ccccc1Cl	3248628	RBXCPVSGBCESAD-GOSISDBHSA-N	447.947	5.204	50	40	IKGB	
Cc1c(/C=N/NC(=O)CCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl	4108757	XIEHRQUSHIPBSU-OGLMXYFKSA-N	429.951	5.734	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3C)c3ccccc23)c1	8811225	NQZGMQVCNGVVSP-LQKURTRISA-N	441.531	5.088	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)c(C)c1	13955387	KRIFAMCDJWNUHW-CULPDNDYSA-N	430.508	5.570	50	40	IKGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)C(c1ccccc1)c1ccccc1	16477666	GKIRMWHMFILNPR-DOJSKZQGSA-N	434.499	6.090	50	40	IKGB	
Cc1c(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2n1Cc1ccccc1	18195019	MSVBKRYCXZSIEY-UXHLAJHPSA-N	447.538	5.550	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccs2)[C@@H]1c1cccs1	19371545	PDLZOMBDWSRKFQ-FUAYJARZSA-N	443.597	5.471	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(C#N)cc3)ccc3ccccc23)c(C)c1	20195323	LMAOSACEGLDUBP-FDAWAROLSA-N	447.538	5.600	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1	20764419	WJGVNPYFDANVLV-LQKURTRISA-N	429.495	5.300	50	40	IKGB	
C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	21548861	AMPDCGBCMQKCIE-XMMPIXPASA-N	446.572	5.444	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)Sc1nc2ccccc2s1	35074377	DQIRWBQHIZADPD-FYJGNVAPSA-N	448.576	6.828	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	59282244	CRZSGOGQNGPWME-GZTJUZNOSA-N	447.834	5.013	50	40	IKGB	
Cc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c2ccccc12	102919484	PNWFBPATXANERR-UHFFFAOYSA-N	431.539	6.951	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C	107654785	UVAFZEQCLUEIQL-RWPZCVJISA-N	445.950	5.982	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1	408800805	RCJZVBWEUKYPHS-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
N#C/C(=C/c1cc(/N=N/c2ccccc2)ccc1O)C(=O)N1CCN(c2ccccc2)CC1	408858593	ZKQMKMKBHYJAJV-KHDGEAMVSA-N	437.503	5.063	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4cccc(Cl)c4Cl)o3)oc12	408970441	HVUIGWQCLUZSTP-BHGWPJFGSA-N	429.259	5.772	50	40	IKGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)c1	408982558	HQZSNEDIYYDWKK-YVLHZVERSA-N	434.879	5.549	50	40	IKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409066098	LPYDYFWZHOZIEZ-LDADJPATSA-N	442.437	5.553	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	409240119	OOBVIFQKBFHQPN-JQFNYASXSA-N	443.341	5.031	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)o2)c(Br)c1	1188178	PIAHTWUAKGZDDE-SDNWHVSQSA-N	425.257	5.702	50	40	IKGB	
CCc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1	8454677	GNBUKQKSXXBRTK-MTDXEUNCSA-N	427.573	6.297	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	10130430	WVUCQEBBXVVEKJ-WPBJZHHJSA-N	433.335	6.033	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34C[C@@H]5C[C@@H](CC(Cl)(C5)C3)C4)cc2)cc1	13302119	XKNCIDWHQQPVIT-ZWRBBVPRSA-N	446.978	6.070	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2)[C@@H]1c1ccccc1	20528799	YEKVTNGTKRIZFW-HTCWZNLXSA-N	431.539	5.348	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20760366	USQQSUNWHLOKNK-VULFUBBASA-N	446.348	5.524	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1C#N	35201401	SRMFUKOJQUGJCM-FBHDLOMBSA-N	444.874	5.562	50	40	IKGB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1	50575571	UNHUWKFYSVNWGA-HMMYKYKNSA-N	431.499	5.878	50	40	IKGB	
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCCCCl	104328949	ZCBMFFBZHNUPOS-UHFFFAOYSA-N	444.168	7.488	50	40	IKGB	
COc1cc(C)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1C(C)C	408567708	GDSVFURUOOBHAN-ZMOGYAJESA-N	444.622	5.135	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	408568421	UBHWQYWAEJUOEV-VULFUBBASA-N	429.347	6.244	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C	408586495	CGNJJYREEHEWMH-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccccc1	408746272	RJCYABQNRBQGGA-JLPGSUDCSA-N	438.527	5.857	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1	408885908	GQODTGMJKZINEF-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)c(C)c1	408941551	WCOSBNKBKWKEMC-UCQKPKSFSA-N	441.531	5.352	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)c2C)c1	409391972	MEPUOZALCGMTSM-NDENLUEZSA-N	440.503	5.220	50	40	IKGB	
CCc1c(C)sc(N2C(N)=C(C#N)C(C(F)(F)F)(C(F)(F)F)C3=C2CCC3)c1C#N	721290	NPWHZIHIOXLJEJ-UHFFFAOYSA-N	446.420	5.553	50	40	IKGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	941249	DGUOIFFHBNLDFT-LTGZKZEYSA-N	449.510	5.412	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1	1801174	NNUJKXVGEWPRDT-HUUCEWRRSA-N	431.555	5.487	50	40	IKGB	
C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	2848461	CBXXYNLHFKAMDN-OQLLNIDSSA-N	449.675	5.029	50	40	IKGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	3321051	BCYXHQYLOIICSX-HZHRSRAPSA-N	440.499	5.215	50	40	IKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(C)o2)c(C(C)(C)CC)c1	3515418	LEYXQOKLFKJPEA-OVVQPSECSA-N	426.601	6.273	50	40	IKGB	
O=[N+]([O-])c1ccc(N/N=C\CCCCCCCCCCBr)c([N+](=O)[O-])c1	8652240	YMWAONQOJARCNG-UYRXBGFRSA-N	429.315	5.807	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc4ccc(Br)cc4cc32)cc1	8781876	NYBKUJBWIBQFBN-JOCHJYFZSA-N	433.349	6.118	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl	15188735	QPSNJMDCYHPJIX-ZRDIBKRKSA-N	428.231	5.707	50	40	IKGB	
Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1	38680124	SUJYTQHHTJICIK-OAQYLSRUSA-N	434.854	5.225	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC	59254498	VTWBJWSFQWEUBL-MHWRWJLKSA-N	437.293	5.165	50	40	IKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c3ccccc32)c1	107720290	VRLWDXYMLPYDQW-JCMHNJIXSA-N	449.510	5.330	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(C(=O)O)cc1	107905036	DBKSAKOXUQJWAX-ODLFYWEKSA-N	447.321	6.759	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1	408734174	FEJUNCSNZRKKMD-DEDYPNTBSA-N	433.939	6.000	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1	408807657	DRIGFPGKNYGFEH-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2)c2ccccc12	408818239	UXGOHULTXXVINX-CJLVFECKSA-N	435.527	5.861	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc(C)c(C)c2)c1	408851604	LPPPRRYWEHJOMF-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1	408859079	VZCSEPDNODFRKD-UNOMPAQXSA-N	447.922	5.554	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccccc1	408864284	VAKTXRZZIUCRCT-STZFKDTASA-N	425.919	5.566	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)c([N+](=O)[O-])c1	408899465	PQAWDZYTTWMMEZ-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)s1	1436422	OOWZMJIXJWJKPJ-NRFANRHFSA-N	437.996	6.004	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1	2366727	WDZRLBOAOPWUFL-UVHMKAGCSA-N	436.298	6.079	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)C)cc1	4047930	WCZJIHCOLAJVIS-QQXSKIMKSA-N	433.555	6.916	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc2ccccc2c1	33734838	FMRRBZLYHAXUEY-ITYLOYPMSA-N	445.949	8.290	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1F	34864383	KZQVTVSMFDATJI-SXGWCWSVSA-N	432.709	7.429	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c1	59201237	HPURFRVZNGRTEX-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	100633220	SCGHXNNURRYBTD-JOCHJYFZSA-N	447.516	5.123	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc21	208470254	VRXGWMPAEFYKMW-LSCVHKIXSA-N	441.966	5.980	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)ccc1Cl	408542183	HKNOBUSKROWAFB-MHWRWJLKSA-N	431.879	5.944	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F	408579961	MAGKTMUOKGUUJF-VCHYOVAHSA-N	428.290	6.784	50	40	IKGB	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408724062	DIOZOAQJUVUORE-TURZUDJPSA-N	448.551	6.032	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c(C)c1	408788690	MAJDAYVIGMCSBB-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408878397	AKECOICSRRWFGY-ZVHZXABRSA-N	428.963	6.710	50	40	IKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1F	408882361	MSDOQEIGKQYILM-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)o1	408892186	BRGLFAWMQJRYKT-JLHYYAGUSA-N	442.258	6.016	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc2ncccc2c1	408967735	UEFXZAITXUUGIC-NDENLUEZSA-N	426.907	5.841	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1Cl	408983061	JYOMSVGNXMAHIR-MFOYZWKCSA-N	442.321	6.394	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c1	409258007	SQCNOPLNOATWQD-HYARGMPZSA-N	439.515	5.175	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1	13595867	BHNZAAAOVGLWBS-UFFVCSGVSA-N	449.026	5.035	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1[N+](=O)[O-]	28217570	IEQFYCRGHSCANR-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1C	59297345	ANIQWWGOQPQHPV-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C	59679565	RBKSBIIWGKKKBD-VULFUBBASA-N	448.592	5.065	50	40	IKGB	
Cc1ccc2c(c1)NC(C)(C)C1=C2/C(=C/c2c3ccccc3nc3ccccc23)SS1	100517726	LFLOFHGTHDUDGF-IWIPYMOSSA-N	438.621	8.048	50	40	IKGB	
N#C/C(=C\c1cc(/N=N\c2ccc([N+](=O)[O-])cc2)ccc1O)C(=O)Nc1ccc(Cl)cc1	100873869	HGBFMESRQIVYGF-KVDVQRIESA-N	447.838	5.915	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	209647721	DVHUPQILOBBZOB-YVLHZVERSA-N	441.325	5.185	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cccc3ccccc23)c2ccccc2n1Cc1ccc(F)cc1	408586547	CLEVMKAWBWLTNH-OCSSWDANSA-N	435.502	6.054	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408787945	BFGGZPRCDZAYKY-QRVIBDJDSA-N	447.586	6.400	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)cc2)cc1	408805248	FISNGWKHPDKSCG-PXLXIMEGSA-N	442.515	5.527	50	40	IKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408835258	YCZWYLXGPZOGDM-RIYZIHGNSA-N	435.307	5.345	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc2ccccc12	408897747	SWEFDFFKBJUROU-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)s3)oc12	409022606	CJWMUIYDPIGPFP-FSJBWODESA-N	442.949	6.071	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NC1CCCC1	409192722	ZRNRBHXIVILWAF-HKWRFOASSA-N	441.487	5.293	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)c1cccc(F)c1	409390380	FDOLPJAAFMOSLS-ZDLGFXPLSA-N	426.260	6.370	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1	1452501	MBARLIANCJKEAH-QZMYASAMSA-N	436.490	5.463	50	40	IKGB	aggregator
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1Cl	9693334	OSUCIHCLORLJEN-FQEVSTJZSA-N	437.996	5.991	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2F)c(C)n1-c1cc(Cl)cc(Cl)c1	13115921	JJGKWORMUZUIQT-GIDUJCDVSA-N	446.284	6.225	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	33423518	YOGJVOOFDQLSRL-LGJNPRDNSA-N	448.862	5.224	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)[nH]c2c1	33771682	LERPXUXJWYANBT-PDGQHHTCSA-N	434.326	6.821	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)F)CC[C@]4(C)[C@H]3CC[C@@]21C	118932685	VHEUYXQCGHLVPE-DTHNQABZSA-N	432.664	8.503	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)c1ccc(Br)cc1	408581350	WIAYHRGHMXANBB-CPNJWEJPSA-N	431.308	6.655	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(Cl)c1	408735642	VNEIUSILKSFRKZ-MDWZMJQESA-N	427.243	5.497	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(Cl)c2)cc1	408801046	SIZKKLUIQNTRFR-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2cccc(C)c2)c1	408806770	BQSWRICNMPUFRX-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(OC)c2)cc1	408870875	VXAWEFAEHCXLOU-KGENOOAVSA-N	446.934	5.884	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccccc1F	408880249	FQOUIMQUTUEYTB-XMHGGMMESA-N	435.296	5.725	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)cc1	408886043	HHEASBDMXXFVGQ-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)OC(C)C)cc3C)o2)c1	409115686	NKGNADBEQYZRNO-KGENOOAVSA-N	442.515	5.983	50	40	IKGB	
COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409216647	NCGSJSXZINJSEZ-DNTJNYDQSA-N	448.169	5.007	50	40	IKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(F)cc1	409224088	IWFXRLWCTLZNCB-ATVHPVEESA-N	449.869	5.042	50	40	IKGB	
N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1	720245	MVKCBXZINPKDPC-IBGZPJMESA-N	445.391	5.288	50	40	IKGB	
CCc1ccc(OCCCOc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)cc1	9553500	CSMHKHMPLNZCJB-OVVQPSECSA-N	436.939	5.514	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Br	9971474	SJLOYCHIABVTPW-SRZZPIQSSA-N	448.114	5.236	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc(Cl)c1Cl	16449842	ZOPAMUHLCSXBRO-ATVHPVEESA-N	441.289	6.257	50	40	IKGB	
CCOc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC	19648232	JWNJZGYKYFQTBK-AVRWGWEMSA-N	448.950	5.632	50	40	IKGB	
Cc1ccccc1-n1ncc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1C1CC1	29738718	ZVVPNJNFRNDRJJ-UHFFFAOYSA-N	435.742	5.775	50	40	IKGB	
CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CCCCCCCCCC2)[C@H]1c1ccccc1	35193603	YOGAOZLYRMFDBV-SHQCIBLASA-N	431.580	5.804	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1	39884600	KATWPZOFEKNJTO-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1	59447319	MKJQMELIEXHSCN-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CC[C@@H](C)n1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21	408552209	IBDAYTLDJMLQOT-QRYYFKOISA-N	428.561	5.970	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	408814076	PVIMHGWQMRNRAH-UQQQWYQISA-N	448.522	5.651	50	40	IKGB	
COCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408864029	WMLZLKDJHPDKAV-GZTJUZNOSA-N	442.346	5.056	50	40	IKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl	408888514	WJJVVRDEYDJHCQ-ONNFQVAWSA-N	426.643	5.109	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1	408942607	ZPSBOLPTVSFMLJ-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1Cl	408947363	CELUUTXWJWLSHJ-STZFKDTASA-N	442.950	5.495	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	409225714	OEYXOQHZHVEYPM-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	409235248	AUTBHHZWMBLLHB-SMEDBKPVSA-N	438.358	6.185	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)ccc1OC	409321364	GDTXOLABJBQLDG-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1	17097270	PAHAJTOCINJBQJ-CYVLTUHYSA-N	430.939	5.549	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1	20133032	URFHNVYUSCEAPY-MRXNPFEDSA-N	433.371	5.768	50	40	IKGB	
Cc1ccc(C)c2c1-c1ccccc1[C@H](Br)[C@@H](Br)c1ccccc1-2	68565016	VQPRVYOHAKPSEI-VXKWHMMOSA-N	442.194	7.523	50	40	IKGB	biogenic
CCCCCCCCCCCCCCCCCCCCCCCCCCBr	100887758	CCSZHMUGOPQUDX-UHFFFAOYSA-N	445.614	10.764	50	40	IKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C2=C(O)CCCC2=N1	104119001	JILIBZVYKANULS-HSZRJFAPSA-N	447.535	5.775	50	40	IKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(O)CCCC2=N1	104148448	CGDJQJKIAWFZMG-OAQYLSRUSA-N	449.601	6.006	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21	208241912	JYCVGVZCYLHGTH-MEFZMRIGSA-N	428.363	6.261	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)c3ccc(Br)cc3)cc21	223508789	HYHSSOZLSVYFRC-MTJSOVHGSA-N	435.409	7.232	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(O)cc1	408811048	KWJIQTCFXBFAOJ-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408911624	KNIACRKLKLJMFB-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl	408979627	NKOACWQOFUMHPL-XYCMHOAJSA-N	440.330	5.005	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)c1	409002447	UVFBEOOEEYNCNC-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NCc1cccs1	409204768	JJNMCNQVXFILDR-LFIBNONCSA-N	426.900	5.343	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1Cl	409316256	YDKKCXQGZGBSQS-INIZCTEOSA-N	446.359	5.012	50	40	IKGB	
CC1(CC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)SCCS1	409364676	OMFWTQOFNIFUNM-PCLIKHOPSA-N	436.602	5.455	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl	1453296	ZVAAHXHFFKFIDS-UKTHLTGXSA-N	431.706	6.761	50	40	IKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1	9693594	UQKHCWOFDHQYBG-MRXNPFEDSA-N	443.931	5.097	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C2CCCCC2)cc1	33397888	OXFSUQHJCGKNMA-JJIBRWJFSA-N	441.550	6.827	50	40	IKGB	
CCCc1ccc(/C(C)=N/NC(=O)c2cccc(COc3cccc4ccccc34)c2)s1	33523456	JLLHONHSAHUPRF-TURZUDJPSA-N	442.584	6.587	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1	59536054	KFDLYOUMIQSBJU-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1C	108974366	APODCPWJMFMENI-WQRHYEAKSA-N	427.464	5.260	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccc2ccccc2c1	408552403	SWMWLXWKMKAOEW-UCQKPKSFSA-N	438.914	6.575	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCC	408567489	NUFHAXXMAVOEQV-MFOYZWKCSA-N	444.272	5.024	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc32)c1	408734525	HKBYFVJXZWGNKV-FYJGNVAPSA-N	439.946	6.506	50	40	IKGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1Br	408755765	WEVOJMUBJCYGDK-VCHYOVAHSA-N	435.277	5.073	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1	408772914	NFJIHWVYKPFMHP-CYVLTUHYSA-N	431.923	5.164	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1	408794295	IPQCYPFFOYNTFQ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	409115421	MKPMDJXVTZQZPE-VBYICHLGSA-N	425.985	5.687	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	409264317	DLUZUEDORFQABL-KGENOOAVSA-N	427.460	5.293	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1	409272003	XMRQKCFIXNPQCS-VYYCAZPPSA-N	449.938	5.047	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	2166573	PZNUKVNJVJFHLX-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
CC(C)c1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	9446185	HNTBJTHPWNTBQD-XUIWWLCJSA-N	434.584	5.094	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1	32116849	MCZCWRHGCZGUPC-QRVIBDJDSA-N	425.897	5.472	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	59282010	GFXSAMSAUNEWOG-XSFVSMFZSA-N	432.907	5.863	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1	59427233	PTQLUUZLSSVCNR-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1F	108093328	DZSPBHVHSOYPFR-BOPFTXTBSA-N	442.715	6.885	50	40	IKGB	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2C1(CBr)OCCO1	253617494	PXLRPEYMUKKRQS-UESMIQOUSA-N	441.450	5.144	50	40	IKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)c(C)c1	408706697	CKEDPLJSKKYWRM-MZJWZYIUSA-N	448.954	5.406	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc2ccccc2c1	408780430	YFTNYTXFDLHTNO-MYYYXRDXSA-N	440.543	5.587	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)cc1	408874678	FACAPZLFBBEFBU-XIEYBQDHSA-N	446.550	6.835	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl	408894005	HZZXMDRIPYGUMA-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)c(C)c1	408932508	CRGOMDOGXQHNBC-LQKURTRISA-N	439.515	5.106	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C	408988922	SDKYJUHGZFVTNA-LDADJPATSA-N	434.883	5.510	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409217508	WIZFCVXOLJUIRH-PDGQHHTCSA-N	425.271	6.545	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1	409226467	SVVWMQQVWAINBN-WKIKZPBSSA-N	446.812	5.342	50	40	IKGB	
CCC[C@@H](P(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	1733212	ZIWMBADTCMZNOH-NDEPHWFRSA-N	442.479	6.260	50	40	IKGB	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	2632699	LCEFKQAOYRDMQB-RVDMUPIBSA-N	432.833	5.254	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OC(=O)c1ccco1	9662528	CWWGPXKDGJIOEO-SFQUDFHCSA-N	426.428	5.087	50	40	IKGB	
COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2ccc(C)cc2)c2ccc3ccccc3c2O1	12464964	VYPWHNLSCLYBIG-AREMUKBSSA-N	446.506	5.846	50	40	IKGB	
CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)N3CCCC3)c3ccccc32)cc1	15931738	GSXUZUUNWICLQB-DYTRJAOYSA-N	441.575	5.547	50	40	IKGB	
C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(C(C)(C)C)cc1	17264708	YCZJXOIIXVNMAR-HZHRSRAPSA-N	433.415	5.520	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1Cl	71325863	YXXHFDPPCMQQHN-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(C)c1	97990547	KDGDGHFJAADEAH-WQRHYEAKSA-N	445.504	5.007	50	40	IKGB	
Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N(CCCl)CCCl)cc1	104333334	QYWWTPQVXUFNDH-FVDSYPCUSA-N	425.403	6.637	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)c1nc2ccccc2[nH]1	113830802	UGXLVAQHLYTAEL-GZTJUZNOSA-N	448.295	6.108	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(F)cc1	408807020	NWTBGVHOUASQHF-OUFZILDSSA-N	436.527	5.405	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccc(C(F)(F)F)c1	408962860	KNPKCODXXUSWGD-UVHMKAGCSA-N	432.829	5.702	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccccc1Cl	408976145	PQRQXYOZQJZQPC-LHNPFCBBSA-N	426.944	5.204	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2c1	409188040	WOETWAZBAZMOLS-DICXZTSXSA-N	429.520	5.620	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1	409208613	DCUQPDQZSBBLKP-MZJWZYIUSA-N	448.979	5.538	50	40	IKGB	
N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1	1191173	LQYOZSBDKBQDPM-WQLSENKSSA-N	449.841	6.188	50	40	IKGB	
COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)CCCCl)CC2	3006529	BZAXCGDLWQLUFJ-QFIPXVFZSA-N	445.987	5.351	50	40	IKGB	
COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3ccc(C)cc3)CSC2=C1C#N	9693487	GKRBRAUTBUDJFJ-NRFANRHFSA-N	441.556	5.376	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1	20132933	BWKMDQFIKXRKLI-MRVPVSSYSA-N	440.588	5.604	50	40	IKGB	
Cn1c(/C=C(\C#N)c2nc(-c3ccsc3)cs2)ccc1-c1cc(Cl)cc(Cl)c1	67299999	FBIINCDAQVGYGB-OVCLIPMQSA-N	442.396	7.248	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1	209402212	OKQQJKDZBMCTMV-PCLIKHOPSA-N	443.974	7.419	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)c1	408526243	BEJALOSYIQIHOC-NDENLUEZSA-N	435.321	5.707	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)O	408579966	MBSNUVDFTIQKPI-LFYBBSHMSA-N	426.683	5.573	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408885198	XSORBUIXCATTHS-CIAFOILYSA-N	430.935	6.102	50	40	IKGB	
Cc1sc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c(C#N)c1C	409001135	URUMLQWVXFEPJT-VYYCAZPPSA-N	426.545	5.561	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	409017997	GXNQDTFJFCBJJO-ZTKZIYFRSA-N	438.527	5.015	50	40	IKGB	
CCCOc1cccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)c1	409309076	BBGPCZDEDDWQFW-IMRQLAEWSA-N	432.520	5.217	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)n1	409383642	YURDARGOGMGMRI-XDHOZWIPSA-N	436.309	5.089	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1COc1ccccc1Cl	1070296	DYVJMPPDNGYFLK-JOCHJYFZSA-N	434.923	5.370	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1	2768381	JHNSRVIDXGHMIG-RNODOKPDSA-N	445.733	5.855	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	9907405	VVCSZDYCPSAANL-HAHDFKILSA-N	430.511	5.669	50	40	IKGB	
N#C/C(=C/c1ccc(F)cc1)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1	16400154	CZHNMXYSOKUKGJ-ACAGNQJTSA-N	443.286	6.427	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1	33339017	RITDZEBBRNJZCV-RGEXLXHISA-N	446.890	5.251	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	33361332	ADNJYYSLPMZDHT-LGJNPRDNSA-N	448.866	5.224	50	40	IKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1	35239928	GMLSYLMWYNTJBA-ATVHPVEESA-N	449.869	5.042	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)Sc1nc2ccccc2s1	108027093	LQAFAOLWTSGQHV-DEDYPNTBSA-N	434.973	7.185	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	108043809	GPIFLIIKBSFQEE-ZVHZXABRSA-N	431.473	5.152	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)c(C)c1	408807313	HANIWLNZJHTRDU-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1cccc(Br)c1	408850588	OQUMDVSXJILTAF-UITAMQMPSA-N	431.909	5.631	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408874539	DJJSVVXXRVXNHO-WIIRJQBJSA-N	431.363	5.849	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1	409044767	DEMHTHPTTPCEGC-LZYBPNLTSA-N	447.318	5.360	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(Br)c1	409088873	LZGIYTLEVBUJLA-YDZHTSKRSA-N	445.769	6.018	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC	409379029	UKCARSKTCVDWPZ-HXGLEVQOSA-N	442.865	5.238	50	40	IKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)s2)cc1	1769977	WQVRXDRGABGNBS-UFFVCSGVSA-N	449.026	5.035	50	40	IKGB	
COc1cccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1	8782214	GHDYBUFYXXTNOR-NBVRZTHBSA-N	445.975	6.668	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1Cc1ccccc1	33412033	XXFQECMRNVMKGP-ZMOGYAJESA-N	432.505	5.040	50	40	IKGB	
O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1c[nH]c2ccccc12	85565073	RVJFGIDHQGONFG-MZJWZYIUSA-N	437.330	5.911	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C3=C(O)CCCC3=N2)cc1	104092675	QFZGPWMZMFASKJ-HSZRJFAPSA-N	447.535	5.775	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4ccc5ccccc5c4)cc3)[nH]c2cc1C	108989455	ZZSZEBOIGBPDOV-MYYYXRDXSA-N	429.523	6.976	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408744722	GUGSIUKHICMTFZ-YBEGLDIGSA-N	444.749	6.600	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(I)cc1	408769638	XYFPRIDZUCZFBZ-PDGQHHTCSA-N	442.275	5.902	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1F	408873354	PTGUQJXCAVGUBN-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	408922881	HHUYMPIWOSLSIG-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	409199338	CBFNDWQJQZYKBU-UNOMPAQXSA-N	435.277	6.000	50	40	IKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409264843	GHSPJXCUIMQOOI-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
COc1ccc(C(=O)N/N=C(/C=C/c2ccccc2)c2ccccc2)cc1Br	2134178	ORGAGNUZOKIKNF-FGMKUNLZSA-N	435.321	5.305	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	2411990	CTAQUUKXWUHXFM-OGLMXYFKSA-N	444.531	5.284	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1	2632738	XDDYUBYECNDLTC-GHRIWEEISA-N	447.422	5.471	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1ccccc1	9261782	USPWQHZJXTXCSM-GXDHUFHOSA-N	427.685	5.908	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1	20229524	GDZUIUZLJCHXCN-RQZCQDPDSA-N	430.920	6.093	50	40	IKGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	28218022	VXVISHJRUUBRGY-ZVHZXABRSA-N	445.357	5.084	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C)c1	59117249	ODDNJRZQAKFLFD-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	59117667	GSMSDQNLHVUDAI-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473371	WCZQTUIGEKRCDT-WGOQTCKBSA-N	438.980	6.185	50	40	IKGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473661	RBDHNIJOUOQJJG-YDZHTSKRSA-N	425.897	5.304	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1cccc3ccccc13)[C@@H](C)CC(C)(C)N2C	208211742	XTUSGIDPWOXPAU-IHQKUFHXSA-N	429.564	5.399	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(F)cc1	208454447	IEJHJTRGXYAMNB-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C	223544391	PZMGWSRKUNNYBV-HSOLMKNUSA-N	427.976	5.370	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c(C)c1	408752702	GDBJZCUXZYJXPX-RCCKNPSSSA-N	448.526	5.443	50	40	IKGB	
CC(C)c1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C(C)C)c1O	408859064	VJERQSOWZAAMAD-OGLMXYFKSA-N	430.548	5.025	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	408861621	TXCDALNGJOOIFZ-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	409018517	MNIDKZPTZKTDGU-RQSOKRQSSA-N	435.307	5.689	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1C#N	409060406	ZOWHUDZTTZTYKQ-RWPZCVJISA-N	447.922	5.262	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1	9097054	OXUNBFPUGZJMQQ-XMHGGMMESA-N	445.482	5.251	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151778	MXDZATSNMGOBQN-XSFVSMFZSA-N	439.540	5.623	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	28217030	WQOIPVMXQCFTFW-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1cccc2ccccc12	59334896	XVWMNUVTCGXUSI-JLPGSUDCSA-N	440.543	5.541	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OCC	59473391	UOYNGAUFSSNMFK-WPWMEQJKSA-N	448.588	5.681	50	40	IKGB	
Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N/N=C/c5c(O)ccc6ccccc56)(C4)C2)C3)cc1	100490014	CLJJGUDVUYJPBR-AKWOEDCASA-N	438.571	5.842	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OC(C)C	137888726	XSUXJTPHCCDLQV-VGOFMYFVSA-N	438.833	5.700	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1	408788633	DZNDYDCSWTYGOV-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc(F)c1	408793565	FKFYHHKXKYTCNN-XDHOZWIPSA-N	432.451	5.055	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2F)cc1	408882233	QMPNMAFJNWENRB-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
C#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408935390	DSFARFGAGMWBSA-QFEZKATASA-N	447.288	5.124	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)c(C)c1	409007428	OQAQDMJJOZCJGH-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)o2)c1	409022917	WBMQCEFORUXWJO-ROTLSHHCSA-N	436.851	5.205	50	40	IKGB	
FC(F)(F)c1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1	504419136	MMATZKLKDIFQSM-UHFFFAOYSA-N	428.439	5.656	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1O	940842	XMGFSBSUBRQNLD-LDADJPATSA-N	432.501	5.152	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2	1395049	HMVJMPLMHHYUCV-OEAKJJBVSA-N	431.495	5.821	50	40	IKGB	
O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1ccccc1)c1ccc2ccccc2n1	3184813	KXVKPJZDQUYTGR-YZSQISJMSA-N	441.560	5.113	50	40	IKGB	
Cc1ccc(Nc2ccccc2C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(C)c1	3193762	ZGAWHWLAOGZHFG-UHFFFAOYSA-N	445.563	5.319	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccco1	9127830	GBAPBSXYWZDQAI-IBGZPJMESA-N	429.339	5.260	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccn2c1C(=O)c1ccc(F)cc1	12621332	KUGSUHORRSNICK-ZAKOFXSSSA-N	443.522	5.220	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(Br)c1	408542351	LASJIKXDGVBRRA-YBEGLDIGSA-N	447.288	5.807	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)cc1	408795939	NRQCOYJHNQOUEU-XQNSMLJCSA-N	440.499	5.296	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Cl	408884603	XVEJVQROAWTFNP-ONNFQVAWSA-N	426.643	5.109	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c1	409015774	FOMGWMGXRSTUIO-ZMFRSBBQSA-N	449.894	5.044	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)cc1Cl	409195360	PAQLLVPRYCMLGV-WYMPLXKRSA-N	449.359	5.335	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	409224080	IVPQSXDPSOFBNR-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1	1905805	SOTTUWFLUCAAFQ-LDADJPATSA-N	435.980	6.230	50	40	IKGB	
Cc1nn(-c2ccc(Br)cc2)c(O)c1/C=C(\C#N)c1nc2ccccc2s1	8935078	KUPGNZLQUUZZGZ-JLHYYAGUSA-N	437.322	5.323	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1Br	20760632	ZIHVOGQBIWAXEP-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2cccc3ccccc23)cc1	34687347	ZJBBJTNJBHECSK-PKAZHMFMSA-N	439.471	5.020	50	40	IKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)c1	35154634	GJFUYZMUCKJGTI-WPWMEQJKSA-N	432.520	5.114	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccccc1Br	408570134	RVBLVXSWEFJWQI-YBEGLDIGSA-N	435.300	5.936	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c1C	408799008	XWSQKXGRCFFTQX-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccccc1	408852941	JUIKPRIUUVEYTR-FYJGNVAPSA-N	434.333	6.491	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)c(C)c1	408864848	ALNAGUYCDXBVIU-CIAFOILYSA-N	435.354	6.747	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OC	408866294	HDVZYSIIFNBGKV-JVWAILMASA-N	444.556	5.213	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc(C(F)(F)F)c1	408961117	AENNQYPNQXWZDJ-KIBLKLHPSA-N	436.773	5.081	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C	409065889	VCYBNBFRQDFVEJ-UDWIEESQSA-N	448.364	6.019	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1	409215831	FQCFVBQJNMPMEB-GRSHGNNSSA-N	439.298	6.853	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NCCCc1ccccc1	409232371	OHYYAEZPVXJOPP-USHMODERSA-N	446.550	6.075	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC	409310033	PKJVPQWFOYCVQF-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1	409361716	POEBOICAOGRRML-MYYYXRDXSA-N	437.337	5.029	50	40	IKGB	
CC(C)N1C[C@@H](COc2cccc3ccccc23)O[P@@]1(=O)N(CCCl)CCCl	1570501	WKAGVXBUKRAMFF-JMQGSBJISA-N	445.327	5.216	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc2c1CC[C@H](C)C2	2670700	FFGBUAPTKUBPKZ-TWQQJCIXSA-N	444.556	5.748	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccc(Br)s1	8454804	MBUJHVGMWPVWBW-CJLVFECKSA-N	437.403	6.007	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O	8914179	YBHIHEHYVIXERT-MLPAPPSSSA-N	447.741	6.004	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1C	9261802	GMSMYUBOAINXFZ-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	9305793	WVYZAADRANTSCE-LGJNPRDNSA-N	443.330	5.410	50	40	IKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1	9693593	UQKHCWOFDHQYBG-INIZCTEOSA-N	443.931	5.097	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	15012554	IMYUUDTZLFYOGG-PDGQHHTCSA-N	446.337	6.542	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	16158188	BRPAUIRIENXJBH-GDNBJRDFSA-N	448.841	5.907	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1Br	34869876	MOBZVSAUAMHHNK-JYRVWZFOSA-N	435.090	5.427	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)nc2c1	107618608	QSPYBJAUSVERIN-ZROIWOOFSA-N	438.712	6.611	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Br)cc1	408589135	YYSOUPHDUNAOSD-YVLHZVERSA-N	446.175	7.228	50	40	IKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408794000	RCCXKGXKVCYGHL-WUXMJOGZSA-N	440.124	5.619	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1	408804594	YRNLYYXENZGADZ-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccccc1C(=O)O	408888750	ABCPZJNLPWXPLA-PXLXIMEGSA-N	448.478	5.663	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Cl)cc1	408933910	CDJIUXPZMZMVTJ-PDGQHHTCSA-N	433.851	5.373	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1	409070794	ZHYJEWUJTJFILS-DEDYPNTBSA-N	439.471	5.303	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	1452498	LMXYERUNYZFSLD-OHQZHEALSA-N	432.527	5.632	50	40	IKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2C2CCCCC2)cc1	2211343	QWGGVKGTDLHJKV-WGOQTCKBSA-N	447.608	5.310	50	40	IKGB	
O=C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)N(CCCl)CCCl	4743864	GXEINDSIKQZSIG-UHFFFAOYSA-N	427.375	5.468	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nn(-c2ccccc2)c(N)c1C#N	8424401	LMCQPYUDYYMFFQ-FOWTUZBSSA-N	445.404	5.669	50	40	IKGB	
Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)CCCCl)ccc3Cl)nc2c1	9668109	BVOYXBGYFUGKED-UHFFFAOYSA-N	436.364	5.597	50	40	IKGB	
CCOC(=O)/C(C#N)=C/C=C(\Sc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1	16682019	AYWYNDMSGBALNV-HVFGMAQXSA-N	437.908	5.536	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1ccc(Br)cc1	35316357	KNQAAWSISUVRAO-LJQANCHMSA-N	443.304	5.211	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccc(I)cc1	408566964	JKHJZLWIGPTOIN-NDENLUEZSA-N	449.295	5.635	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl	408579960	LZVFLTZRMFZBDN-LZYBPNLTSA-N	449.164	7.943	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1C	408600114	UTMHXMFNBZNRFM-CVKSISIWSA-N	448.523	5.072	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1	408742522	AOUQCMNAMIAYED-QJOMJCCJSA-N	426.564	5.794	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408805695	BYLWGUAYIRHVDK-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1	408809908	ONNHEQVWFZWSSI-HAVVHWLPSA-N	448.522	6.282	50	40	IKGB	
CC(C)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	408825666	FJNVLEUNPRNERU-JFLMPSFJSA-N	430.573	5.675	50	40	IKGB	
Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c(C)c1	408966192	NMSOWEGBUODFFA-LGJNPRDNSA-N	444.491	5.438	50	40	IKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409327185	QVXAQSHGKNOPMC-QGZVFWFLSA-N	433.360	5.664	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cnc(Cl)s2)cc1)c1ccc(C(F)(F)F)cc1	1406077	XTGGZSUMFOVIBF-YCPBAFNGSA-N	439.846	5.158	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc[nH]2)c(C)n1-c1cccc(Cl)c1Cl	12599574	DJRMWFOAUFAVCX-MHWRWJLKSA-N	442.302	5.062	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccc(F)cc2)cc1OC	12952700	ASVYRIDTJUCEOD-ZHZULCJRSA-N	425.463	5.760	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(C)c1	20194594	VHFAXNINBXUOPN-MUFRIFMGSA-N	443.978	5.961	50	40	IKGB	
COc1ccc(C(=O)NC(C#N)=C(Sc2ccc(C)cc2)Sc2ccc(C)cc2)cc1	27988119	APSGQKPPNFZRMV-UHFFFAOYSA-N	446.597	6.319	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Sc1nc2ccccc2s1	33458821	VEFQVMLDUOWRAJ-DEDYPNTBSA-N	445.525	6.440	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(O)c3cc(Cl)ccc3n2)ccc1OCc1ccccc1	33471734	AQWBZFIGBJAYPF-WQRHYEAKSA-N	443.890	5.641	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c(OC)c1	35362094	AVZNDXMNLUNPBW-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C	118924087	WTPUAOBDIFVQRT-AXYOXNHISA-N	449.163	8.652	50	40	IKGB	
CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H](Br)[C@H](Br)[C@]12C	118932819	WYNYTPSUJSFJAQ-LYNJUAAJSA-N	446.311	7.192	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1	408581954	KAEVNRJYVPKOIM-YBFXNURJSA-N	438.296	6.240	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1	408845554	KONKCQDFMCZKKO-NTFVMDSBSA-N	444.918	6.158	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1Cl	408886269	JHRKBADQLFPSFG-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(O)cc1	408938653	QTKJHUOCRYGGIX-YVLHZVERSA-N	439.298	5.824	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3Cl)o2)c(Br)c1	409159616	RLGFKOHCUMHFOS-FOKLQQMPSA-N	447.716	5.200	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	409253513	VJYJNQGNDXZXER-PPDIBHTLSA-N	449.284	5.543	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OC)ccc1OCc1ccccc1	409304532	RTOJCOSVOPQNFU-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
CC(C)c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	4087720	OUJPRXMPTDQIII-LQKURTRISA-N	425.532	5.342	50	40	IKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	8934296	FSHZAQGFLSNUJF-CPNJWEJPSA-N	427.529	5.827	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1	9261708	KLCRJBRMAJMRJF-DEDYPNTBSA-N	448.364	6.019	50	40	IKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@H]1c1sccc1C	20348281	CKHLCGZTPANAPD-LJQANCHMSA-N	449.601	5.490	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)ccc1Cl	101026056	MWKJFCGLZUSZJG-SCYROFNCSA-N	428.916	5.053	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)c([N+](=O)[O-])c1	252496872	PTHJLEQGWWWRRG-SFQUDFHCSA-N	431.448	5.532	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	260568361	OGJJHMKNRFVYRW-SPMKTWQFSA-N	429.608	6.604	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)cc1	408726644	SGFXXERIBSKPHS-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)c1	408743066	DJKHQMPEXXNYSS-ZHZULCJRSA-N	436.471	5.452	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)o1	408786182	GJVKADXWOMCNJU-BOPFTXTBSA-N	431.448	5.496	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCc1cccc2ccccc12	408889172	ALQPTDPVGVVKEO-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc2ccccc2c1	408892512	BTVPUZWETDSVGE-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccccc3Cl)oc12	408970781	KDGVSDOVDLVYIL-VULFUBBASA-N	434.879	5.438	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Br)cc1	409192284	CCSRNSBATHNTGH-UNOMPAQXSA-N	439.353	5.302	50	40	IKGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)ccc1OCc1ccccc1	409319971	OGHBQTOBRQYZRX-ROTLSHHCSA-N	445.302	5.051	50	40	IKGB	
COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1	409370148	LXPRQCTZIMNTFZ-FQEVSTJZSA-N	425.916	5.105	50	40	IKGB	
COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl	409370608	BGPMZDYVCQGUSN-HXUWFJFHSA-N	425.916	5.105	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	3084630	GDKDGDQGKORCCQ-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(C)=O	9075670	DMMHKKAXRUQTRE-AUWJEWJLSA-N	445.327	6.115	50	40	IKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccco3)c2-c2ccccc2)cc1	9264877	OURHHHWDKMGTGG-TWKHWXDSSA-N	445.522	6.477	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)cc1Cl	10039435	OPKXRALULRLGTB-BRJLIKDPSA-N	445.302	5.051	50	40	IKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1	20132847	BIEHKBXAVPFCIN-JTQLQIEISA-N	434.197	5.568	50	40	IKGB	
CC(C)c1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	31629076	HNTBJTHPWNTBQD-HJVIKEODSA-N	434.584	5.094	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)c(Cl)c1	59435281	SLOBGXPDCISIMO-NUGSKGIGSA-N	428.102	6.324	50	40	IKGB	
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527768	FWFQERUYTFDXJE-GSVOUGTGSA-N	438.018	5.304	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	110215071	HXVDVAQICGOGLP-RGEXLXHISA-N	441.918	5.903	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	207161125	AWHYQCKUTKZXOE-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)ccc1Br	252494703	OCGJKCQMXQUJLQ-CPNJWEJPSA-N	449.348	6.687	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc2ccccc2c1	408547940	AXPHBMAUAJLHGV-YVNNLAQVSA-N	448.324	7.929	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408773055	PITMSBYPESZCTR-GRSHGNNSSA-N	439.342	6.157	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1	408894067	IPTPWOVAQVVMMD-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C	409250158	PXXAKWIOSFGIMM-HAHDFKILSA-N	431.967	5.712	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(Cl)cc1Cl	409263438	MSCMNHJXEPFROV-FOKLQQMPSA-N	426.731	5.214	50	40	IKGB	
COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1OCc1c(F)cccc1Cl	409311788	IDPOTXKAHROGHP-ZHZULCJRSA-N	443.905	7.284	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)o1	1453722	HDSBUZSHLIPLME-XNTDXEJSSA-N	440.908	5.692	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc2c1CCCC2	2201124	XVBBBQYUXMWDCI-LGMDPLHJSA-N	449.601	6.212	50	40	IKGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2553531	NWFDHYVRPLWYEG-MHWRWJLKSA-N	428.344	5.895	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	9323020	GGANYLKMWRYSNF-PXLXIMEGSA-N	445.478	5.542	50	40	IKGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)O1	9846574	DXAFIBWRASZINF-WHEMQWCBSA-N	428.488	5.010	50	40	IKGB	
CCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1	20132602	XKSUPQBZUYPWEG-ZETCQYMHSA-N	426.561	5.214	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(C(F)(F)F)c1	32194060	SKOXCSNEFVMILC-YSURURNPSA-N	437.761	5.291	50	40	IKGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OC	83314666	DHMLBNVFWIGVCK-QRQIAZFYSA-N	440.499	5.200	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	107709763	OXYHIHXGOWUVSS-DICXZTSXSA-N	431.923	5.673	50	40	IKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1	223169990	ASOUQTNTVSIJHA-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1	408565807	ARLHITBDSVOTFA-OGLMXYFKSA-N	434.967	5.909	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1C	408586069	KVLOXWWHDSCVES-WQRHYEAKSA-N	425.315	6.252	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(Br)c1	408758585	NDQWBEZHPXHFGG-UYRXBGFRSA-N	433.305	5.574	50	40	IKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c2ccccc12	408778268	RWTGCFXIMRYRJC-ULJHMMPZSA-N	432.523	6.581	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C	408791084	SYTJWJHMYFEYDS-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC	408796759	PUSDEDMTEQHXIH-CJLVFECKSA-N	442.515	5.609	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408811461	LKDFQCLSWIJTAB-OQLLNIDSSA-N	431.717	5.521	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1	408815432	WUPXGFFUBQWXKN-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl	408886255	JDGODQMLAZBQNZ-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1	408889794	HDXBRMAAXKBDJD-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(F)c1	408967882	SMPLDELSGCTZAU-FJEPWZHXSA-N	441.437	5.333	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccccc1	409146142	JTWJVEONCCHZBN-OVVQPSECSA-N	448.588	5.605	50	40	IKGB	
Cc1ccccc1C(=O)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1sc1ccccc21	8387630	QYUXEZYGEAPCGH-JOCHJYFZSA-N	438.508	5.647	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(C)o1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	17096763	NRZSZOLBTQKGLU-MXAYSNPKSA-N	430.291	5.301	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1	59201275	SCIUJJYJSBHPRV-IWIPYMOSSA-N	440.543	6.135	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc2ccccc2c1	408570753	YCBQWZRELPZGIV-UUYOSTAYSA-N	449.485	6.507	50	40	IKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1cccc(Cl)c1	408757845	DCRQKGPTPOPQAV-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408800705	OQJZZUKCICBORP-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1ccc(F)cc1	408810963	QGXQIPIDOBKDCR-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1ccccc1Cl	408868906	ODGCSCOISMQFBT-YBFXNURJSA-N	437.326	6.138	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1Cl	408883888	RRZQDPNNWKCVCU-LDADJPATSA-N	441.745	6.783	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccccc2F)c1	408889499	DECQJZXXSBLPJU-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408963726	AMTYHKKVBJGJBY-IVWKQIGUSA-N	443.263	5.409	50	40	IKGB	
CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cccc1OC	409040348	HTXVRZZTGFTXFE-WPWMEQJKSA-N	425.488	5.073	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409069079	UUBFERSGKRJLIA-WPWMEQJKSA-N	430.960	6.337	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C	409178819	ITLJDKSIDVTRON-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Cl)c1	409243349	VUBHMBIGVXBMPI-WKIKZPBSSA-N	445.321	5.713	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1O[C@H](C)CC	409393679	YYOLMAUJYDGCTG-SLVCOGOPSA-N	425.916	5.865	50	40	IKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1	1899948	XKNBIJAEXHBWAI-VBKFSLOCSA-N	444.472	5.364	50	40	IKGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)c1	3663104	QDNQHQDBNQKKQO-QHCPKHFHSA-N	445.632	6.295	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1	12655196	KFGRFDJHIRKMEA-LKWUNZDJSA-N	441.918	5.041	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)S(=O)(=O)c1ccc(Cl)cc1	26533095	NHCYNANXEVQWGX-YBEGLDIGSA-N	438.719	6.245	50	40	IKGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917805	WRXCHPXXFZEAJX-WYXNLZHMSA-N	442.950	5.716	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	59297348	RBKGBLVGMNOPIV-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208237312	VERBZVXKAZMTMZ-QTISIFFUSA-N	442.390	6.570	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1	408599128	OZYWOEIKDGYPFO-LICLKQGHSA-N	439.371	6.934	50	40	IKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl	408729418	ZOURGFFXHGAJGA-WMJRALALSA-N	449.319	5.081	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408735307	QDKFIQDUODPHFJ-NTEUORMPSA-N	431.706	6.761	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(F)cc1	408742195	QAVPFORWDSNYTQ-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccccc1	408743882	HWFZSBVIXCKHPH-JLPGSUDCSA-N	438.527	5.857	50	40	IKGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1	408792856	CTILOEDJXVVZSU-SFQUDFHCSA-N	431.448	5.091	50	40	IKGB	
CC(C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409021736	VTKWAMBFQJIYBQ-YVNNLAQVSA-N	435.705	5.400	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	409228447	AHSLODJTWWWJCC-UQRWVXEISA-N	439.946	6.127	50	40	IKGB	
Cc1cccc(C(=O)N(C)[C@@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)c1	1735433	TXXXMYCTJUGSOF-AREMUKBSSA-N	429.456	5.373	50	40	IKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1c(Cl)cccc1Cl	3088773	UJLLYQNMPLUDKV-DNTJNYDQSA-N	432.170	5.139	50	40	IKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@H](c4cccc5ccccc45)CC(=O)N3C2)c(C)c1	12251045	MTYXPDWIZOKBAL-QHCPKHFHSA-N	439.584	5.985	50	40	IKGB	
CCc1ccc(OCCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2OC)cc1	12285426	DBMJXZQEWYQWLL-ZXVVBBHZSA-N	447.535	5.261	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1	35132282	VIQMRBATFWJOJO-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
O=C(OC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1	100391900	KVVRJYYXGYCCLY-UHFFFAOYSA-N	438.479	5.842	50	40	IKGB	
CC1(C)CC(=O)C/C(=N\NC(=O)c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)C1	103481844	YBYLFHIZGDOEMN-RMLRFSFXSA-N	440.543	5.798	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1	209491388	QWAFZZSHYXMUNH-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408569029	YDVJXIGXZMHOAR-YVLHZVERSA-N	448.295	6.108	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1cccc(F)c1	408803265	NBHPZXKYPQCGIU-DAPWMZFQSA-N	429.539	5.739	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(Br)cc1	408947600	BCYUBOKVDPGJIY-FBHDLOMBSA-N	448.660	5.035	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)c1	409149646	MDGQRHNXPJAJJT-WSDLNYQXSA-N	441.918	5.953	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)c1	409253888	CDWWNYYPXABMRW-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccccc1Cl	409390149	BTOAQWQXPYFRJL-RWPZCVJISA-N	430.939	5.463	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC	1905780	DIRFFKBHKVJWMD-DEDYPNTBSA-N	447.560	5.467	50	40	IKGB	
CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	2766214	DDLZVZYIUXSIRF-YFHGFKKUSA-N	430.548	5.698	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)ccc1OCc1ccccc1	3288812	XUOSJOGWQJKBPD-RCCKNPSSSA-N	435.483	5.368	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1	9140072	IIOLJMZXIBLMGB-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1OC	33782643	YJPDLDXYUHFUDC-GMQKBEEJSA-N	425.916	5.081	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Br)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	118931357	USMVITRIRORNNZ-QGZPSTLZSA-N	437.418	5.460	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408528676	IARJQQLEMSUYQY-YVLHZVERSA-N	446.175	7.228	50	40	IKGB	
O=C(COc1ccccc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408531344	NUFBOTQNWSPWEW-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC	408543835	RRMROCRCAPDRHH-NVNXTCNLSA-N	426.314	5.414	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408728682	RJYATYHLVPCBHJ-MZJWZYIUSA-N	436.342	5.689	50	40	IKGB	
CCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	408732921	UNWIFZVFVAOIBQ-IMRQLAEWSA-N	438.487	5.580	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2)cc1	408810752	JRMAVLASOZWCFD-STZFKDTASA-N	432.907	5.151	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408869912	SUOIQBAQVFWQDD-UNCJXZIDSA-N	446.978	6.349	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc2ccccc12	408888113	WXMBBPGNQFJMMC-CJLVFECKSA-N	449.466	5.873	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2)c1	408987891	ZPEWIGUROLTBGS-XSFVSMFZSA-N	428.488	5.137	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)c3ccccc3n4CC)n2)cc1	1906546	LUQGNSOXYPSVMY-HEHNFIMWSA-N	448.595	7.477	50	40	IKGB	
CC(=O)OC/C(C#N)=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	4104858	CUKPLNYPAQNVRZ-SREFMDIHSA-N	427.585	5.344	50	40	IKGB	biogenic,in-vitro
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C)cc1	4182071	XQKCEBCIQLKLLB-RCCKNPSSSA-N	430.460	5.434	50	40	IKGB	
O=C(COc1cccc2ccccc12)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	8384693	OERYIGLTSVGPBH-RDRPBHBLSA-N	446.510	5.222	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)ccc2Cl)c1C	8781187	IWBPIOYSLGGOTC-ODLFYWEKSA-N	433.895	5.300	50	40	IKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	9289369	ICXGEOHREFEJCW-CVKSISIWSA-N	446.348	5.145	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)[C@H](O)c1ccccc1	9489281	OGPHWTHINOVPQC-PWDRKSFLSA-N	444.918	5.256	50	40	IKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1	102627007	IWJXXCIURXJBCV-JOCHJYFZSA-N	447.560	5.792	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1ccccc1F	408866832	JILCJGMULLSGAP-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408882772	SDUBAESDFICCFJ-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)o1	408989684	VCCFMCYTKOVOSY-ZROIWOOFSA-N	437.839	5.371	50	40	IKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2o1	409045779	HZKXLKZLPOFMBZ-KPKJPENVSA-N	448.114	5.816	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)ccc1Br	409190503	OVYJSECRBSXDOZ-PDGQHHTCSA-N	426.358	5.131	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C	409231276	IYFDWSFLDVWHIA-JCMHNJIXSA-N	447.966	5.412	50	40	IKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	409389654	RBOSKWYCQTYFAX-ZBJSNUHESA-N	448.309	5.456	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1	2669465	AAOVDMXHIMMSLA-PXLXIMEGSA-N	445.588	6.157	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	20764195	HSFJIDZLRJPIRH-LQKURTRISA-N	445.950	5.814	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1	33408251	ODDWPULRIGOMGO-JCMHNJIXSA-N	442.515	5.527	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OC)c1	59296905	LVJKXIZLSCCRNW-HZHRSRAPSA-N	426.516	5.691	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc21	208473079	XQRWABDNAAMXDD-IUXPMGMMSA-N	440.374	6.479	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408548586	JDARRUVHKOKURK-OYKKKHCWSA-N	436.467	6.400	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccc(Cl)cc1Cl	408724352	CJKWLMPBSNJZBN-BHGWPJFGSA-N	433.291	5.246	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1cccc2ccccc12	408727078	XBUKDNGRPFPJMC-LMFRMQBASA-N	442.559	5.704	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	408792643	BPKATWGLARLMIT-GXDHUFHOSA-N	441.270	5.586	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C)c1	408812926	PVCZEKXYKYHEPN-AJNAUUBRSA-N	432.564	5.575	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc(Br)cc1	408960080	JDGHXFOFXCIQRO-MOSHPQCFSA-N	434.289	5.790	50	40	IKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408989397	KOIIGNNROJIGLB-XSFVSMFZSA-N	436.939	5.886	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl	409055395	YFCYLIGLFGNJBM-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	409183701	FQHDASSTGVPGNM-SRZZPIQSSA-N	447.925	5.235	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	679133	PAFCVMYSCYYMQA-HSZRJFAPSA-N	448.950	5.678	50	40	IKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2)c1	3251095	DHUPFODRKBZTDD-JFLMPSFJSA-N	430.504	5.160	50	40	IKGB	
N#C/C(C(=O)c1c[nH]c2ccccc12)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	10272148	VSJVUGIZGCYPQU-RDKICWGTSA-N	449.535	5.477	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1	32752542	VUXHRFYBTUSYAG-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1F	35104420	XCTBPUCHNWMMCW-SXGWCWSVSA-N	432.709	7.429	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)c(C)c1	59201822	DJEXTTLDUUKZDT-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1cc2cc(Br)ccc2o1	83252626	WJLTYSPQMWEXIJ-QFEZKATASA-N	449.304	5.538	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)c(Br)c2)cc1C	408605231	XQOROYOHPJYMDF-VCHYOVAHSA-N	427.342	5.646	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1	408726910	WNQANWWUQZYAQR-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1	408764349	MJVAUUVUMHDQJK-ZMFRSBBQSA-N	444.362	5.492	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(F)c1	408794645	JWVBDIOGMGAVII-LPYMAVHISA-N	444.506	5.966	50	40	IKGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12	408829464	JXRGHNCASIJBGE-SAPNQHFASA-N	427.891	6.043	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C	408925237	QQXBHUXGHUGFGF-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	409250150	WHHRBBHMBQCFMK-WJDWOHSUSA-N	440.377	5.298	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1	409303114	LNPUDEGSNRQWSO-INIZCTEOSA-N	430.982	5.213	50	40	IKGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)c1ccccc1	857771	XNTOGYIDUXHOBY-LHXREVONSA-N	430.335	5.239	50	40	IKGB	
C/C(=N/NC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)C2CCCCC2)c1	4155455	JXQMQQDOLDQBKC-CEUNXORHSA-N	427.548	5.442	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	9057344	IUSFOPWODIIONT-NTEUORMPSA-N	442.258	6.016	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1F	28216534	HSUKNIAQEJOETD-IXBOPPFXSA-N	429.948	5.518	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1	31939427	AODFFBNESRIIJE-YBEGLDIGSA-N	425.315	6.724	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	33720108	YFZQSQYJOSZNTM-JWGURIENSA-N	448.526	5.710	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408539674	JGDUAHUUAXFCBP-HMMYKYKNSA-N	428.370	6.871	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2)c1	408581034	SVTDKUVTHUAGRF-XSFVSMFZSA-N	447.332	5.839	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	408803903	UOXRUFSUZAQJMG-OEAKJJBVSA-N	439.946	6.755	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408817920	WQJGUESCSDCIME-CJLVFECKSA-N	434.495	5.979	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1	408853281	MXFTUJCBEJMYMG-DICXZTSXSA-N	448.906	5.828	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1Cc1ccccc1F	408879314	DDGIGSKDKBCYKE-HZHRSRAPSA-N	428.507	5.923	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(Cl)c1	409000030	MFPQOONYGXBBIM-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cccc(C(F)(F)F)c1	409015785	BFAGOPROZCBUOF-WYMPLXKRSA-N	436.231	5.023	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1	409270000	NJZBPWHOBYEJOG-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cn1	409320255	AAXRZRXZXROCSR-XSFVSMFZSA-N	437.455	6.398	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(O)c1	409391260	IOMRMSQFTOFTDZ-BRJLIKDPSA-N	445.302	5.051	50	40	IKGB	
Cn1c(C(=O)N/N=C(\c2ccccc2)c2ccc(-c3ccccc3)cc2)cc2ccccc21	9434573	VWXAPPHHVSXKRO-SJCQXOIGSA-N	429.523	6.028	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	12585969	MKDKINQHGWIDAL-RQZCQDPDSA-N	441.289	6.257	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	13880301	KNMBZOZTFJPHRQ-OQLLNIDSSA-N	432.303	5.743	50	40	IKGB	
COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)o1	15229304	NMTBRZCSAVVYAT-DICXZTSXSA-N	438.439	5.397	50	40	IKGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1	17156715	MBGUSPYVHDTEEB-RCCKNPSSSA-N	428.561	5.933	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1	20195153	DVTHUSQBZPHVCL-JFLMPSFJSA-N	436.939	5.237	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1C	28216047	HEUXNOPQNCJODJ-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(C(=O)O)cc1	33752430	SPJFHGZFMMYTBY-JCMHNJIXSA-N	439.898	6.835	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1	59137547	KEXXYDICVRAOBL-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
CCCCCCCCCN[P@](=O)(OCc1ccccc1)N(CCCl)CCCl	104199502	WJVRDFXZNLTYLF-MHZLTWQESA-N	437.392	6.431	50	40	IKGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1OC	107583163	UVVNLLCJLKATJX-NTUHNPAUSA-N	446.937	5.167	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1Cl	408734848	KOXIXFDNAWZDQM-YDZHTSKRSA-N	439.946	6.755	50	40	IKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408792752	BYZACYSSYHFCHG-VZUCSPMQSA-N	426.097	5.310	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408804084	VNOYHKKLDDPBKD-CXUHLZMHSA-N	433.335	6.035	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)c1	408996306	HJUWQUVIKNKEPJ-PTNGSMBKSA-N	439.334	6.047	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1	409144674	ZRFRBZWHWUWDQF-YBFXNURJSA-N	448.309	5.990	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OCc1cccc(Cl)c1	2077344	XIDLIXJMNRZAGF-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
Cc1cc(C(=O)N/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)o1	3167260	QBLHUORBQWWRDP-RDRPBHBLSA-N	433.511	6.271	50	40	IKGB	
O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccccc1	9057357	XXWFIOXTKOSWHX-AERZKKPOSA-N	442.582	6.196	50	40	IKGB	
CC[C@H](C)c1ccccc1OCCCOc1ccccc1/C=N/NC(=O)c1ccncc1	9425521	FSXXOGXBESKKJA-GBZINIMXSA-N	431.536	5.207	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	9668281	FDSFMLWJGPMZBW-YZSQISJMSA-N	447.534	6.916	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CSSCC(=O)Nc1cccc(Cl)c1C	26891966	YNEVVBMQUCPPOL-UHFFFAOYSA-N	429.394	5.569	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(F)cc1	40007473	YJCGBMBYYXRQQC-XQNSMLJCSA-N	444.506	5.069	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1	59920931	KJZIDEMOGAPFHJ-UVHMKAGCSA-N	432.829	5.702	50	40	IKGB	
C=C(/C(C#N)=C/c1cccs1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	105867216	RSSYXBKDUFFRCP-GZTJUZNOSA-N	426.372	6.765	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1	140135532	IXEMTDCOGAJEMM-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	207151778	KQZUDBJSPWNFMF-HKWRFOASSA-N	432.907	5.863	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)ccc1Cl	408585915	KDMBTHSNHMBGGG-DHDCSXOGSA-N	446.717	7.148	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(N2CCCC2)cc1	408677765	USAOTXYUJRSKPA-TWKHWXDSSA-N	449.554	5.783	50	40	IKGB	
N#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408798886	XLWCLJCMYMSSQF-VZUCSPMQSA-N	441.101	5.748	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)c(C)c2)cc1	408801987	XNLKJNRXYCFEIX-HYARGMPZSA-N	442.515	5.445	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(O)c(Cl)c2)cc1	408816508	WHRYWASEVZWKSW-YUMHPJSZSA-N	429.907	5.576	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1	408887263	PBFHARFJAOGITL-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)[C@@H]2CCCC=C12	1003005	HVZABESBNBCAHI-VGSWGCGISA-N	448.885	5.245	50	40	IKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccsc1	1436377	ICHDACKLAHDOHO-SFHVURJKSA-N	449.885	5.725	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1	2768379	JHNSRVIDXGHMIG-RBZFPXEDSA-N	445.733	5.855	50	40	IKGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1	12492045	OEXMPVCRFUYKGV-CPNJWEJPSA-N	425.469	6.575	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Cl	35044595	QTHITZVKSDUOPP-AUWJEWJLSA-N	430.291	5.184	50	40	IKGB	
Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(Br)cc4)cc3C2)cc1	83318412	WKBZYLYPMDELNM-MXAYSNPKSA-N	434.337	5.042	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2ccccc2o1	105065813	NUWQTXBIVFDGDF-ZMFRSBBQSA-N	439.298	6.083	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)cc1	108986212	DTTUDGCFMXSSJB-MTJSOVHGSA-N	444.443	5.335	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)cc1	208524857	JKRCNVSHPDQRGZ-STZFKDTASA-N	429.564	5.961	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1	408539630	IXMKUOGUJJNHOG-HMMYKYKNSA-N	446.816	7.906	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc2ccccc2c1	408549782	YXOCWLNHNFZCGE-JJFYIABZSA-N	448.324	7.929	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC	408581060	TYJSCTFSTIYFHV-NTUHNPAUSA-N	441.152	6.617	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	408735251	OZFUCOUAHIRPRI-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1	408762172	JOPZSSZTOMLTND-VBKFSLOCSA-N	435.277	5.457	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(F)cc2)c1	408809477	HELYQUMMYPIAOY-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408813423	XQUVRJBQDZZQSD-RCCKNPSSSA-N	444.918	6.029	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	409380949	QDARPIXWXYPCCQ-ZDLGFXPLSA-N	427.335	5.497	50	40	IKGB	
CSc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)cc1	707160	KGFNSKNEGZQLKB-QFIPXVFZSA-N	435.980	5.675	50	40	IKGB	
Cc1ccc(S(=O)(=O)[C@@H](c2ccccc2)[C@H](Br)C(=O)c2ccccc2)cc1	1453029	MOBBZRDDCIJOCD-IRLDBZIGSA-N	443.362	5.156	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C)c1C	2323434	RTZJCVNWYTVDAW-GDNBJRDFSA-N	443.981	6.295	50	40	IKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccccc2)cc1	8386231	IGEFIIRCUACHSV-VFCFBJKWSA-N	430.548	5.989	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)cc1	9311075	IGQDDMDVZNLRCF-OGLMXYFKSA-N	439.515	5.188	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1	9849535	KCOJIKKMKDCYOJ-SGWCAAJKSA-N	442.563	5.128	50	40	IKGB	
CC(C)OC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	100643110	MDYNAISQMAPIEG-HXUWFJFHSA-N	444.984	5.090	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	408539015	DNMGGKJUSLFXDF-MYYYXRDXSA-N	437.367	6.115	50	40	IKGB	
Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c(C#N)c1C	408743567	BDPAJERXLIHZQD-ZDLGFXPLSA-N	434.952	5.843	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408743706	XMSCVQCFDGPUDZ-OVCLIPMQSA-N	443.850	5.517	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1	408818006	XPEPRUDEWVDPGN-WQRHYEAKSA-N	436.870	5.612	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408852455	GABBSPBPNTWWKO-LGJNPRDNSA-N	442.346	6.345	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1	408876590	QHZWEDLPSQEZLO-CIAFOILYSA-N	435.354	6.747	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1	409042701	XMYBAXORHAKVHL-WYMPLXKRSA-N	433.291	5.328	50	40	IKGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	409088885	KYEYUNSUGRTNDZ-YBEGLDIGSA-N	432.348	5.268	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)NCCCc1ccccc1	409221101	KXRQEDQUCYTEAJ-OOAXWGSJSA-N	446.550	6.075	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	409272483	QOOLMNYFHBZMJZ-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(Br)cc3)c3ccccc32)cc1	409363600	WWIXUNITJZRTMT-VULFUBBASA-N	446.348	5.524	50	40	IKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1	1905900	UXZVXYQGXDDILC-WOJGMQOQSA-N	435.980	6.230	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1	2089750	LQPGNDGUHHWXOK-MTDXEUNCSA-N	439.515	5.463	50	40	IKGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3cccc(Cl)c3Cl)cc2)c1	3083502	YSNUNSOTDKITOW-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CC(C)(C)[C@@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4)o3)sc2C1	3207602	QUFHPRMHZXPORP-VJSYINPZSA-N	431.561	6.100	50	40	IKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(Cl)cc3)ccc21	6135659	FAUUAUHMBLICES-LQKURTRISA-N	446.938	5.602	50	40	IKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccccc3F)ccc21	6135662	JMIKWVJCFNUYDC-LQKURTRISA-N	430.483	5.088	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1	13616743	LLOJVSGEKFEEED-CPNJWEJPSA-N	429.907	6.258	50	40	IKGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	13943418	HZQOZOWIBXPISC-RVDMUPIBSA-N	427.376	5.236	50	40	IKGB	
O=C(O)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@@H]5C[C@H](CC(C(=O)O)(C5)C1)C4)(C3)C2	102966904	LPFOQEZPYZNVNW-AMTQIIRNSA-N	440.904	5.351	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1cccc(C)c1	108201323	OOMOBWYQNFSBED-JAIQZWGSSA-N	443.934	6.485	50	40	IKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cccc(F)c2)o1	408569786	PXWUFVGIICSGFI-ZMOGYAJESA-N	442.537	5.093	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccccc1	408780814	LFXWLOQJYYGCDF-JWGURIENSA-N	441.531	5.276	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2cccc(C)c2)c1	408807973	PLFSVSKEILNTKK-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408809631	IJIRADCUVVDZNL-FOKLQQMPSA-N	425.312	5.440	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408878948	BVOAYRPNAGDSAI-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1Cl	409054101	RGTOMDNIDILSFM-OPEKNORGSA-N	434.754	6.127	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	409323941	QGBDBEUFGZNLHY-INIZCTEOSA-N	446.359	5.012	50	40	IKGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12	409342448	GHHGJXYRJRYTRK-VULFUBBASA-N	432.321	5.318	50	40	IKGB	
N#CC1=C(N)Oc2cc(/N=C/c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccccc1Cl	16449084	OUMKBIOHDDUFAZ-IQFHQVDXSA-N	430.851	5.217	50	40	IKGB	
C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=C(C#N)C(=O)N1	16577594	QWJUXWLHKLEZPO-HKBQPEDESA-N	440.546	6.733	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O	20794189	JMUVYCWGLJPEKT-BJMVGYQFSA-N	442.096	5.016	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	59117379	LWPNYIJHDRBDNH-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc21	208247335	PWIVJLDHXCCICV-TXMABLNQSA-N	433.983	5.908	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)cc1	208316775	IXICHHLCAZKINV-BWCLHNGZSA-N	431.580	6.052	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1	209605317	GCEJEYDDDJLUKR-WKIKZPBSSA-N	436.342	6.069	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1ccccc1Cl)[C@@H](C)CC(C)(C)N2C(C)C	223596326	ZBMALQUZBPTOJV-RDEZCIGGSA-N	442.003	5.678	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)ccc1Cl	408544194	SYCKDJWIYAQQLI-GZTJUZNOSA-N	445.906	6.334	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(F)cc1	408780039	QRVGTXHIIXETAP-ZHZULCJRSA-N	445.494	5.025	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)c(C)c1	408792777	CNECWCTXVXEKTP-WSDLNYQXSA-N	441.918	5.953	50	40	IKGB	
Cc1c(Cl)cccc1-c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1	408977601	XMBOEHRNMYQXJB-FOWTUZBSSA-N	425.879	5.612	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC	409370904	VHHBBKOVALPRAV-VQZCYCSMSA-N	434.927	5.534	50	40	IKGB	
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccco1)c1ccco1	1102836	DMOYIGKZWXYIBE-UHFFFAOYSA-N	436.514	6.177	50	40	IKGB	
O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1ccc(Cl)c(Cl)c1	2751480	OILJONJJKAPFNM-AERZKKPOSA-N	426.514	5.483	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccc(F)cc1	3232336	DOKNAVUASMGPPT-HMMYKYKNSA-N	436.442	5.744	50	40	IKGB	
C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(Br)cc1	9374481	AFBPZNZRNHTVGG-XYGWBWBKSA-N	434.337	5.488	50	40	IKGB	
CN(/N=c1\cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)cn1)C(=O)c1ccccc1	32220675	GEAZUKRUBBWRFF-WEMUOSSPSA-N	449.341	5.434	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc(Cl)cc1	408877569	VUOYTUHQRBPPDI-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(F)c2)cc1	408879358	FVAQFPKFJNUCPN-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
ClCCN(CCCl)c1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1	1705582	QJPIJGOFNAWHSF-UHFFFAOYSA-N	444.405	8.097	50	40	IKGB	
CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)o2)cc1	2754023	MOTKTFMSAKZBJD-DHRITJCHSA-N	431.319	5.882	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1c2ccccc2cc2ccccc12	3145055	PRODWRSVZJCYPH-LQKURTRISA-N	443.934	5.824	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)NN=C3CCC(C(C)(C)C)CC3)c3ccccc3n2)cc1C	6215852	WXHLFUSQGVFIRI-UHFFFAOYSA-N	427.592	6.841	50	40	IKGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccccc1	9428095	PKXYATRZWIJTAA-XHPQRKPJSA-N	447.608	5.391	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C)c1	20194563	NJGLKVUHMXBOCX-RWPZCVJISA-N	429.951	5.653	50	40	IKGB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	33691723	UIXQUZICCOPIBO-XFRWHIHTSA-N	431.448	5.435	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC	59201271	BOBURDNODRUVSV-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1Cl	59534318	NAPGJHMPONDSPS-WOJGMQOQSA-N	438.936	5.212	50	40	IKGB	
O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2o1	102618753	DMFOZCSGTSMPOW-UHFFFAOYSA-O	436.471	5.114	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1[N+](=O)[O-]	113833465	ATIZRTZPBOMKLD-LDADJPATSA-N	426.432	5.123	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	208250170	VVYSFKWMYMAQDF-BTQGWNRHSA-N	438.786	6.133	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Br)cc1	408740623	CPKBRCZLBACAFM-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1cccc(F)c1	408803267	NBHPZXKYPQCGIU-UGAAVYLDSA-N	429.539	5.739	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)cc1	408816550	UBNNJRHDNZRZGP-FJFJUCHQSA-N	438.955	5.529	50	40	IKGB	
CC(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(C(C)C)c1O	408857717	WCSWOEXOLQQNRP-LZYBPNLTSA-N	427.342	5.947	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)c(C)c1	408981911	DPMRRSWBDOTQGP-ATVHPVEESA-N	434.879	5.549	50	40	IKGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1	2078221	JFDULZAYMLYQHW-JVWAILMASA-N	436.427	5.176	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)o1)c1nc2ccccc2[nH]1	6446874	KXLJYBBNEXEKQV-LGMDPLHJSA-N	441.446	5.662	50	40	IKGB	
O=C(COc1cccc(Oc2ccccc2)c1)NNc1c2ccccc2nc2ccccc12	9274059	NNPIPWVQDJJJEM-UHFFFAOYSA-N	435.483	5.702	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250235	WQIKOZFJFXQFSL-RUZDIDTESA-N	444.987	6.712	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(Br)c1	13839896	BXLOJZCHRZOJLH-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
N#C/C(=C\c1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1sccc1C#N	19637832	UNBOWVFHITWAJL-RIYZIHGNSA-N	443.406	5.356	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1	32124947	MKAKHXCXVJFLPS-VBKFSLOCSA-N	441.940	5.755	50	40	IKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)CSc3nc4ccccc4s3)c2)cc1	59410826	IWVLMUYCUCLZRX-AFUMVMLFSA-N	447.585	5.426	50	40	IKGB	
N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl	104138185	OZQJEEFRAJASOL-HXUWFJFHSA-N	441.383	7.196	50	40	IKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccccc1Cl	408691709	MYYXWBBIWZPVQW-UNOMPAQXSA-N	429.907	5.884	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)c1	408743946	IMXPTUOVHSHCDF-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)NCc1ccccc1	408746724	GFIULISGWKFNFE-ONUIUJJFSA-N	441.534	6.066	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1	408797434	RVGSOVXKMDKCON-HZHRSRAPSA-N	438.914	6.618	50	40	IKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408814273	OTRMDRVJQQVPTK-GYZOOYGHSA-N	440.374	6.127	50	40	IKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	408843608	GNAGRYDTKWANPF-ZROIWOOFSA-N	441.270	5.806	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NC[C@H]1CCCO1	409195431	IVBWAEMTBQTEGI-WLGHQHAYSA-N	435.527	5.045	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1	409233435	KKWPDCIUQNSRMX-VYYCAZPPSA-N	440.902	5.068	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl	409249822	OZTRMZDUGPXHAQ-UVTDQMKNSA-N	426.259	5.028	50	40	IKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)s3)c3ccccc3n2)cc1	2109799	YBHKYXDMWRATBT-CVKSISIWSA-N	433.964	6.333	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1	2279037	RAGLJGGRZCDWPH-RWPZCVJISA-N	441.918	6.162	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1	9113307	YEYVFDYGLAXDPL-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1ccccc1O	9288169	PJUJDOIFBXKMSO-OBMCKAMCSA-N	439.269	5.040	50	40	IKGB	
C/C(=N\NC(=O)[C@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	14922447	IEUJZMYRKLAMRN-SDGJFRJFSA-N	427.504	5.058	50	40	IKGB	
CCN(CC)c1ccc2c3c(cccc13)C(=O)N(CCCCCCBr)C2=O	72334096	PEOQIJGSSBJQSR-UHFFFAOYSA-N	431.374	5.237	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(C)c1	408549619	VTWYTBRXHYKECP-MXAYSNPKSA-N	439.942	7.453	50	40	IKGB	
O=C(N/N=C\c1ccccc1F)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408728578	PAFDJEULDGPHME-NVJOKUIPSA-N	427.401	5.129	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)c1	408803305	NMPCOIMCHLKUBU-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2cc(C)cc(C)c2)c1	408891830	VXWKWCBILVPZFK-FYJGNVAPSA-N	428.488	5.142	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408960946	KAKMLXFXGYMZBN-AUEPDCJTSA-N	444.230	5.672	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1	408983650	GXMSAMOYUUCTAY-PDGQHHTCSA-N	434.879	5.631	50	40	IKGB	
O=C(N/N=C/c1ccsc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408991317	NKFYGGCPQFKDSM-VUTHCHCSSA-N	447.563	6.637	50	40	IKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	409070208	YECUAVWLVZAWOA-LTGZKZEYSA-N	432.520	5.323	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)cc1	409149271	ACDKZMBEDYXQHC-WOJGMQOQSA-N	445.504	5.007	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)c1ccc(Cl)cc1	3663726	NPHMTSBGQLPRGL-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)c1oc2ccccc2c1C	9128541	MVKMNIOOOFWNFR-BHGWPJFGSA-N	427.291	5.306	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	12524979	PVSRJDOCCBFRGY-CPNJWEJPSA-N	438.358	6.509	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCc1ccccc1Cl	12586153	FCQGLPSJBAYQMB-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	15945162	UTEFIJQKKBNIDY-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	28215840	ARRDGZNFDWTEFO-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	32791062	CICFJYNEKJTEGQ-VGOFMYFVSA-N	449.732	5.364	50	40	IKGB	
O=C(N/N=C\c1ccccc1Sc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1	35087476	OIRJENFDPCEZGB-UCQKPKSFSA-N	433.514	5.725	50	40	IKGB	
Cc1cc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)c2cc3c(cc2n1)OCO3	104208359	HDVHOUQMIVSZSK-MXAYSNPKSA-N	445.350	5.002	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2[C@@H](C)CC1(C)C	223568509	XWKYJKRNSANFQK-WBBAFLOHSA-N	431.502	5.970	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Br)cc1	408579361	GFMCPTZMWKCCNP-VCHYOVAHSA-N	442.715	6.885	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	408692737	UDDPRVRVZGAJMP-KBKYJPHKSA-N	449.769	5.617	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(F)cc3)cc2-c2cccc3ccccc23)c1	408725382	OJYBPPNJXDUWFV-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)c1	408796269	XQGDVJLZDACFBQ-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1	409266916	SDPZCRDIZPFFEZ-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1cccc2ccccc12	409368373	SDSWGSIPKPGTTR-XQNSMLJCSA-N	426.516	5.347	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl	853117	KOMRECRBGDYFIC-QGOAFFKASA-N	433.851	5.373	50	40	IKGB	
Cc1c(C)c(C)c(C(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c(C)c1C	3132539	YORUIFVMXANPSV-MOPGFXCFSA-N	438.203	6.311	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1	9720860	DOVXTJBUZGWSBD-MTDXEUNCSA-N	434.967	6.371	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1OC	13739596	HQDFCYPAQZZGRE-OQLLNIDSSA-N	427.323	5.654	50	40	IKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1	26688478	IXJCGTSSZWYYQC-BUVRLJJBSA-N	443.503	5.325	50	40	IKGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	26842353	UCMSOIPDCNHJIN-NBVRZTHBSA-N	433.471	5.044	50	40	IKGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl	34716507	PZIMFEWDTDOMCH-FSJBWODESA-N	438.896	5.326	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1	34735669	PLWGJWJJTXXBPL-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl	96203388	UEPNBRLEUZHFCG-YBEGLDIGSA-N	444.749	6.600	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1	408775258	ZVVMGJJFCHNELK-NDENLUEZSA-N	446.890	5.471	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1	408793407	FECJJLKMEQSCKE-HMMYKYKNSA-N	432.907	5.863	50	40	IKGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	408824839	AHJMAHXGEFBXEU-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)c1	408868238	OPTQJRMUSDLKAQ-UDWIEESQSA-N	449.323	6.033	50	40	IKGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1	409105345	MXRSCXKSMVQUIF-MYYYXRDXSA-N	439.968	5.086	50	40	IKGB	
Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C/c4ccc(C(C)C)cc4)cc3)sc2c1	1772755	YITPOYNDIVMLGK-PXLXIMEGSA-N	437.568	6.941	50	40	IKGB	
O=C(CSc1ccc2ccccc2c1)NNC(=O)c1sc2ccccc2c1Cl	2629488	XLHJJSDBSFAWLE-UHFFFAOYSA-N	426.950	5.261	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057448	LQHVJFQTXRFNHI-CJLVFECKSA-N	449.466	5.873	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)c1	9262735	NFQSUDCVUXSQAJ-RVDMUPIBSA-N	437.293	5.572	50	40	IKGB	
C/C(=N\NC(=O)c1ccc2ccccc2c1O)c1ccc2c(c1)Nc1ccccc1S2	17094491	IZJORDJCKCFWEA-JFLMPSFJSA-N	425.513	5.908	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc([N+](=O)[O-])c1O	36166273	TUMHASNNJMROQU-NYYWCZLTSA-N	448.287	5.803	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1F	59117202	WEISWIXRCUSBMG-YVLHZVERSA-N	441.289	6.257	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408598539	CRHIXCIXKFDTAM-WGOQTCKBSA-N	431.492	5.235	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1	408744960	ITXVQXQKHJNYOW-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc3ccccc23)cc(C(C)(C)C)c1O	408878541	BSVKMCBJSFTHFU-RDRPBHBLSA-N	430.592	6.223	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl	408990650	XWJITYVNBDBOSB-JYRVWZFOSA-N	442.258	6.016	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c(C)c1	409063473	LNGKYBLCTRKRGY-UDWIEESQSA-N	448.364	6.019	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OCC	409371940	JYUZYAUGKFYEMN-MFOYZWKCSA-N	444.272	5.024	50	40	IKGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	639225	CUVBREBJVAQBNZ-OAHLLOKOSA-N	446.359	5.012	50	40	IKGB	
CCCCCCCCOc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1	1803648	HIPIVHZRWYDTPE-HSZRJFAPSA-N	435.593	5.726	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccccc1Cl	9245422	UGBKMEIYEUTXHQ-NRFANRHFSA-N	448.910	5.189	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	20764163	DWSMQTRKHCCKFG-JFLMPSFJSA-N	431.923	5.506	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	28215944	NWHUKODDXYFBJZ-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1C	59248587	YKMQJAGOZBNTPG-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
CC1=C(C#N)[C@H](c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)OCCC#N)=C(C)N1	68606467	QWGPISHFDHTRIM-SANMLTNESA-N	434.499	5.117	50	40	IKGB	biogenic
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccccc1	408549759	YLCTWQXFTZODEP-QRQIAZFYSA-N	431.535	7.220	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc(C)c1	408745020	OTYOGYOQZUYZNZ-MTJSOVHGSA-N	446.934	6.090	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1	408926283	WTLOFTHJSBACQZ-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C	408963678	ADPSJGBUFRHNIW-JLPGSUDCSA-N	436.559	5.404	50	40	IKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409102482	AGRPIZAZRIMQPL-JFLMPSFJSA-N	447.947	5.569	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc(I)cc1	409370643	CPWTWYVGTUGMLY-ZHZULCJRSA-N	437.280	5.934	50	40	IKGB	
N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	2197832	IBTWECHSINFSSB-XFXZXTDPSA-N	440.277	7.112	50	40	IKGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12	3231646	FTBHVCRJTKUISB-IPPBACCNSA-N	437.396	5.824	50	40	IKGB	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(OC4CCCC4)c2)C(C#N)=C(N)O3)c(C)c1	8382684	RWRRYTZFFIPLLO-QFIPXVFZSA-N	426.520	5.233	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3ccccc3n2)cc1	8722094	CXEVAUYCIWFIBO-OGLMXYFKSA-N	431.499	5.160	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C/C(=N/NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@]12C	13409300	ZREFGLLKWFJLDH-QFQFWEFVSA-N	445.648	5.259	50	40	IKGB	
O=C(N/N=C(\c1ccccc1)c1ccncc1)c1cc2ccccc2n1Cc1ccccc1	18191494	GOTMISKCNNRQKM-KDJFERLWSA-N	430.511	5.267	50	40	IKGB	
CC(C)[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1	20133453	HVOWEDJMKCVQQM-KRWDZBQOSA-N	437.334	5.372	50	40	IKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	28215880	VIUYVKZMUJFNJJ-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)c1	59335477	HDWAQUHREGTZIB-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)CC(C)(C)N2C(C)C	223617774	RPIBJJAELVISFL-UDRPCTDCSA-N	445.529	6.278	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1	408584052	ZSXVOMWGRIERNF-DEDYPNTBSA-N	432.907	5.739	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1	408744771	MQVVKBVUIUBEQO-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	408783841	RPLJWVXHHYSJJW-RVDMUPIBSA-N	441.314	6.586	50	40	IKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408790104	NQKSOERPMDCNJI-WUXMJOGZSA-N	425.699	5.600	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1cc(C)cc(C)c1	408865998	FSNMZOOYZHHVCE-WSDLNYQXSA-N	430.935	6.102	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1	408872709	OQHMDFWWBQYIHB-WSDLNYQXSA-N	449.381	7.055	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	408875374	DXZIIGBNZIYXSL-MDWZMJQESA-N	439.231	5.412	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408883768	WLIQYMIDIVPCKI-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1	408900817	XPLZYPAQKOEJGQ-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
COc1cccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1OC	408973739	URHVSHCASFWRBB-UYOCIXKTSA-N	443.739	5.643	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1nc2ccccc2o1	409071948	SYLRKWGFJZKGDA-FOWTUZBSSA-N	436.876	5.313	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1nc2ccccc2[nH]1	409074618	UFPXPYKLVAVBSB-WOJGMQOQSA-N	429.863	5.558	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)c(Br)c1	409236066	RMNNAYIMJSBXIQ-AFUMVMLFSA-N	433.305	5.935	50	40	IKGB	
CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1058587	CFNYZXCZVARNKP-XMMPIXPASA-N	427.548	5.198	50	40	IKGB	
Cc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccccc3)n2)cc1	1415233	IMIBLBARRPGJMM-UHFFFAOYSA-N	443.532	5.894	50	40	IKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1	12578428	FLCRYINKMKVRDK-PTGBLXJZSA-N	432.527	5.807	50	40	IKGB	
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	13324312	OMMBRKKVVBNUJJ-AYHYUOJHSA-N	431.923	5.236	50	40	IKGB	
O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(CSc2ccccc2)cc1	59473626	FKIPEAHOGYDNTL-AFUMVMLFSA-N	434.586	5.237	50	40	IKGB	
CC(C)CCN(CCC(C)C)CC(=O)/C(C#N)=C1/NC(c2ccc(Cl)cc2)=CS1	102949269	SVLCEOPTAUQJKJ-ATJXCDBQSA-N	432.033	5.673	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1	108180829	XNPAJUZIYPETSJ-ZRGSRPPYSA-N	444.318	5.130	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	408708575	QODWRHHINNEFQT-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1Cl	408734744	IZXLNTTVFBLKJW-VXLYETTFSA-N	438.358	6.563	50	40	IKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccn1	408740425	KKTUFWJYMKGTNV-NJZRLIGZSA-N	442.522	5.970	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1	408788181	BQWIAQRIRKBWPB-XSFVSMFZSA-N	446.890	5.251	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1	408795601	CLJZEAWSQGDDIW-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2)c2ccccc12	408800882	RRDWDDMKIDYHJV-RCCKNPSSSA-N	439.946	6.506	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccccc1C#N	408812931	CCNJCXYQXRJIES-MWLSYYOVSA-N	432.483	5.380	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1	408859795	ZPULKHFSGBIUCT-NTFVMDSBSA-N	448.353	6.523	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cc(C)cc(C)c1	408888966	DBOJJYQPVGBLRK-HYARGMPZSA-N	442.515	5.532	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1	409047414	ONXHZOJJFMLIFA-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409145817	RAJOPXXIZUJGPD-JOCHJYFZSA-N	439.298	5.496	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)cc1C	409269718	MBEICOOATUXYOZ-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409373669	XRWUDGUDLLYCMW-NHDPSOOVSA-N	449.337	6.907	50	40	IKGB	
C/C=C1\[C@@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(F)c(Cl)c1	12362739	KKAUQBFXQFJVLX-BOYFAHNTSA-N	427.751	5.644	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccc(Cl)cc1	12428655	KAUAYUWDZUSYOH-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	33593796	XDRFQGYFGZTBFF-LGMDPLHJSA-N	432.867	5.562	50	40	IKGB	
COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(C)cc3C)c21	36618857	DNHVHSQULPNNNB-QGZVFWFLSA-N	441.318	5.227	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C	59336311	NSLSYBQYZQCJCN-UYRXBGFRSA-N	438.358	6.509	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1cccc(C)c1	59534414	ZYORGNKEOXADDA-FYJGNVAPSA-N	432.545	5.258	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1	223169894	KLLXBENAOKJUKJ-YVLHZVERSA-N	443.856	6.312	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408728893	WFSLOGPMGHAZTP-JFLMPSFJSA-N	431.923	5.044	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c1	408745161	KMPSHNZEONHBFT-MOSHPQCFSA-N	443.459	5.118	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1F	408787716	FIFCOBIUHIWXHD-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1	408803535	QEKVSENCPAJGSU-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1ccccc1Cl	408870082	UUJBAZKENKKWEP-YBFXNURJSA-N	447.878	5.393	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Cc2ccccc2Cl)c1	408883272	OYFGARRBMJGHGC-XDHOZWIPSA-N	437.326	6.138	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408883873	SACDLRQZWZEEIL-HGBSZDESSA-N	441.369	5.305	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1OCC	409321403	GFQJKGLKESIFQZ-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1	409394195	XABUPOHPRWSMHU-OCKHKDLRSA-N	437.854	5.829	50	40	IKGB	
CC(C)(C)c1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(C(C)(C)C)c1O	987175	QAJPAXDTYTVQTC-GOSISDBHSA-N	448.592	5.657	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1	2637585	UHHNDVWBTKIUIQ-VUTHCHCSSA-N	436.511	5.705	50	40	IKGB	
CC[C@H](C(=O)N/N=C(/C)c1cccc(NC(=O)/C=C/c2ccccc2)c1)c1ccccc1	5953943	HHPJAGBCUPQYMV-YCXDQMOJSA-N	425.532	5.373	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2cccs2)cs1	16672820	KYTMCSODGQZCDQ-GXDHUFHOSA-N	439.359	6.958	50	40	IKGB	
O=C(Nc1ccc(Br)cc1)NP(=O)(Nc1ccccc1)Nc1ccccc1	100483172	QQYCTLUTJUOKRH-UHFFFAOYSA-N	445.257	5.903	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223557249	BTAASFCUXKRCSQ-HDOAHBKWSA-N	435.999	6.695	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cccc2ccccc12	408528003	HADLWUUOIOSVOU-JCMHNJIXSA-N	427.345	7.074	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc2ccccc2c1	408746916	HRMISMUPVNWDAY-YSMPRRRNSA-N	448.522	5.651	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl	408774174	BRCYAJAFFGHMRC-YVLHZVERSA-N	426.347	5.736	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1	408864831	ABJYWAAAMVMKDP-HAVVHWLPSA-N	436.942	6.938	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccccc2Cl)c1	408887846	UIINOFVTMCZFNM-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(C)cc3)cc2c1	409188134	AYUIRHYUQSTNBQ-YUMHPJSZSA-N	428.488	5.483	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)NC1CCCC1	409190901	AYHPRRXPGVUSCF-YVLHZVERSA-N	443.316	5.133	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NCCCc1ccccc1	409243486	WSTVOEMSJOBWDN-CYVLTUHYSA-N	435.321	5.365	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3cccc4ccccc34)c3ccccc32)cc1	409390840	FXPAELVSQUOWNI-KBVAKVRCSA-N	446.554	5.713	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc(F)c1	409393167	PJEGZZOHLBPKAL-YBEGLDIGSA-N	428.341	6.609	50	40	IKGB	
COc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2c1	1022062	OAFHWMOCHFSGDU-GXDHUFHOSA-N	435.892	5.764	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(c1ccccc1)c1ccccc1	10059743	QPMWURLNXJESEM-YZSQISJMSA-N	425.444	5.137	50	40	IKGB	
CCOc1ccc(/C(C)=N\NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1	14922794	CARHVDIOKANJDV-UHUREDQFSA-N	426.560	5.549	50	40	IKGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527980	ZJRXNPPPEHEXIG-ZETCQYMHSA-N	444.119	6.229	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21	208473162	BDESUUMNBMBKCS-QDTIIGTASA-N	449.904	5.683	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	408541221	YLQLTSYQRXLFRP-JLPGSUDCSA-N	431.920	5.751	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1	408725103	HCAJOELDHJQGRN-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1Cl	408739628	DKUZNLAAXUEVHT-JFLMPSFJSA-N	431.923	5.673	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)c1C	408875785	HRNBBLGHVNIHCO-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	409195229	GNNMSZBGAZQUTC-NPSPNJCMSA-N	425.319	5.158	50	40	IKGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	409323324	NNFONMIKUBMGNP-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1	647867	CMZPVZIOKSRSBC-QHCPKHFHSA-N	434.923	5.351	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1	2268497	GFBFYQCKTQXOLV-HYARGMPZSA-N	425.919	6.446	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1N[C@@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1	3083166	CFQPTFRAUHXYNG-XMMPIXPASA-N	432.416	5.621	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(F)cc1	3255724	NQGIPTHEHVXUOI-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cc(C)cc23)cc1	6078470	YZXNYEMJWKRIRV-CVKSISIWSA-N	434.609	5.249	50	40	IKGB	
Cc1ccc(C(=O)NN(C(=O)Nc2ccccc2)c2nc(-c3cccc(O)c3)cs2)cc1	8754334	OIZAOYVWSJLRGW-UHFFFAOYSA-N	444.516	5.208	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(OC)c1OCc1ccccc1F	8934949	CBESOSXJENXGRL-YBFXNURJSA-N	443.478	5.671	50	40	IKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1	9353389	ISNQCJVMBKTEDL-OQKWZONESA-N	431.605	7.164	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccccc2)cs1	16676011	DDHUELMHLUFOLR-SFQUDFHCSA-N	433.330	6.897	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc1	17167075	JKFSPYNMBYVWDF-DICXZTSXSA-N	438.439	5.397	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1	19898524	UQKCTYIBJXRVJD-CYVLTUHYSA-N	434.524	6.222	50	40	IKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2cccc(Br)c2)nc1-c1ccc(C)cc1	27020791	HSSCEYZMTOHDBX-LICLKQGHSA-N	438.350	5.904	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1C	33492202	UZALFRITKSHHCB-ZHZULCJRSA-N	443.478	5.006	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1	103661026	GDZUIUZLJCHXCN-MFOYZWKCSA-N	430.920	6.093	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1	207058008	VADDDLSOYYZJGB-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	408540771	VSVOGTPDWVTQTE-ULJHMMPZSA-N	427.501	5.107	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)cc2)cc1	408793301	OHODKIOXHDCHNS-XQNSMLJCSA-N	440.499	5.296	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1O	408802020	XZMWWFPXZZYKMC-NTUHNPAUSA-N	435.705	5.061	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl	408846915	KPGXOIBUEVDFIO-QRQIAZFYSA-N	443.934	5.879	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408854077	XBTUMYDIGYCXGS-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC	408889292	BLUOTXNIOSBZPX-RIYZIHGNSA-N	449.732	5.364	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3cc(C)cc(C)c3)c2C)c1	408968550	XCMIPOBCIYHVKW-YSMPRRRNSA-N	432.524	5.043	50	40	IKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl	409019311	IPKUQFPZNYKLOT-UYRXBGFRSA-N	428.923	5.186	50	40	IKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1	409176902	AKADXTMZPINLIG-UHFFFAOYSA-N	428.238	5.156	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccccc3F)cc2c1	409188409	YZRPEHBYTSXLLJ-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCCc1ccccc1	409243275	RMLMGIOINONTRB-QJOMJCCJSA-N	430.935	5.575	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	409361943	DXLCVWGWAAHVSB-LQKURTRISA-N	429.951	5.598	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	6546779	UNMQNAPQDZNBBB-LQKURTRISA-N	425.532	5.637	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccccc1F	8846480	OAXNDPHGSXTQAR-WOJGMQOQSA-N	429.451	5.362	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1[nH]c(C)c(C(C)=O)c1C	13137617	FQDFUBCZJQQTCK-CXUHLZMHSA-N	429.314	5.175	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c(C)c1	20194786	PRWATMDHTUWQPH-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccc(C)s3)nc3ccccc32)cc1	28351019	FLNMLIDVENPCPK-CFRMEGHHSA-N	434.590	5.005	50	40	IKGB	
N#C/C=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	35077747	OTCJWCWIWRGKLY-DUXPYHPUSA-N	438.075	5.236	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	59116893	KSZCYSPPENFXEP-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1	59137898	GHGGKMMACPSKDO-UVTDQMKNSA-N	429.328	6.592	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1	59254960	PHAWSRVBVABPEL-DEDYPNTBSA-N	436.433	6.139	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1	59336075	OJOWJSAQGWTMRH-ATVHPVEESA-N	440.330	5.955	50	40	IKGB	
FC(F)(F)c1cccc(O[C@@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c1	100408183	SEUPHXGFZPGUQE-AXUOBQJMSA-N	426.276	5.121	50	40	IKGB	
O=C(/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1	103705269	OOVQMQBSGATCCA-UUILKARUSA-N	444.270	6.099	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccccc1	213996830	VXUHECIMTQYMPP-NDENLUEZSA-N	437.326	5.796	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223530930	ZGHCRZWDNGBCGJ-JTOGBTRBSA-N	429.564	5.481	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1	408752369	AEJZOZNVLLZVEM-RCCKNPSSSA-N	448.526	5.443	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c1	408784194	UKLHBAZTLVYGHL-UHFFFAOYSA-N	444.966	5.919	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C	408815185	PQMJHICPPOZEHL-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(Br)s2)c1	408995542	JXOIDOCGANLQHH-UHFFFAOYSA-N	436.762	5.335	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409048462	WPYIULOSZNZLNE-VEILYXNESA-N	439.515	5.463	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(O[C@@H](C)CC)ccc4ccccc34)cc2c1	409188784	GGRDVIGUGJRYKS-YMOZLIFUSA-N	430.504	5.926	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc2ccccc2c1	409228935	HJSNEKJZMDYISJ-RHANQZHGSA-N	442.490	5.259	50	40	IKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)c3ccccc3n2)cc1	2109606	ABFUHELYEVOWTF-AKBIMGJMSA-N	427.573	6.549	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	3032031	MZUDVPXAIICOTK-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1	4832035	VNVRFPXLYOJIOI-UBLMOGKNSA-N	426.944	5.204	50	40	IKGB	
CCn1c(SCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)nc2ccccc21	8818314	CUVATTMUBHTQPX-YUMHPJSZSA-N	438.556	5.605	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1	9243796	LSLNKZSYOKYCTC-SFHVURJKSA-N	441.318	5.390	50	40	IKGB	
N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nc2ccccc2[nH]1	12523664	GEEGZYSXKSJCDF-ZBJSNUHESA-N	436.518	7.238	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1C	28217013	UXFMGZLHPWODTE-MFKUBSTISA-N	425.985	5.688	50	40	IKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	28217331	AYOKZMKBRDWXGL-BRJLIKDPSA-N	446.403	5.952	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	33676975	YWGYAZLONDGVTL-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1	59272381	GYZRBAKFHALFBV-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)cc1	59921169	LTIBVZMCTDYHFR-BRJLIKDPSA-N	447.705	5.630	50	40	IKGB	
CCCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	103007328	VVTRPAHCLLXCIK-XDHOZWIPSA-N	425.525	6.733	50	40	IKGB	
c1ccc(C(c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104153465	QMEXJYYTGLEAQQ-UHFFFAOYSA-N	430.531	6.502	50	40	IKGB	
O=C(COc1ccccc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	408528362	HLCMDBJOYJCCTM-STBIYBPSSA-N	433.511	5.372	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccccc1I	408568943	XPBLARHCFRTANY-NDENLUEZSA-N	449.295	5.635	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)o1	408599138	FGQNWLDUHYEVOP-JVWAILMASA-N	426.520	5.502	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1	408803820	ATYZUMVPUFPBMN-FYJGNVAPSA-N	446.934	6.036	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)c2)cc1	408879218	CFSDYJLGQZFPKL-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1	408889102	DQFUHOCNHXCDCN-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1cccc(Cl)c1	408893619	HFABHJMYYVZIPG-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c(C)c1	408907882	PVJSBFPGXZKMAZ-MTDXEUNCSA-N	446.547	5.064	50	40	IKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408909883	FIIKTPLFBVLEAJ-STBIYBPSSA-N	438.527	5.565	50	40	IKGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1sc2cc(Cl)cc(Cl)c2c1Cl	408964463	RLRCNLUKNHRTNA-SCDVKCJHSA-N	428.684	5.534	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4C(C)C)c3C)cc2c1	409188508	ZUANFEXJNMWSTB-NTFVMDSBSA-N	443.547	6.126	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	1932467	DGDIWZGLCOIFEM-SFQUDFHCSA-N	436.920	5.791	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)ccc1Cl	3036590	GKLQYUGGBHSBOW-FOKLQQMPSA-N	447.716	5.200	50	40	IKGB	
Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)N/N=C/c2ccc(Br)cc2)cc1	3085260	VADVVBPEVSTADS-JEWPKMHUSA-N	447.376	5.522	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	10059291	CGOBLLYMXFXOGX-WBBAFLOHSA-N	444.453	6.008	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1	16480588	FPYZNRBVXGAGOB-VUTHCHCSSA-N	436.511	5.609	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)n(-c2ccccc2)n1	16492749	FDTWYJKFMZTYQP-CVKSISIWSA-N	435.314	5.610	50	40	IKGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240602	UJEAIFKPHGRCGL-VUTHCHCSSA-N	445.994	5.559	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C	33247815	FYAFFQJFXZNEAW-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)N=C3CCCC(O)=C32)o1	102514034	OOLMDRFVDLFMTG-QHCPKHFHSA-N	447.560	5.846	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1ccccc1F	107591026	FZXRVSCPGWZNFP-LGMDPLHJSA-N	429.882	6.137	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	208250697	GZBMHMABQRCWMZ-QTYGBZKPSA-N	434.367	5.245	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1Cl	408590247	OJAUKJZRKKHWJL-OPEKNORGSA-N	434.754	6.127	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1	408792441	BEYXDNIWVGIYMW-XSFVSMFZSA-N	432.907	5.863	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1	408799435	ZGZIVEUHUQMCHT-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Cl)c2)cc1	408886247	IZQDJCAOQUJXFZ-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(F)c2)cc1	408888557	XBKGANMHMIGKGH-XSFVSMFZSA-N	446.478	5.358	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1	408891426	QJJXCQPRCYIPHY-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1	408905572	ZJCLMYCDWALTHG-MXAYSNPKSA-N	449.850	5.337	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409023969	OKSHNHNYVVSLBB-SQFISAMPSA-N	440.977	6.497	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)o2)c(Br)c1	409222022	BALLFDFFDACEAI-BRJLIKDPSA-N	440.341	5.197	50	40	IKGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1	409314356	SJWWRQDIFBLXBW-CQSZACIVSA-N	446.359	5.012	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)NC(=S)N1	409370816	DPNOICJOICNCKL-LJQANCHMSA-N	446.403	5.915	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1	2633371	NNXBOUHVOQVLFH-PDGQHHTCSA-N	445.500	5.609	50	40	IKGB	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	2768452	MSHQYLOMWMAWEM-OHQZHEALSA-N	432.527	5.632	50	40	IKGB	
Cc1ccc(-c2[nH]nc3c2[C@H](c2cccc(OC4CCCC4)c2)C(C#N)=C(N)O3)c(C)c1	8382685	RWRRYTZFFIPLLO-JOCHJYFZSA-N	426.520	5.233	50	40	IKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccc(Cl)cc1Cl	13896806	FWCSYTXXJSJRAG-NUGSKGIGSA-N	433.122	5.435	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c(OC)c1	35419239	VGOSUPYBZVCSDW-JVWAILMASA-N	427.504	5.028	50	40	IKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	102600468	KOBXKRYHQZGKPT-QFIPXVFZSA-N	449.532	5.320	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21	208192592	GIJUVRZQQBRLCU-SLVCOGOPSA-N	428.363	6.261	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccccc1Cl	408800306	LTSAUEFGFFEWLZ-DTMXKTEGSA-N	445.994	6.253	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccccc2F)c1	408886782	JAXMQDMMYJIVMZ-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(O[C@H](C)CC)c(OC)c3)cc2c1	409189360	JZCCEIAQLAGKBD-VLKICEKPSA-N	444.915	5.435	50	40	IKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(Cl)cc1Cl	409237624	KECVVZUHVUDTNV-WKIKZPBSSA-N	440.305	5.899	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)N1CCc2ccccc2C1	8721531	GLTRMZNMFJNXSB-WOJGMQOQSA-N	433.851	5.000	50	40	IKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	13424411	XXINZVOIBYNWPE-MHWRWJLKSA-N	425.307	5.562	50	40	IKGB	
Cc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1	33089348	MPMLZSIIJUBVJJ-WGARJPEWSA-N	448.979	5.289	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)cc1	59435300	AVWSZBXQLWCERS-WYMPLXKRSA-N	431.275	5.194	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2[C@H](C)CC1(C)C	208308732	AWCAWWFPMKKQLX-HBEGMLAUSA-N	440.591	5.546	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccccc1	408753095	LIMMMZYUCBZRSE-SAPNQHFASA-N	447.288	5.214	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408827327	GQDYLMYHZBRUJU-VULFUBBASA-N	426.303	5.400	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1cc(C)cc(C)c1	408892562	CNKBBRQLWDHVAX-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408963680	AERNEDZFPPJLHC-CEUNXORHSA-N	438.575	5.946	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1C	409077554	DSWLTHVFAZDBJV-WKULSOCRSA-N	431.580	5.039	50	40	IKGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C5CCCCC5)cc4)c32)ccc1O	6239332	GHGDRKDXEOVITH-QFIPXVFZSA-N	442.519	5.057	50	40	IKGB	
O=C(OCCCCCl)[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	100930686	PKKSIDRANDIEFY-DADVEIPYSA-N	435.389	5.400	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc(C(=O)O)c1	408566498	AFPNYSPJBHVKQB-NVMNQCDNSA-N	443.434	5.052	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1Cl	408761697	KUWNTPSHWVBDRE-BRJLIKDPSA-N	439.302	5.213	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(C)c2)ccc2ccccc12	408872141	LHLWLDCWMIJUOR-XIEYBQDHSA-N	446.550	6.835	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409055002	HOVXVAKFTPJSDL-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCC	409070164	KWXBDJGDHUKJOZ-GZTJUZNOSA-N	430.426	5.387	50	40	IKGB	
O=[N+]([O-])c1cc2c(cc1[C@H](Cl)[C@H](Cl)c1ccccc1)[C@@H](O)[C@H](c1ccccc1)N2	4235275	CJLRAVOKFQHUCE-CLAROIROSA-N	429.303	6.055	50	40	IKGB	biogenic
CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCCOc1ccc([C@@H](C)CC)cc1	9425555	YFWAZBMNKOPHRH-TYSUYXETSA-N	427.928	5.781	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(I)o1)c1cccc(Cl)c1	33667118	BNFQLAQHQPBRRX-UITAMQMPSA-N	434.458	5.364	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	96476396	MMVZFSJJIREEQR-NDENLUEZSA-N	447.922	5.608	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1	109018296	YDUBAQWOCWVVAJ-ODLFYWEKSA-N	435.277	6.000	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl	408581261	VOKNFKUKIHVBON-GZTJUZNOSA-N	425.271	6.545	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1C1CCCCC1	408763225	IIUQTNOQHWKHMD-PDGQHHTCSA-N	426.358	5.918	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc(Cl)cc2)c1	408800850	PUZWQWINXZBUNN-LDADJPATSA-N	434.879	5.179	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C	408808752	NDNIWPXVLANDDU-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1	408814480	FVJYKFCRFMDGGN-VEILYXNESA-N	439.515	5.234	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408845539	GKHJUORHVMREIY-HMMYKYKNSA-N	440.449	6.243	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	408869469	RZXRWVNKBMWZPE-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	409044199	UFHIMRPDQPTLCJ-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(C)cc1	409191516	YADIUDOMYXHSIE-JLPGSUDCSA-N	444.575	5.667	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc(F)c1	409228453	AHZMPMUKHHTWCX-HAHDFKILSA-N	444.506	5.069	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	409365097	XDGVXBZIMXCYGA-MUFRIFMGSA-N	427.479	5.120	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(Cl)cc1	409378861	SPAWHBNNXQHGJK-UDWIEESQSA-N	435.911	5.378	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)[nH]c2c1	409392562	QSQMCTZOTGXPCP-NDENLUEZSA-N	425.488	5.532	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1cccc2ccccc12	1101519	JTSGPWNRQPPONN-ONUIUJJFSA-N	441.534	6.946	50	40	IKGB	
O=C(CCCCl)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	2210361	TYLMXNXPFLOYRF-UHFFFAOYSA-N	442.755	5.634	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1	2426779	LPKFHAJUJPGJFJ-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	3034173	RMLZEKRVVJHQMO-LGJNPRDNSA-N	439.298	5.936	50	40	IKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1	8915124	CKHWPCXCPIUNNE-RCCKNPSSSA-N	430.577	5.987	50	40	IKGB	
CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1	9553838	UIMKOQJUGQPAEX-VOHAGXJVSA-N	430.548	5.812	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O	13321452	NKJUSXIDWLIYCD-OGLMXYFKSA-N	425.488	5.084	50	40	IKGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3	15979213	HBPRBPOHUDWWRM-AOHITCTBSA-N	427.529	5.335	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1	30820857	UOLBYZMTCQKAAH-WZJLVRHISA-N	436.533	5.010	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1Cl	59421114	VPALPGLRYHAOGQ-NUGSKGIGSA-N	428.102	6.324	50	40	IKGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	107951985	AULCRKCTWHFAIV-BRJLIKDPSA-N	430.266	5.149	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl	408579992	MIZWLPOVZFCKHB-LICLKQGHSA-N	444.745	7.299	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1cccc(F)c1	408876338	NYGRFVPHRNEFKB-CIAFOILYSA-N	448.925	6.323	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccccc1	408890383	SDSBZBFMENGTRW-XMHGGMMESA-N	433.305	5.574	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C	408967673	RNFZAXWZNPBPLQ-UNOMPAQXSA-N	438.358	6.509	50	40	IKGB	
CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21	409036939	CAHZVXPHPGBDKN-YKQZZPSBSA-N	446.554	6.257	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)c1	409252329	DEGMOJHMPOLUFY-FYJGNVAPSA-N	427.460	5.293	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)[C@@H](O)c1ccccc1	409265012	MEQRROXKZCKTGU-KZFQQGOLSA-N	433.511	5.027	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1C	1009193	AWVGCJASBIQBBA-XMMPIXPASA-N	448.950	5.659	50	40	IKGB	
COc1cc(/C=C(\C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	2876113	PFNIOLBODIAECA-QGMBQPNBSA-N	438.842	6.039	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	9908352	IBVIUXFIMDWRBS-HNQRBIFTSA-N	449.598	6.241	50	40	IKGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)n1	12446040	GAHKJSSZOBSNSL-STBIYBPSSA-N	432.527	5.619	50	40	IKGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)Nc1ccccc1S2	13149580	YZFYMAMXFQGFEX-JFLMPSFJSA-N	425.513	5.908	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1	35085075	VTTRAYRHKXKVGU-ZROIWOOFSA-N	429.657	6.335	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)ccc1OCc1ccc(Cl)cc1	100175508	VNVRFPXLYOJIOI-ABQAMXDPSA-N	426.944	5.204	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1ccc(Cl)cc1Cl	408579844	KKIPQTFZVYHXLP-VZUCSPMQSA-N	427.081	5.283	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	408580032	MPNGGLDXFNNNOG-CIAFOILYSA-N	446.934	6.047	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl	408580656	QHOLKDWVUBFURY-FYJGNVAPSA-N	430.334	7.790	50	40	IKGB	
CSc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1	2323260	NLABFOLCWBFAFP-CVKSISIWSA-N	431.948	6.041	50	40	IKGB	
N#CC(C#N)=C(Nc1ccc(Cl)cc1Cl)SCc1ccc(Br)cc1	2341205	AMDDAAFTTNEGOZ-UHFFFAOYSA-N	439.165	6.360	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	3067298	RHZJRVDPDHCYPI-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	3236810	CHKJVDZQYJCEMQ-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
N#C/C(C(=O)c1c[nH]c2ccccc12)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	10272149	VSJVUGIZGCYPQU-XYZDCVNTSA-N	449.535	5.477	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	10315715	YDRSRBDVWDNWNJ-VULFUBBASA-N	444.362	5.492	50	40	IKGB	
COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	16157709	WOZZQZKYCWOYTH-HEHNFIMWSA-N	428.488	5.007	50	40	IKGB	
C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)N/N=C/c1ccccc1O	16322179	VGDHFABFBZHZAA-AZRQGOPLSA-N	445.302	5.409	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(C/C=N\NC(=O)c2ccc(Br)cc2)c1C	16362429	VAKLNYRLCHZLOP-MXAYSNPKSA-N	438.369	5.432	50	40	IKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	96477409	JAWCOHITBCCKKW-QFEZKATASA-N	436.920	5.767	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1Cl	408583016	QXLMFIQMONUNER-FYJGNVAPSA-N	449.934	6.399	50	40	IKGB	
CN(C)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3)ccc3ccccc23)cc1	408788269	DHWOWQHEPBWZAX-NKFKGCMQSA-N	447.538	6.030	50	40	IKGB	
CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408830329	PGVNWJICFLZGKZ-PXLXIMEGSA-N	442.515	5.527	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(N(C)C)o4)cc3)cs2)cc1	408840626	ZPBPBHXUEIJJFJ-AFUMVMLFSA-N	445.548	5.285	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Cl	409186884	JBMJUMAIAJMADP-MSXFZWOLSA-N	433.291	5.467	50	40	IKGB	
N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1	720246	MVKCBXZINPKDPC-LJQANCHMSA-N	445.391	5.288	50	40	IKGB	
CCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)n2)cc1	948252	SIHSYCXUVWDJHH-LDADJPATSA-N	449.532	5.162	50	40	IKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1[nH]c(-c2ccccc2)cc1-c1ccccc1	9059236	LMKOLYXEVVZASU-CVKSISIWSA-N	444.878	5.674	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3Cl)n2)cc1OC	9348953	KUKDEFKOYVALDK-RAXLEYEMSA-N	432.332	6.111	50	40	IKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1	13658800	LWRCLSDTIIVBOH-XFXZXTDPSA-N	434.721	6.342	50	40	IKGB	
C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	14131066	GLSDNLCWRAIHGT-LICLKQGHSA-N	431.273	5.237	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCCC1	20530642	FYNVGHKXBGNXJL-CAPFRKAQSA-N	444.966	5.939	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)c1	28216312	DTHCVDZVGCKRQL-RPPGKUMJSA-N	444.362	5.547	50	40	IKGB	
COc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br	107896213	NLMFFZUSRXPJBN-XGICHPGQSA-N	438.075	5.193	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2cccc3ccccc23)c1	408796620	AXMMCMXUNROAAP-LFVJCYFKSA-N	448.522	6.282	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)cc1	408807789	HRFWMUPAAXRUPL-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(F)cc4)cc3)cs2)cc1	408840540	CFWLUFCKAIAPAK-VULFUBBASA-N	430.508	5.765	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1cccc(F)c1	408866995	HUNDEQCFCHZESO-UDWIEESQSA-N	434.898	5.933	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)c1	408875964	IFQCBJXDNWGGPW-SSDVNMTOSA-N	449.381	7.055	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1	409092706	WFFBWJSTHKPYAH-BOPFTXTBSA-N	444.403	5.149	50	40	IKGB	
COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCc1ccccc1	409213880	VAXSJOLBXBPEFB-AFUMVMLFSA-N	440.952	5.170	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12	409232052	NPVAYOLUOWAQGH-LQNQUEJISA-N	435.502	5.675	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1	409246161	FUTVXMVSPSVUII-OEAKJJBVSA-N	425.351	5.673	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	1095555	MISVINMJUXNDBK-VIZOYTHASA-N	427.685	5.507	50	40	IKGB	
COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3ccccc3C)CSC2=C1C#N	9693494	ZCKJROOVFMOKDF-HXUWFJFHSA-N	441.556	5.376	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	13388081	VHVCFXRCOFGTAU-BJMVGYQFSA-N	430.169	5.466	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1cccc(Br)c1	28216201	YZNYEECEZWFTDY-YDZHTSKRSA-N	442.382	5.099	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	33654864	HTCCCTWZANOJBK-DHRITJCHSA-N	449.850	5.434	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	34719222	SMSMGKXUXFXGET-JLHYYAGUSA-N	431.706	6.761	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc2ccccc2c1	59334897	WQROSZZLSZBGNS-XYGWBWBKSA-N	440.543	5.541	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	100843763	AHSISUURGIDRAB-RVDMUPIBSA-N	433.886	7.021	50	40	IKGB	
Br[C@@H]1C=C(c2ccccc2)[C@@H]2C[C@@H]1C(c1ccccc1)=C[C@@H]2Br	169795581	GZMSWWLYOVNSKV-UJOPUZHASA-N	430.183	6.330	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC	408583917	YRWMKBZHGDDBOL-RGVLZGJSSA-N	449.890	5.699	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccc(Cl)cc2)o1	408795110	KGFUIZTXAJYERZ-GXDHUFHOSA-N	429.328	6.592	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c3ccccc32)c1	408804629	ZBDIKKCDKPTMCF-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1	408812251	MJVYPYGEMJJWTH-UQQQWYQISA-N	441.575	5.669	50	40	IKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408882134	NKYFIRLKDIDYLJ-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O	408924712	NRODRNFWCUCBHL-MZJWZYIUSA-N	449.422	6.377	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1	409011193	MSKAHJKQQRORLL-MTDXEUNCSA-N	425.532	5.800	50	40	IKGB	
C[C@@H](Br)C(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)CN1CCCCCC1	1646404	OGKRECNIEBIOLI-LEWJYISDSA-N	442.441	5.837	50	40	IKGB	
O=C(c1ccc(Br)s1)[C@H](Cl)[C@H](Cl)c1ccc(Br)s1	1685384	XPMPRVLKIPQPMA-NXEZZACHSA-N	449.016	6.105	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OC	1910579	SNCXMXQJILCFKR-QGOAFFKASA-N	442.943	5.862	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)[nH]c2cc1C	9273544	WLAGJVBHNDQWDE-DEDYPNTBSA-N	447.498	6.155	50	40	IKGB	
CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1	9969762	PKDYBWOMDQEEQI-GBZINIMXSA-N	431.536	5.207	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)NCc1ccco1	13881166	DVBQUTDSMYQDFK-LICLKQGHSA-N	427.287	5.389	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(F)cc1	28216016	GSDNLUHHMZIPHE-BRJLIKDPSA-N	429.948	5.270	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC	408540418	RNGLXLUNDUIMSN-ANYBSYGZSA-N	446.591	6.742	50	40	IKGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1Cl	408578977	CCTBPTYUOQBKOK-YCRREMRBSA-N	447.941	6.288	50	40	IKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(C)C	408792188	JGLSOQGIKPLBOI-HZHRSRAPSA-N	440.543	6.252	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1Cc1cc(C)cc(C)c1	408871370	XWOLWFODOFUFHB-WGOQTCKBSA-N	438.571	6.401	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408956896	ZFDGJQQZDNTZGS-KQWNVCNZSA-N	444.538	5.437	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1Cl	409051382	LLKMTINKROGUGJ-RPPGKUMJSA-N	431.294	5.784	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccccc1	409242206	VNBSCHDPGMGCPZ-MIXAMLLLSA-N	446.522	5.225	50	40	IKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1	59417849	KBUWAHIKQDWUSX-BRJLIKDPSA-N	447.705	5.630	50	40	IKGB	
CCCCCCCCCCCCCCCCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1	100167125	JTLYDBBOTCJRQU-ZXVVBBHZSA-N	440.672	7.750	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)nc2c1	108906709	JJJGOFJXADAPNM-UYRXBGFRSA-N	433.471	5.847	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1c(Oc2ccc(Cl)cc2)ccc2ccccc12	408954928	NSBLWQJVKMSFDJ-MTDXEUNCSA-N	428.919	6.368	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4cccc4)cc3)o2)c(Br)c1	409249205	MUXUFRAWNVLGKL-MYYYXRDXSA-N	448.320	5.572	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1C	409272346	PTDDPWCWWPCIGH-KGENOOAVSA-N	427.460	5.293	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409389786	AGMUKMOAWQIGMG-UVHMKAGCSA-N	447.878	5.014	50	40	IKGB	
CCOc1ccc2ccc(OCC)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c2c1	818623	KDYPVGWYAOMOGC-QHCPKHFHSA-N	432.520	5.088	50	40	IKGB	
CC1=C(C#N)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)C2=C(N1)c1ccccc1C2=O	988618	ODLKDYPWUMAXFB-VWLOTQADSA-N	440.506	5.631	50	40	IKGB	
N#C/C(=C/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	2277050	XMNZJSYCPBJKAT-TVZYSNLZSA-N	428.300	6.645	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1ccccc1Cl	8410780	NLNZDFCCCCYWAI-OAQYLSRUSA-N	430.939	5.996	50	40	IKGB	
O=C(N/N=C/c1c(F)cccc1F)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	12564984	OLAYSPVTEHLMPF-IPPBACCNSA-N	441.437	5.042	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)cc1	13786375	YXFAMGGIHZHVJB-MOSHPQCFSA-N	425.919	6.197	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1Cl	20760502	HXUVPBZYJBKOBT-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc2ccccc2c1	33850612	ISJAQWDSEGCGPN-CEUNXORHSA-N	434.542	8.060	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1	164909904	SUKIUODTRBEBER-XTQSDGFTSA-N	427.891	5.111	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cccc(F)c1	207054068	QKBFCFPCXSWAAA-HYARGMPZSA-N	444.506	5.911	50	40	IKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408795598	LTUCBHXYDNSYAP-VZUCSPMQSA-N	426.097	5.310	50	40	IKGB	
COc1ccccc1NC(=O)N/N=C\c1c(Br)c(C)n(-c2ccccc2)c1C	408851155	VQHWFXLZGOVEDF-QRVIBDJDSA-N	441.329	5.021	50	40	IKGB	
CC(C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl	408954531	XPXATZBCMIHASI-YVNNLAQVSA-N	435.705	5.400	50	40	IKGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(NC(=O)OC(C)(C)C)C(C)(C)C	8887702	FNXYHFKFXCKTFU-UHFFFAOYSA-N	442.343	5.637	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1nc(CSc2nc3ccccc3s2)cs1	12558545	AORZHLYNSHVNGU-NTEUORMPSA-N	425.991	6.763	50	40	IKGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	16136163	GEUFIQOKPUGDJN-AFUMVMLFSA-N	447.288	5.124	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	33370872	ANQFCZLGFWHQQX-PDGQHHTCSA-N	436.964	6.450	50	40	IKGB	
CCCCCCCCCCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1	97981404	KHTIMKIQDLFDLC-FLFQWRMESA-N	446.660	8.660	50	40	IKGB	
FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c1	100408185	SEUPHXGFZPGUQE-FDPIWHGQSA-N	426.276	5.121	50	40	IKGB	
N#CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3ccccc3)[C@@H](C(=C(C#N)C#N)C3CC3)[C@H]2C=C1	102132145	KPMYTGOXYTXWGB-SATIQFTFSA-N	442.522	5.053	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408854893	KKNZUARAWNXDED-MYKKPKGFSA-N	445.306	5.255	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1cc(C)cc(C)c1	408875770	KSHZRIFTMLELPF-WSDLNYQXSA-N	444.962	6.410	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1c(C)cc(C)cc1C	408980390	WDMYOOMXGXOUTH-WSDLNYQXSA-N	429.520	5.260	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	409043515	RJNWCAWPQLAOPD-XDHOZWIPSA-N	447.878	5.638	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCCCc1ccccc1	409255270	YQWSBTLRJORSAL-LGMDPLHJSA-N	425.315	5.909	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1	409257119	QQALVLQXRMZLLT-RDRPBHBLSA-N	425.532	5.128	50	40	IKGB	
COc1ccc(O)c(/C=N/NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)c1	3275074	QLQOARLBJLXRGY-JFLMPSFJSA-N	432.520	5.176	50	40	IKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1	8386214	BIGLEFGCWSIWRW-AFUMVMLFSA-N	440.952	5.170	50	40	IKGB	
CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)ccc21	9065470	KDRRHYCLWPVBGG-CAPFRKAQSA-N	434.568	7.223	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccc(F)c1	9292686	ODIKKUOSVONXAH-JOCHJYFZSA-N	438.462	5.013	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1	9323489	VSKIBLRFIGBBSZ-OKCVXOCRSA-N	448.444	6.202	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(C)cc1	33773633	DPWZGXOIMRAZCE-JLPGSUDCSA-N	427.519	6.905	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc2ccccc12	408749961	VKARINRZGFIDKS-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408889667	ISZIKFAXWFJPIN-UDWIEESQSA-N	432.907	5.787	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1	408893639	HIORPKIJGYFMTP-CPNJWEJPSA-N	431.423	5.167	50	40	IKGB	
O=C(N/N=C\c1sccc1Br)c1cc(-c2ccccc2)nc2ccccc12	409033665	ONEXEBAMUCMJRK-QRVIBDJDSA-N	436.334	5.490	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccccc1	409075888	YXYPMRQBAQOYAO-QGOAFFKASA-N	440.318	5.281	50	40	IKGB	
CC(C)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409118629	QBQRJRVOYICMEY-AUEPDCJTSA-N	425.381	5.412	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Br)cc1OCc1ccccc1	8781314	ZQOFGPXOOOHORR-VULFUBBASA-N	448.320	5.273	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OCC)c1	13739151	OUQDQEYJWDTXSE-WQRHYEAKSA-N	444.512	5.778	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1	16639158	STUUFHZUXZBQST-MTDXEUNCSA-N	438.612	6.108	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\C(Br)=C\c1ccccc1	30840553	LKRPFHONFHJIDW-GLHPQQTJSA-N	435.321	5.270	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Br)cc1	408581295	WBIMWASILAETFM-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408819272	PQOKCBLXAQSDIY-BRPDVVIDSA-N	435.527	5.781	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1Cl	408921782	BYNDOPZHKQMEST-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408959735	DWYIGAZGSNYODX-BRJLIKDPSA-N	443.286	5.035	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409127737	RCODAGUDPRYHRG-OAQYLSRUSA-N	441.314	5.387	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OCC)c1	957981	NLNFLIHGRHSJDF-NTEUORMPSA-N	434.275	5.081	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)cc3C(C)=O)n2)cc1	1261436	XIGNGOJINZEHTQ-GHRIWEEISA-N	449.532	5.405	50	40	IKGB	
CCCCCOc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1	3090693	MFIFCPPXEREKQA-TURZUDJPSA-N	443.547	5.580	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1	4082069	ZGCYWHMYAHXQBX-HMMYKYKNSA-N	431.967	6.591	50	40	IKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cc2c(ccc3ccccc32)o1	9236070	GQWGGPSBOKCDDX-WGOQTCKBSA-N	442.475	5.248	50	40	IKGB	
COc1ccc(C(=NNC(=O)c2ccc(-c3ccccc3)o2)c2ccc(OC)cc2)cc1	9554028	HPDJOUSLSJWGHU-UHFFFAOYSA-N	426.472	5.146	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	12372220	AMDBOMFFOQCXGL-VETIKCSRSA-N	434.971	5.385	50	40	IKGB	
O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCCBr	72113420	WHPPNEGYVADQAD-UHFFFAOYSA-N	439.147	5.154	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1	83263160	HIKRUFFUNWSPPK-JCMHNJIXSA-N	427.504	5.125	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C(=O)NN)CC[C@]4(C)[C@H]3CC[C@@]21C	118928962	HJVWCTNBJZXJIV-LATCXDJJSA-N	428.705	6.634	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NCc1ccccc1	408746241	CULJDMOAGAFSHL-UQQQWYQISA-N	441.534	6.066	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	408764022	RDOBQNWRNGEUQU-LQKURTRISA-N	444.966	5.919	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	408794897	UAPLMDWTUNTPLK-MDWZMJQESA-N	442.258	6.016	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1	408813673	OREYTATUZRFJNR-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C	408821477	HYVWPJZDDKWQTO-OYKKKHCWSA-N	439.309	5.253	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(F)cc1	409194227	PHNCDZROSPJQPN-JCMHNJIXSA-N	448.538	5.498	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)c(C)c1	409262533	HSCNMNKAGNUOFU-DEDYPNTBSA-N	443.478	5.006	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)c2ccccc12	409380575	NUGOHNLUYHIGQC-DEDYPNTBSA-N	428.923	5.439	50	40	IKGB	
Cc1ccc([C@@H](NC(=O)N(Cc2ccccc2)Cc2ccccc2)C(Cl)Cl)cc1F	3212508	ATDPQEPHNOQBOD-JOCHJYFZSA-N	445.365	6.391	50	40	IKGB	aggregator
C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2C)=C(C)N1	3998065	GFNYADTXSWZXTH-JOCHJYFZSA-N	435.980	5.902	50	40	IKGB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)c1	9458619	QAZLWZXRIPDQHD-PGMHBOJBSA-N	445.526	5.889	50	40	IKGB	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	9544358	IMSDEGVVVBEWAZ-UHFFFAOYSA-N	441.560	5.052	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2Cl)cc1	15239919	ZGVDLVBNOJJTQF-OAQYLSRUSA-N	448.906	5.010	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2coc3ccccc3c2=O)cs1	16525185	RSUDCJRCKBDCRL-QPEQYQDCSA-N	425.296	6.287	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1	20194966	ZZZQQMJKAXOWFU-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1Cl	34880127	HHSQKXJSWJGWBP-YBEGLDIGSA-N	428.294	6.086	50	40	IKGB	
CCCCCCCCCCC[C@H](Br)[C@@H](Br)CCCCC(=O)O	100302760	SWFMDFRDYDMKQK-IRXDYDNUSA-N	442.276	7.079	50	40	IKGB	
CC(C)(C)c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(S)s1	102618743	WIXZPORTMGWAEL-UHFFFAOYSA-O	434.590	5.349	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc2C(C)=CC1(C)C	208526233	JXPUUPGWLFDMTQ-WGARJPEWSA-N	425.960	5.199	50	40	IKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	408529278	IZRANLCOQMAIRZ-ZHZULCJRSA-N	449.348	6.098	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Cl)c1	408579958	LZKFBYHNJUITOX-XDHOZWIPSA-N	437.326	6.384	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(O)cc1	408795745	MXVSUYJMCZCRSX-LDADJPATSA-N	449.304	5.279	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC(=O)c1ccc(C)cc1	408892386	ZCVILTVHQFHVBD-KGENOOAVSA-N	426.472	5.077	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408963727	AMTYHKKVBJGJBY-ZFILKEQLSA-N	443.263	5.409	50	40	IKGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Cl)c1	409194180	NXTWFSVUEVKXSH-BRJLIKDPSA-N	443.286	5.035	50	40	IKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)cc1	2230397	SIDKYGSMISZIDL-QGOAFFKASA-N	425.504	6.587	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccc(Cl)cc1	9805712	SBFHEHFXNVPZQW-RGEXLXHISA-N	448.906	5.482	50	40	IKGB	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\C#N)c2nc3ccccc3s2)cs1	12891618	FKBKEEVQEQNWPD-GZTJUZNOSA-N	430.558	6.118	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1C(=O)O	13345141	TTXUPPBZAAYWQG-ZRDIBKRKSA-N	427.243	5.497	50	40	IKGB	
CCOC(=O)/C(C#N)=C/C=C(\Sc1nc2ccccc2s1)c1ccc(Cl)cc1	16682015	YNGHCTKDAMUIKL-DWFDGKQZSA-N	426.950	6.096	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OCC(C)C)cc3)n2)c1	17113294	WGZAPCRYMOVWIH-CPNJWEJPSA-N	433.533	5.608	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	33662774	TZUYZFONONQCPQ-BOPFTXTBSA-N	443.341	5.491	50	40	IKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1	55082648	GMWXPHAZFWNGSP-FQEVSTJZSA-N	442.607	6.005	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	59117127	HBSHQPPLUPABLI-LDADJPATSA-N	446.337	6.542	50	40	IKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@@H]2C1	100682394	DXRNFIVTELFJLN-QKYXUNIQSA-N	435.369	5.315	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)nc2c1	107848624	HPPIBEQRIJVSLX-JLPGSUDCSA-N	438.534	7.092	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc21	208472760	CHCTVSAQJRRLET-MFOYZWKCSA-N	440.374	6.479	50	40	IKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408539875	ZRJKKHFZKUJRAH-ATVHPVEESA-N	427.888	5.753	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl	408569311	NDPUNWVKJWDIDZ-DHDCSXOGSA-N	425.294	6.481	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1	408580355	OUHRFZBXVHTAEK-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)ccc1Cl	408598616	GCCGRADPMGMWDS-JFLMPSFJSA-N	446.890	5.694	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408813598	URPJFGNGVCSLLW-MHWRWJLKSA-N	433.335	6.035	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC	408818729	YSRJBQKGUYAUGD-GDNBJRDFSA-N	445.288	5.097	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1F	408860291	ZYKPKMOTKAORDT-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)Nc3cccc(C)c3)cc2Br)cc1	408908450	CORWYMBLLUEJFD-UUYOSTAYSA-N	444.354	5.966	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)c(Cl)c1	408963140	MXUCEPMFQPOONL-LUOAPIJWSA-N	437.824	5.669	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1	409215508	ADHRIKSGGDPLKB-QNGOZBTKSA-N	440.886	7.045	50	40	IKGB	
O=P(CCl)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1	2228162	PBEYIISWQQRWCF-UHFFFAOYSA-N	440.455	6.059	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CCC(=O)Nc3cc(C)ccc3C)ccc21	4090183	GXBFAAHGKFICDA-OGLMXYFKSA-N	440.547	5.300	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1cc(C)c2cc(C)ccc2n1	6281454	HVSYCMMOBDKIRJ-VULFUBBASA-N	429.545	5.256	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)c1ccc(F)cc1	9324131	WCHHPNGJXYHMAV-RGVLZGJSSA-N	433.280	6.103	50	40	IKGB	
CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc4c(c3)Nc3ccccc3S4)ccc21	12498799	KDZAXFZMDAVEIE-RWPZCVJISA-N	441.560	5.727	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1c1ccc(Br)cc1	35316355	KNQAAWSISUVRAO-IBGZPJMESA-N	443.304	5.211	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1	59335529	INBVBUJGQZJJCO-ZHZULCJRSA-N	436.471	5.452	50	40	IKGB	
CCc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98043372	MKZMONGFFNPKKP-JKSUJKDBSA-N	441.119	5.240	50	40	IKGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccccc1	101422101	PKXYATRZWIJTAA-LGUFXXKBSA-N	447.608	5.391	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1C	107811300	WWGQCYYJVNHXKL-MOSHPQCFSA-N	443.478	5.006	50	40	IKGB	
CC(=O)OC/C(C#N)=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118927575	CKWFORLOHLVCPJ-FQTHICQDSA-N	425.569	5.264	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	408795834	MSYGESKVXZCLOD-LICLKQGHSA-N	441.325	5.185	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccccc1Cl	408800308	LTSAUEFGFFEWLZ-WRNUTHQKSA-N	445.994	6.253	50	40	IKGB	
CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408801890	WKVWHDJIRBEKLQ-RCCKNPSSSA-N	428.488	5.219	50	40	IKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408810362	KIEGKFZMHWESOZ-FLYOJIJBSA-N	443.374	6.174	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408817991	XMMPPMJTPWNDPD-MKMNVTDBSA-N	440.710	5.704	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OCc1ccccc1	408889013	AQAHZFNWPQQOER-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CC1(CC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)SCCS1	409219070	IQDQWYBVBYKXAT-PCLIKHOPSA-N	436.602	5.455	50	40	IKGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(CSc2ccccc2)cc1	409343007	FRZRFTMGBAXFFD-UHFFFAOYSA-N	429.589	5.361	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1cccc(Cl)c1	2161520	DARDUSFSCOSEKA-RWPZCVJISA-N	441.918	6.411	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)c1	2658663	MCHMETIOXGKJJS-WYMPLXKRSA-N	442.972	5.501	50	40	IKGB	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2ccc(Cl)cc2)cs1	9158607	SPLCSUDARKUIAR-RVDMUPIBSA-N	445.956	7.397	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1	10476015	HVVYZOWSDAQYNK-MTDXEUNCSA-N	446.547	5.064	50	40	IKGB	
C/C(=N/NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)C2CC2)cc1	17094657	DVWFFLZEGXHQRL-MXAYSNPKSA-N	425.941	5.366	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1F	59117154	CKPVDFRDGOMOHU-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	59117635	OASWMRYMFFVUQM-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(C#N)cc3)c3ccccc23)c(C)c1	216049833	OPJYAAYXUCIEJH-OCSSWDANSA-N	434.543	5.179	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	408526596	CPYPNWWBAXZAKN-CCVNUDIWSA-N	430.939	5.214	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)cc1	408587765	UJOGVWBHUCWUHD-ODLFYWEKSA-N	425.315	6.252	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br	408742354	QSMQAMRWZZKGHK-UFFVCSGVSA-N	428.113	5.085	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc([N+](=O)[O-])c1	408745303	QZIBGYAANYDMTI-NDENLUEZSA-N	443.459	5.037	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1cc(C)cc(C)c1	408868124	NKSJJNTZVYCCJY-WSDLNYQXSA-N	444.962	6.410	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1Cc1cc(C)cc(C)c1	408881097	LZDDPMZKIVPJRF-BUVRLJJBSA-N	440.543	5.847	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	408883141	SZQCUGVUBJGSLB-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCCc1c[nH]c2ccccc12	408956105	WCXHELSDZRRQOE-HMAPJEAMSA-N	439.490	5.152	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409236578	SCCSXMRBWSTZDR-RAXLEYEMSA-N	448.853	6.649	50	40	IKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3ccccc3)c3ccccc3n2)cc1	648460	FHVYMHSLPZJMDF-UHFFFAOYSA-N	438.531	5.666	50	40	IKGB	aggregator
CCc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	3376981	LEKVDWCWCKPDLU-OEAKJJBVSA-N	435.568	5.111	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(F)cc1	8812309	NQGPFAVNJGKDDE-RWPZCVJISA-N	432.882	5.975	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(F)cc1	8812453	SVSIDSIHOZLPEQ-RWPZCVJISA-N	432.882	5.975	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1	8837123	UVDLFCKEEZGXFW-CPNJWEJPSA-N	446.528	5.455	50	40	IKGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(COc3cccc4cccnc34)cc1)CCC2	12312155	LVHFRTNAPSJNFG-GKPLWNPISA-N	449.554	5.901	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC(F)F	15978372	FYCPKRZXDVASQZ-XYOKQWHBSA-N	426.391	5.157	50	40	IKGB	
CCc1nc(C)c2c(C)c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)sc2n1	26163028	ZTTWABDPWCBXFD-UHFFFAOYSA-N	429.760	5.588	50	40	IKGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1	96751829	ORAQXDZBTKHAAG-XFXZXTDPSA-N	445.273	5.596	50	40	IKGB	
Oc1c(Cl)cc(/N=C\c2ccc(N(CCCCl)CCCCl)cc2)cc1Cl	104138051	SZTHLUAPCUBBEH-CFRMEGHHSA-N	434.194	6.514	50	40	IKGB	
CC(C)[C@@H]1CC[C@@H](C)[C@@H](OC(=O)[C@H](Br)[C@H](Br)c2ccccc2)C1	104257198	ACZPKEKRNBBSNG-SOVHRIKKSA-N	446.223	5.890	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	108234405	WCZQKQZSBSLYFV-STBIYBPSSA-N	439.559	6.143	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccc4ccccc34)cc21	223505512	KEJFPHUWAIWKKJ-STBIYBPSSA-N	425.576	6.322	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1nc2ccc(F)cc2[nH]1	408565841	BEYAJSBYWSXKFZ-YHYXMXQVSA-N	443.221	6.241	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1nc2ccc(F)cc2[nH]1	408566954	BWDOPYRMPKBKDM-GHXNOFRVSA-N	442.675	6.442	50	40	IKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1	408581212	VBRJXBJYECEGCE-NTUHNPAUSA-N	441.550	6.328	50	40	IKGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1ccccc1	408708209	OPYFOJCRYRAWET-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC	408789122	OCHUAKCUZFEYHL-WUXMJOGZSA-N	425.699	5.600	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C	408800517	NJHTWOAZLAYUHT-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Br	408818775	OVOKKTUCPYONEH-ATVHPVEESA-N	438.300	5.541	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1	408851747	FSONKWRWWFUJQA-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1C	408852853	WIONPYDVIUTTRM-IWIPYMOSSA-N	436.559	5.458	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1cc(C)cc(C)c1	408865348	BXGXMRJXOGHMPA-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)c1	408869885	SJGQMKPLVXMYJI-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc2)cc1	409240314	GMEPZFBJBUEFPC-PKAZHMFMSA-N	426.541	5.829	50	40	IKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1	409306443	ZYUNOMKFLZRNAI-HNNXBMFYSA-N	446.359	5.012	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cccc(F)c1	409394239	XLVVLFPBHKBPAY-NHDPSOOVSA-N	448.324	7.929	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cncc(Br)c1	1055827	XQKMASVIYCDJAF-LSFURLLWSA-N	439.096	5.175	50	40	IKGB	
CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)CSc1cccc2ccccc12	8874946	SEKZCYVESUJQRL-YUMHPJSZSA-N	428.557	6.023	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1O[C@@H](C)c1ccccc1	9434996	XZNAGYOIWUFXHM-NGIIGVMLSA-N	426.516	6.079	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCCOc1ccc([C@H](C)CC)cc1	13942564	YFWAZBMNKOPHRH-HDAKKWKLSA-N	427.928	5.781	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C	33735134	ITJWJSYZUFIYSK-LQKURTRISA-N	425.532	5.637	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OC	59473323	LMOQKQZZDVZRAV-WPWMEQJKSA-N	446.572	5.457	50	40	IKGB	
N#CC1=C(N)S[C@H](c2ccc(Cl)cc2)[C@](C#N)(C(N)=S)[C@@H]1c1ccc(Cl)cc1	222032163	YCSVQCWWFNNSLM-MBOZVWFJSA-N	445.400	5.055	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\NC(=O)c5ccncc5)[C@@]4(C)CC[C@H]32)C1	245232170	PXMZBKQJYAKCCM-MQXSZUMMSA-N	449.595	5.062	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(C(=O)O)c1	408543983	UFSOCXHRGZSBTI-HAHDFKILSA-N	448.478	5.663	50	40	IKGB	
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccncc1	408741962	SZXGNYXOMPEMAC-NJZRLIGZSA-N	442.522	5.970	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)c1	408745512	NCPBDMNTXTXBQJ-JAIQZWGSSA-N	444.560	5.589	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc2ccccc12	408748042	XLRRLOPHWUBZLA-XYGWBWBKSA-N	448.522	5.651	50	40	IKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OC(C)C)cc2)cc1	408830325	NZNKHRYHMUKUHK-XQNSMLJCSA-N	426.516	5.907	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1	408842782	KWGXOCRBQDYFLZ-VULFUBBASA-N	447.947	5.879	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(Cl)cc1Cl	409187426	QFFDZVJZNKHUNT-LSHDLFTRSA-N	431.304	5.378	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)cc3C(C)=O)n2)c1	1244091	KLFRBPGBGFVAPS-FOWTUZBSSA-N	435.505	5.015	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(Br)c3)o2)cc1Cl	2070036	WBLVQQAVPSZDMA-FOKLQQMPSA-N	447.716	5.200	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1OCC	2759434	VEJLDSPOIGHUQB-ZVHZXABRSA-N	430.957	5.896	50	40	IKGB	
CC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1	14152214	WDUINHOKABVXOP-LDADJPATSA-N	441.512	5.507	50	40	IKGB	
N#C/C(=C\C1CCCCC1)c1nc([C@@H]2C=C3C=C(Br)C=C[C@@H]3OC2=O)cs1	28465141	YGNZJNYMXCVOBU-NJRDZFTKSA-N	443.366	5.414	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc2c(ccc3ccccc32)o1	33349322	KPMPITUPKLLMTI-IPPBACCNSA-N	448.400	6.629	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	33731974	URXDJUZKSOSUQY-IUXPMGMMSA-N	443.261	6.684	50	40	IKGB	
CCC(C)(C)OOC(C)(C)C#C[C@H](/C=C(\Cl)C12CC3CC(CC(C3)C1)C2)OC(C)=O	100681783	PLCZOUFQHLCKME-CJJTYRJCSA-N	437.020	6.176	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc3c(c2)OCO3)cc1Cl	408990203	NGRJBBLYSOHAAO-ODLFYWEKSA-N	446.890	5.502	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	408994291	ZAEVDGNRZNPEPQ-QGOAFFKASA-N	449.495	6.235	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2c1	409011881	OTTOCBOWFHPVBW-JVWAILMASA-N	427.504	5.028	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	409244542	FEOVGTJGCKGWKK-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409393252	PKCMRUFJHBXUJT-YSMPRRRNSA-N	447.513	6.748	50	40	IKGB	
COc1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)c1	2279595	ZPWXLIBJQQTJGP-KAMYIIQDSA-N	442.338	5.566	50	40	IKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1	3226558	QBAHFRRZOCJPOV-VUTHCHCSSA-N	443.591	5.540	50	40	IKGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)c1	8739957	LPDOJAUPRYUQEK-HKWRFOASSA-N	431.499	5.499	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(F)cc1	12590772	DNYAPOCYOQVERJ-CPNJWEJPSA-N	430.504	6.477	50	40	IKGB	
CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(Cl)cc3)c(CCCl)s1)C(=O)N2	13857156	BWXVJEQCORLJNE-UHFFFAOYSA-N	445.375	5.576	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1c(Cl)cccc1Cl	15188579	KZYWYWNCLYHREY-ZRDIBKRKSA-N	428.231	5.707	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1	20197473	LAISQCMEJNLRSY-ZVHZXABRSA-N	441.325	5.570	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1cccc2ccccc12	33629457	KTCWZSFPLUDVJA-YSMPRRRNSA-N	430.507	6.753	50	40	IKGB	
Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1	38680128	SUJYTQHHTJICIK-NRFANRHFSA-N	434.854	5.225	50	40	IKGB	
CC1(C)CC[C-]2C(=[N+](c3ccc([N+](=O)[O-])cc3)C(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)C1	57234787	LPKJWTFHQUILGY-QFIPXVFZSA-N	434.927	5.609	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1	260564871	FSTLDFPSULZLBX-CJMVGXJBSA-N	437.971	6.006	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C	408591480	UHRQRMYKIYFREG-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1ccccc1F	408881609	JJRVOZUROSZUIX-UDWIEESQSA-N	434.898	5.933	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409178369	LLTOAFBWDWGSDI-WPWMEQJKSA-N	439.471	5.020	50	40	IKGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1Cl	409318430	WMZYZQFPSMPPHZ-IBGZPJMESA-N	434.948	5.774	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	409322688	MSJMWCLHMNLQOY-PKAZHMFMSA-N	432.520	5.135	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1C#N	409334525	SMKAOOMYICPIGY-XYGWBWBKSA-N	430.507	6.753	50	40	IKGB	
O=C(Nc1c(Cl)c(Cl)c2c(c1Cl)Cc1cc(Cl)ccc1-2)C(Cl)Cl	1699701	YFZZVAOOCUZYMM-UHFFFAOYSA-N	429.945	6.614	50	40	IKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cccc(Cl)c1	3175216	QMWZWEIEEHYSFT-QJTDOHDFSA-N	445.744	5.563	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CCCCC2)cc1	4155278	LNRMDLLILTTZGD-WGARJPEWSA-N	432.351	5.666	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1	8763832	KAQGXCOALYAQJM-KGENOOAVSA-N	431.561	5.767	50	40	IKGB	
COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3ccccc3C)CSC2=C1C#N	9693493	ZCKJROOVFMOKDF-FQEVSTJZSA-N	441.556	5.376	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)c1	12284879	UEIZFQMDGQNTHC-PDGQHHTCSA-N	435.321	6.180	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1	33451237	YWYLSMJIHOUXPS-FOKLQQMPSA-N	439.880	5.795	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	208248971	ZFBQKIFYSWOJMP-FYDYWCEBSA-N	435.955	5.685	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cccc(OC)c4o3)cc2[C@H](C)CC1(C)C	208317636	IZBLTLOZRFLDRU-VSWHYLHOSA-N	433.552	5.626	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(C(=O)O)cc1	408544868	VSRDKHGSUCTLOH-NDENLUEZSA-N	434.289	5.790	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408735674	VZEXJUCMEJWONE-UKTHLTGXSA-N	431.706	6.761	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(C)cc2)c1	408804156	WNMNLRQMMUFVDZ-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408885614	CVONIROCHSAHKL-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(-c2ccccc2)cc1	408998422	UKQLJUIWLJVMEX-AJBULDERSA-N	443.550	6.678	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1	409070500	YPXMTXMSEHBLNF-WYMPLXKRSA-N	435.763	6.562	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)c1C	409258620	UXGXPFGEGWLJIL-KGENOOAVSA-N	427.460	5.293	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2c(c1)OCO2	409359203	ABECYFWNMCANBI-FYJGNVAPSA-N	439.898	6.865	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	1439477	YKBSEAGYUWIZBV-VCHYOVAHSA-N	446.337	6.542	50	40	IKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	1772746	ZAMGTBYBMCSFKW-KGENOOAVSA-N	428.919	6.240	50	40	IKGB	
Cc1c(C)c(C)c(C(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c(C)c1C	3132540	YORUIFVMXANPSV-RBUKOAKNSA-N	438.203	6.311	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250045	MBKGJKGUHIFHQW-NRFANRHFSA-N	429.372	6.212	50	40	IKGB	
O=C(N/N=C\C=C/c1ccc(Br)cc1)C1c2ccccc2Oc2ccccc21	15930522	GBEGLCSEQCBVFH-PYYFDVPESA-N	433.305	5.502	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1	59432929	JRVAHLPVIHASJW-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	408599962	PRXDRVVBYLNYIV-OCSSWDANSA-N	434.543	5.623	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(F)cc1	408734086	CYHKNWWHJGQHFP-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1	408742904	COVWLTFJSBALMO-QJOMJCCJSA-N	426.564	5.794	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)c(C)c1	408787696	FAJPGWOTFCAKLL-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccc1F	408812523	OYYSHXGYBQKDAK-AQTBWJFISA-N	429.882	6.028	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408889861	KARWRUYWQMAKFU-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1F	409054583	SWGAMOYKXRXUIJ-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1cccc(Br)c1	409134309	NTXLGBIGLAFGBI-SRZZPIQSSA-N	446.197	5.530	50	40	IKGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1	409313774	IZPJCWUIUUSMLT-OQKWZONESA-N	434.495	5.930	50	40	IKGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409323412	OWXDCRFCWDSGCC-OAHLLOKOSA-N	447.343	5.052	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	409360945	GDKGIFGEIPGAEZ-XODNFHPESA-N	434.902	5.044	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C	9948531	GGYVKVPVGNPHLR-KKMKTNMSSA-N	430.426	5.420	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Sc1nc2ccccc2s1	33656010	MIKXEIMRWHKTEO-GXDHUFHOSA-N	439.905	6.775	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	205703079	SUAYZVVFVYZWMG-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)c([N+](=O)[O-])cc1C	252484851	GJKVDYPZNBEMNK-CPNJWEJPSA-N	429.476	6.141	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OC	408581608	JOJNHJKZABPHTG-CPNJWEJPSA-N	448.906	5.439	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1Br	408756936	UTUUHMZDLYKRSM-NBVRZTHBSA-N	447.288	5.214	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1	408802969	JSAQCQUIFWTDHJ-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)NCc1ccco1	408813941	FGCHWLWRXMPYNP-LICLKQGHSA-N	427.287	5.389	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408870118	VKTZMPCUGIFFDQ-CIAFOILYSA-N	445.906	6.002	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1	408897264	RCDMUTMDGRKSJT-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1	409063630	DAHWOFYHWZLNPS-FOWTUZBSSA-N	435.892	5.048	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409193786	LTAZQCJBZWMAOX-VULFUBBASA-N	446.894	5.324	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccccc1	409223991	IBUQABXCQIVDBR-PLRJNAJWSA-N	433.555	5.654	50	40	IKGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(SCC#N)O1	2229945	ZYNSBNLGBBGWLE-KRWDZBQOSA-N	437.348	5.716	50	40	IKGB	
O=C(Oc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1Cl	2307436	KVVWHEQWJYLRJL-UHFFFAOYSA-N	446.870	6.073	50	40	IKGB	biogenic
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1nc2ccccc2s1	4289988	VPGIEIDCERISKN-BJMVGYQFSA-N	436.128	5.591	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1F	28216337	LXPQMUCIAGUARW-OPEKNORGSA-N	434.298	5.069	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC(C)=O	31904639	BGVIJMPVQUHMPM-PXNMLYILSA-N	440.908	5.470	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4c(F)cccc4Cl)c3)[nH]c2cc1C	33557276	BVDSWGMAPMGXPK-WOJGMQOQSA-N	431.898	6.615	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1	59117000	YCYJGPRSXNQDLS-ZHZULCJRSA-N	425.919	6.197	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	100706519	HMZGHCFZCSCGAX-QFIPXVFZSA-N	433.533	5.483	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1	408585796	IUQLMKRWHOPLGT-WQRHYEAKSA-N	425.271	6.545	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)Sc1nc2ccccc2[nH]1	408599779	ZRCOZHRUXGRXMH-XQNSMLJCSA-N	433.536	6.952	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1	408877839	XGWMUJHPFHOBDM-RCCKNPSSSA-N	430.891	5.263	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408939386	SAIIJNKVTSUTOJ-ZDLGFXPLSA-N	440.396	5.969	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(C)cc(C)cc1C	408985766	NDXKWDRVFKUFJC-OEAKJJBVSA-N	440.543	6.054	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)c1	408993201	VDENBGTZUCRPTO-FOWTUZBSSA-N	431.542	6.203	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCCc1ccccc1	409239211	GYNDJRNMCOKGPP-GHRIWEEISA-N	425.315	5.909	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc(O)cc1	797844	AVYSUKRIVLUHDQ-QGOAFFKASA-N	427.891	5.594	50	40	IKGB	
CC1=C(C#N)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)C2=C(N1)c1ccccc1C2=O	988619	ODLKDYPWUMAXFB-RUZDIDTESA-N	440.506	5.631	50	40	IKGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	1244880	ABDQPUHAPAHRHB-JLHYYAGUSA-N	430.316	5.880	50	40	IKGB	
O=C1c2ccccc2[C@](c2ccccc2)(N(CCCl)CCCl)N1c1ccccc1	1686911	SNULECMUIYDNLR-XMMPIXPASA-N	425.359	5.328	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC	1777396	SOEABSAGKJANGW-XMHGGMMESA-N	426.944	6.162	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(F)cc1	2630325	INWLJXBXJXAKTK-RWPZCVJISA-N	444.462	5.036	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)c1cccc(F)c1	2873103	CCYIOJPMJWVZIM-KEBDBYFISA-N	433.280	6.103	50	40	IKGB	
CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC	3090801	MHRVETBUFDRXMV-ZMOGYAJESA-N	439.339	5.100	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(F)cccc3Cl)cc2)cc1C	408605980	ZUTDUPLCGCKQGG-UYRXBGFRSA-N	434.898	6.221	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	408734792	JWULUKWVXHXXSZ-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408740929	JFXAUIJZJPKNNP-OVCLIPMQSA-N	433.298	6.262	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1	408742643	XJYKKJXIGGDXES-MOSHPQCFSA-N	434.337	5.080	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1ccc2c(c1)OCO2	409194443	BYCYPTCEJYZHBU-OVCLIPMQSA-N	441.270	5.205	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	409243692	ZNTLHLVILDNIMY-ZROIWOOFSA-N	430.813	6.473	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccc2c(c1)OCO2	779961	GYJNSEZUPBIFDY-YCPBAFNGSA-N	436.773	5.111	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	1439449	GQZMNOVAVFYIGT-DEDYPNTBSA-N	445.906	5.423	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1	1452503	MBARLIANCJKEAH-NDWLXSOOSA-N	436.490	5.463	50	40	IKGB	aggregator
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc2cccnc12	1453300	UBLNVJWTIXMGGL-RVDMUPIBSA-N	434.282	6.347	50	40	IKGB	
N#C/C(=C\C(Br)=C\c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	3227849	DEXMDANGPZTTKT-NMYAVHRMSA-N	427.754	6.806	50	40	IKGB	
CCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1	20132608	ZWRDUTFFGOBYMW-ZETCQYMHSA-N	426.561	5.214	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1	32752584	ICJMOGGGODIEAP-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1	40476967	FVGHFCGSGTZFBW-XDJHFCHBSA-N	425.513	6.117	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	59272178	XWTJYGZZMWKWNA-XNTDXEJSSA-N	433.733	5.745	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(Cl)c1	59297362	QWIGACZQBXDNID-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2[nH]nnc2-c2ccccc2)cc1	100029771	QOHGKAPYJZGBBK-NHFJDJAPSA-N	447.583	5.755	50	40	IKGB	
N#CC(C#N)=C(C#N)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)s1	101002731	DVHUTMXLMSSPIR-UHFFFAOYSA-N	434.549	7.271	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)cc1Cl	408591193	RXAODLKDGAXYJQ-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1	408794043	HPEZCOYQYHJBTQ-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1C	408815372	RGABIFDQUFCKHO-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c3ccccc32)c1	408994032	FHMNHSNIYLAJNP-MZJWZYIUSA-N	431.923	5.181	50	40	IKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	409097911	OUZJUJGWLXEOEL-DHDCSXOGSA-N	446.334	5.156	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1	409360963	GFHNSIAWTLSHCF-MYYYXRDXSA-N	437.337	5.029	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)NC(=O)N1	409371244	HFJCZCUYLDGZLN-IBGZPJMESA-N	430.335	5.750	50	40	IKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(C#N)cc2)c(C(C)(C)CC)c1	3226730	LJTRETNDHBWJBX-TWKHWXDSSA-N	447.623	6.243	50	40	IKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N(NC(=O)Nc2ccccc2)C(C)(C)C)c1	4109977	SBCQETLCQMRUKH-UHFFFAOYSA-N	444.535	5.225	50	40	IKGB	
CC(C)[C@@]1(Cl)CC[C@@H]2[C@](Cl)([C@@H](Cl)C[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)[C@@H]1Cl	4403858	CUPOGARAUNRNNM-LKVCGYJWSA-N	444.270	6.523	50	40	IKGB	in-vitro
CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	19644924	ZRBPKIRHZPWNJC-IMQIKVDYSA-N	446.554	5.886	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1	19646767	FKKZGJWFRHFEOE-LQKURTRISA-N	447.991	6.894	50	40	IKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc(C(C)(C)C)cc3)cc2)cc1	34888687	IBMIAUBNUKIVLV-BRPDVVIDSA-N	444.575	6.116	50	40	IKGB	
CCc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1	408707142	HDVKPPMIIAWHSI-JFLMPSFJSA-N	448.954	5.352	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3F)cc2-c2ccc3ccccc3c2)cc1	408723961	BEMLCDWZRDYLSE-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1	408747973	WKBYXKGCRVTPTD-UVTDQMKNSA-N	441.712	6.217	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C)c(C)c1	408877852	UWRLKKPBEWHZER-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1Br	409098877	QZNVALCIFYCCRT-YDZHTSKRSA-N	445.769	6.018	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	409187265	ODQBOZGGQKRWDX-CVKSISIWSA-N	449.963	6.256	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2cccc3ccccc23)c1OCc1ccc(Cl)cc1	409301189	DEBCBRXZVVXKHX-JWGURIENSA-N	425.915	7.145	50	40	IKGB	
COc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1Br	409373323	UHUYEAYGXGNYFL-JYRVWZFOSA-N	440.078	5.126	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1	1915605	XOWVIYKVTWYWMX-LPYMAVHISA-N	444.339	5.911	50	40	IKGB	
COC(=O)[C@@H]1C(O)=NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1C	9014603	MFWSLHYPMJUUSZ-PKTZIBPZSA-N	442.540	5.660	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1	10475939	VBYCFFQNNVDIRK-JVWAILMASA-N	436.939	5.319	50	40	IKGB	
O=C(N/N=C1/CCCCc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1	16035755	CZAKGCIDZQXCLP-PNHLSOANSA-N	434.992	6.493	50	40	IKGB	
CCCCCCN(CCCCCC)CC(=O)/C(C#N)=C1/NC(c2ccccc2)=CS1	25325978	OMNKZSPUNRWNME-LVWGJNHUSA-N	425.642	6.088	50	40	IKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	33722979	KYVZWWCMCCKCKF-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
Cc1cccc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccc(C)c12	102920957	ZWSNSEJRQHYRBD-UHFFFAOYSA-N	431.539	6.951	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1ccc(F)cc1	408599826	LRRGVFHXUQBCBZ-OCSSWDANSA-N	441.550	6.199	50	40	IKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(Br)cc1	408691718	NGIDSIBAIXVITR-PDGQHHTCSA-N	431.337	5.814	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1	408888148	STMLOUGNCDSVCV-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1	409189432	GOPXQDCEARXTKU-JVWAILMASA-N	434.923	5.420	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1	409212716	PWMGPYZPZJFDRB-NDENLUEZSA-N	449.304	6.309	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc3cc(Cl)ccc3o2)sc2c1CCCC2	974121	SJKFCZYOPCJFTJ-QXMHVHEDSA-N	427.913	5.575	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1	20197840	MFGSYZZVYJAFJH-JVWAILMASA-N	436.939	5.780	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccccc1F	33412116	KKUMVYXIRZNNKU-NDENLUEZSA-N	448.324	7.929	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	39348247	HYOVYMPIMZAZGJ-WLRTZDKTSA-N	441.295	5.993	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OC	59117277	FZIAAEIRCSUJAZ-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
ClCCN(CCCl)c1ccc(/N=N\C(=N/Nc2ccccc2)c2ccccc2)cc1	104382232	YHFSXEYOWPLHML-HPEDWDNBSA-N	440.378	6.528	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C(C)C	223598223	PVAREGZMXCKKKV-BDBXIWDTSA-N	435.999	6.695	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	408541664	FBTQYAHMBBFDCW-HAHDFKILSA-N	448.478	5.663	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1	408874801	AYNLRFOOLSLKNQ-RCCKNPSSSA-N	431.333	5.894	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)c1	408963566	OKUGANLRPWVCCE-IPPBACCNSA-N	435.449	5.781	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)c1C	2161495	FRJIPZQBAZRLRA-MUFRIFMGSA-N	435.527	6.374	50	40	IKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1	13645161	XFBGSTPAJZOYKZ-XNTDXEJSSA-N	428.344	6.530	50	40	IKGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1	58900703	MDNXNYUOGIPJSZ-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	59291880	LPVRKRGAFAKBSK-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)cc1	102928436	MBOFXVDTTNETMG-QHCPKHFHSA-N	447.560	5.792	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1	105182587	VNVRFPXLYOJIOI-GBPAOJJTSA-N	426.944	5.204	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cccc(I)c1	108099033	OCFWWSITHSWAKZ-BOPFTXTBSA-N	442.275	5.902	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(C(=O)O)c1	408543744	SSCDBRRGITXIAC-NTEUORMPSA-N	427.243	5.497	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccc2ccccc2c1	408549425	SOVXIUCMTBDLEZ-UNOMPAQXSA-N	434.720	7.580	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408791578	YYGVVSWPQMGYDN-GZTJUZNOSA-N	441.325	5.267	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C)c(C)c1	408844440	IZFOIQACVXZFRY-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2)c1	408873268	RWLHUESWILSMQV-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc(Cl)c1	408891795	VLPZOMREHRKTKQ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)ccc1Br	408904515	KTFGODWKHRCQKJ-OYKKKHCWSA-N	438.325	5.492	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cc(Cl)ccc1Cl	408966058	JRJCTQORNWNUSE-KBKYJPHKSA-N	429.282	5.176	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408985087	VBNKNZQXSCHDNH-LCYFTJDESA-N	442.258	6.016	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1	409238430	ZYTKUPXCGKSRJN-FPJJECCMSA-N	446.934	5.712	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1CC[C@H](C)C2	1772675	CELMMXPXMGPGGO-HUCUOGIVSA-N	436.577	5.719	50	40	IKGB	
O=C(Oc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1	3025129	IEQUIWFRSAASGD-ZTKZIYFRSA-N	434.495	5.188	50	40	IKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	4256672	UCOFMYNMZBTRCX-OQLLNIDSSA-N	435.302	5.743	50	40	IKGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9405005	ICLZXWWWZYGCQF-FMIVXFBMSA-N	440.277	7.112	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	28216495	DGZDRYCHQGZIMU-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
COc1ccccc1C(=O)NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1	59488972	FJVXHLAQAISCNR-VLGSPTGOSA-N	426.479	5.230	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C=O)c2nc3cc(Cl)ccc3o2)sc2c1CCCC2	100929696	WYDKRVXEKXROHU-BENRWUELSA-N	430.913	5.250	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)cc1	108091006	PAPNFFRDUNJZBF-PGMHBOJBSA-N	428.536	5.192	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1	252508374	XMDNQIHAGJYVGG-LFIBNONCSA-N	444.840	6.727	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccccc1Cl	408725616	MQXPQVZOCYTJSF-UNEKGKTCSA-N	440.971	5.594	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1	408884715	YEZAJVHKPOBIGM-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408961789	FCLVZPJJBXBKNW-KKMKTNMSSA-N	433.861	5.839	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	409048186	RATGBQZFGZFVCW-VCHYOVAHSA-N	425.271	6.545	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1	409052647	VFXLWUJEQAZPET-JFLMPSFJSA-N	436.939	5.698	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc12	409199563	PBWHJKKSMXYAHX-OEAKJJBVSA-N	449.510	5.199	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1	409253130	ASYWHIYSVRIQNE-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1cccc(Cl)c1	409391759	LDAOHUIHSPXIBR-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409394386	ZSUXBJUPCBWNAT-IWIPYMOSSA-N	440.493	7.016	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OCc1ccccc1	2081159	GWLQVRCAOVOWGV-WGOQTCKBSA-N	441.443	5.198	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	6573660	JFIBMWBUYQPGEU-UVTDQMKNSA-N	427.287	6.198	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(C)cc3)c3ccccc23)cc1	10315761	KLRMHQMRXCBBOX-RDRPBHBLSA-N	439.559	5.398	50	40	IKGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	20100793	YKVHCRFYKXEXLB-WYMPLXKRSA-N	433.291	5.181	50	40	IKGB	
O=C(CCCC[C@H]1CCSS1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1	30966373	ZUFQGXBVISCTIW-RXVVDRJESA-N	425.623	5.677	50	40	IKGB	biogenic
N#C/C(=C1/OC(=N)[C@H](c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1Cl	31818231	GNVSTEHBPDMGME-FEQLKLMHSA-N	426.086	5.895	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c1	33478174	AVAZTLPLLYUPSQ-MZJWZYIUSA-N	444.922	5.065	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OC(C)C	33546444	QFNMELWZLUCRAY-VULFUBBASA-N	440.927	5.452	50	40	IKGB	
CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)O	100053709	UXHXSKUOVZUHBJ-SJORKVTESA-N	442.276	7.079	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2ccccc2c1	408598471	BDCIALSDPUBXBB-MUFRIFMGSA-N	437.930	6.260	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccccc1Cl	408792852	CRYOSOQOEUVTMQ-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)Nc2cccc(Br)c2)cc1Cl	409012147	JGPWZYGDJMECRW-UUYOSTAYSA-N	431.721	5.357	50	40	IKGB	
CCn1c(C)c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409036436	WECHJPIRCHJEQQ-RDRPBHBLSA-N	432.527	5.949	50	40	IKGB	
CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	409041925	LATSRYHITFBCJP-MKMNVTDBSA-N	434.279	5.482	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)cc1	409188383	YUQAAXMMEZKJFZ-MBTHVWNTSA-N	443.469	5.204	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409236042	RHLQTRZGCIFHOH-WSDLNYQXSA-N	445.501	5.837	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	409392718	RLNATDKINFKWCL-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
O=C1c2ccccc2OC[C@]1(Br)[C@H](Br)c1ccc(Cl)cc1	3138101	PRYGAJKLOMAOTI-ZBFHGGJFSA-N	430.523	5.185	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)c1	5948356	POSWGFUFOHLSOR-UDWIEESQSA-N	447.922	5.470	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	9201738	SWOUQHQEYUZGNA-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccccc1F	33561331	XNZLREQPNQRHFK-BOPFTXTBSA-N	426.260	6.370	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCC	59201088	JELGADHGSQYIEM-BOPFTXTBSA-N	443.341	5.355	50	40	IKGB	
Cc1ccc(C)c(NC(=O)CN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1	100492013	CQRRRTKIVBIHHU-UHFFFAOYSA-N	438.511	5.420	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)cc1	108002238	MONGVRZRRLCSID-QGOAFFKASA-N	432.526	6.390	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(Br)cc1	408565834	BALGYNORPPCNMQ-MHWRWJLKSA-N	435.300	5.936	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1cccc(Br)c1	408598491	BLSFTQHGTBXUDY-YBFXNURJSA-N	449.377	6.390	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc2ccccc2c1	408741576	JTSPBLAGXZPHIF-IWIPYMOSSA-N	434.495	5.973	50	40	IKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408801328	VGCQBLNLBAMHHC-VUVCFOEZSA-N	426.347	5.818	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3Br)o2)c1	409240725	QZVMNQPFXSRRSC-ATVHPVEESA-N	435.321	6.180	50	40	IKGB	
COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc2ccccc12	409370684	DFKYSLCAUCSLKA-DEOSSOPVSA-N	441.531	5.605	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccccc1	409390475	DBRLULCRPNHDJQ-MOSHPQCFSA-N	425.488	5.613	50	40	IKGB	
CCO[P@](=O)(c1ccccc1)c1nc(-c2ccccc2C)oc1NCc1ccccc1	2300506	AHRLPBBRKHDSLN-WJOKGBTCSA-N	432.460	5.528	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	2726910	JKCXKKQMJDQELM-PDGQHHTCSA-N	429.882	6.028	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl	8812368	ITBHOUHUEXBEKI-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2	8857234	YXYXCUFTOWQPIQ-CXUHLZMHSA-N	436.876	6.192	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1	260562988	DUYRGPBZKBHYQI-UOIFGXKSSA-N	431.580	6.050	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408795518	LXJXBIZWEREJML-YBFXNURJSA-N	429.863	5.042	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl	408952728	VPQLUWCDRQKJIP-RMJYUUNHSA-N	449.732	5.790	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(Cl)cc1Cl	408967332	PYSJBWARRBWOHC-KBKYJPHKSA-N	429.282	5.176	50	40	IKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCc2ccc(F)cc2)c1	408979929	DORIPWNJDLSGQX-RCCKNPSSSA-N	440.522	6.191	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1cccc(Cl)c1	409148796	RVJPKIQIGFFERS-WPWMEQJKSA-N	436.939	5.401	50	40	IKGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)o1	409189290	OUFKHYCCZKVQJB-LFIBNONCSA-N	434.879	5.549	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1cccc2ccccc12	409203706	YOWBPTQGTXWPDH-WPWMEQJKSA-N	444.556	5.572	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(F)cc1	9292558	RJGHCJWKBXZJLM-QFIPXVFZSA-N	438.462	5.013	50	40	IKGB	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)cc1	9335389	GOTWRUJPUNIJKP-DEDYPNTBSA-N	439.471	5.001	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(C#N)cc1	12311791	UDMCPXYSRZKDLX-RDRPBHBLSA-N	436.540	5.553	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC3=C2C(=O)CCC3)o1	13174397	ZILMRVKMKAOVHC-QHCPKHFHSA-N	447.560	5.006	50	40	IKGB	
COc1cccc(/C=N/NC(=O)Nc2ccccc2)c1OCCCOc1ccc(C)cc1C	13940527	ISXVLZCWZVQCEP-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\C(Br)=C\c2ccccc2)cc1	30802713	PJCUCTNFONXPRO-ZQDFQQJQSA-N	425.370	5.626	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(F)c1	59201288	DPVXBLRMJQZWIM-LPYMAVHISA-N	444.506	5.966	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1F	59335645	HZYUWMDTCKEGOC-KQWNVCNZSA-N	426.491	5.987	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc3ccccc13)[C@H](C)CC(C)(C)N2C(C)C	223595047	NTKKYBMUQJMVIJ-IIELIFRRSA-N	427.592	6.413	50	40	IKGB	
CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12	239165260	NUFQCYGMDGDPAI-OITRIXBGSA-N	446.956	5.615	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C)[C@H](C)CC(C)(C)N2C(C)C	260565455	IPNFNBXVWWVZCI-XBPUZACXSA-N	429.608	6.658	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OC	408580850	SBVHMZWPYBBWAF-WUXMJOGZSA-N	427.125	6.227	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408734920	LLVGWRUOESHBDT-CPNJWEJPSA-N	443.909	6.336	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408816771	UOEZBQFQABLBDY-XNTDXEJSSA-N	433.733	5.745	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1	408869573	SPUILBKODWFEER-XDHOZWIPSA-N	437.326	6.138	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc(Cl)cc1Cl	408888351	UPOBIHILUKUWMZ-UVHMKAGCSA-N	438.314	5.818	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1C	408991035	MKAGILFPBWPUIA-FOWTUZBSSA-N	431.542	6.203	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)cc2c1	409189359	JZCCEIAQLAGKBD-IDFPFIHXSA-N	444.915	5.435	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCCCc1ccccc1	409227517	PSJVNGPUUQZJJP-SAPNQHFASA-N	425.315	5.909	50	40	IKGB	
C[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2752544	FFCKJZOBNYXEMU-DTVDJLOLSA-N	438.325	5.192	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Br)c1	3162603	AJHSTZRKZSHMLM-VULFUBBASA-N	447.332	5.593	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	9201746	DVQDGWKKBHCLKI-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
N#C/C(=C/c1ccccc1Br)c1nc(-c2ccc(Cl)cc2Cl)cs1	9330969	OZPLOOCZNAISHN-GHXNOFRVSA-N	436.161	6.944	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@@H]3CC[C@@]21C	12359940	QNEPTKZEXBPDLF-YSWJNTRLSA-N	449.119	8.772	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	34704815	DSFLWXFMUYYUCY-JFLMPSFJSA-N	431.923	5.673	50	40	IKGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(SC#N)c([N+](=O)[O-])c1	100958972	HZSGSFNIMLSSPY-PDGQHHTCSA-N	429.461	5.040	50	40	IKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2[C@@H](C)CC1(C)C	223581620	ODSSVYPWHTUBNQ-BRLDDBHUSA-N	435.999	6.615	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408678381	XYOIQTVPKZIYFH-VUTHCHCSSA-N	442.607	5.756	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1cccc(Cl)c1	408892758	CHBOKAWCTZMBFD-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(Br)c1	408997573	RWAUACQPESAUAN-YSMPRRRNSA-N	446.348	5.774	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	409045473	YSAYTXWFBFXSTR-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)C(=O)Nc1cccc(Cl)c1	409075853	YOKGXSUWUUWCTR-ODLFYWEKSA-N	432.863	5.163	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)c2C)c1C	409392059	NQFLANZFESTSLF-UNOMPAQXSA-N	440.503	5.138	50	40	IKGB	
COc1ccc(/C=N/NC(=O)CCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1	2333704	YZLPETGWSYRTNV-VULFUBBASA-N	440.330	5.650	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1	10315750	JZULRXAEHWONDX-LQKURTRISA-N	445.950	5.435	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Cl)c1	15012627	IBVSCYFHYFAMOY-ATVHPVEESA-N	449.869	5.042	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1Cl)N/N=C\c1ccccc1OCc1ccccc1	28632613	AKXBRENUGVKPJE-ZMFRSBBQSA-N	428.319	5.135	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@@]43C)[C@@H]1CC[C@@H]2N(CCCl)CCCl	30728804	WSFHWKVFVZZVNI-FQJIPJFPSA-N	432.907	6.705	50	40	IKGB	biogenic,in-vitro
CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(CC)CC3)c3ccccc3n2)cc1	55082696	QAGXROCXBHJBFS-LJQANCHMSA-N	428.580	5.617	50	40	IKGB	
CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528371	DAZLSGMEMYZGOQ-CYBMUJFWSA-N	428.267	7.299	50	40	IKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OC	107738623	JKAMLVBYIFGQQM-MDWZMJQESA-N	447.379	6.123	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1	108271814	UUHQQOATQAOKMK-MZJWZYIUSA-N	447.922	5.124	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1	408802459	FHEFKUGTALROKV-MSPRMREJSA-N	432.523	6.203	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br	408809626	IBWWNJRACPULMK-JYRVWZFOSA-N	435.680	5.352	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N/NC(=O)c4ccncc4)CC[C@H]32)C1	2038441019	PXMZBKQJYAKCCM-VLHGYJSBSA-N	449.595	5.062	50	40	IKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccccc1	714739	XJUYGWMEUGOOOV-QHCPKHFHSA-N	440.572	5.193	50	40	IKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3sccc3C)c3ccccc3n2)c1	2109769	NRZHXDVFZXXQKJ-WPWMEQJKSA-N	443.572	6.215	50	40	IKGB	
COc1ccc(Cl)cc1-c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1	8853878	QOYQOBHOOQNMSC-RVDMUPIBSA-N	441.878	5.312	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1ccc(Cl)c(Cl)c1	9324249	FRPOVKAMZVIVFV-LFYBBSHMSA-N	427.081	5.283	50	40	IKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1C)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1	13943226	ZIYBRWGSSRCUDE-MTDXEUNCSA-N	433.939	5.379	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	39884699	LASAWZZJTFEVJS-XYOKQWHBSA-N	428.231	5.707	50	40	IKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC	408553220	MVYMXMUKMPIXHG-GZTJUZNOSA-N	435.549	5.150	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(F)c1	408735651	VRFURQZXUUARIX-VCHYOVAHSA-N	436.870	5.612	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccccc1	713586	YZEQEVLKCUNRNZ-OAQYLSRUSA-N	437.465	5.646	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1	1739494	SQEBMARTTMTYNN-GJZGRUSLSA-N	431.555	5.487	50	40	IKGB	
Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2)S/C1=C(/C#N)C(=O)Nc1ccccc1	2376690	MHMNLKDEDHHKTQ-GFPZRUSRSA-N	439.540	5.060	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C(C)C)ccc1C	3174808	WYASBDRXBOUFFA-ZMOGYAJESA-N	447.373	5.199	50	40	IKGB	
Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2s1	9215578	OVOZNZPKNJWOSG-SAPNQHFASA-N	436.496	5.469	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)cc1Cl	9693161	SFMPKSDVEZXKJS-MRXNPFEDSA-N	430.360	5.521	50	40	IKGB	
C/C(=N/NC(=O)c1ccncc1)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	12655693	UVRRRKXFKURMGX-NMIQCVSRSA-N	437.628	5.207	50	40	IKGB	biogenic
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	14407913	RPWXSAVCKQNIEJ-WPWMEQJKSA-N	439.471	5.020	50	40	IKGB	
C/C(=N/NC(=O)c1cccc(NC(=O)Cc2ccccc2)c1)c1ccc(Cl)c(Cl)c1	15162083	QFABBKXVBHPJAW-DICXZTSXSA-N	440.330	5.329	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC	16959940	XQXIJSMNIQQDOB-ZRDIBKRKSA-N	432.332	6.111	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1c(Cl)cccc1Cl	20247416	CXXXMRYWWBPERQ-BRJLIKDPSA-N	427.356	5.947	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccs1	59197714	BCHQBBCZETVNQZ-SSDVNMTOSA-N	449.757	5.507	50	40	IKGB	
CC(/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1)=C\c1ccco1	105206372	UHBQMIJUNMUCGF-HQQHZBFMSA-N	443.503	5.678	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	223513332	PNFYQVSNNCLITQ-UCQKPKSFSA-N	427.592	6.513	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1	408802986	JZESQUSVIFEUER-HAVVHWLPSA-N	448.522	6.282	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1cccc(Br)c1	408889308	CHKHIUUDGFAWGR-VULFUBBASA-N	448.320	5.273	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)c1	408894569	JPIIGAIWEYLTML-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccccc2Cl)c1	408900660	XHHMQVPIPNUXDG-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)c1	408940951	VVAXEZKYYWMVFR-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)c(C)c1	408999662	VIXIWUBUQWAZCP-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)Cc2ccc(F)cc2)cc1	409238982	YABZZQVHIOLBKC-RHANQZHGSA-N	426.491	5.559	50	40	IKGB	
CCCCCCC(O)(CCCCCC)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1	4837251	PRXUGBDXVZYVNA-UHFFFAOYSA-N	438.656	7.335	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1	6177790	KTMRJQUUJQRSDR-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1	8812411	KDYDTDGDTRUKFU-UVHMKAGCSA-N	444.865	5.360	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)cc1C	28215978	RYLSJKQMESBEPN-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cccc(F)c1	59201060	UMCOAMGYWZZVLI-HYARGMPZSA-N	444.506	5.911	50	40	IKGB	
CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3nccs3)cc2[N+](=O)[O-])cc1	95949636	CREFXURRILJCDL-VBKFSLOCSA-N	448.504	5.687	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1)c1nc2ccccc2[nH]1	408604444	JEZPAOCBZWVCPF-LFIBNONCSA-N	446.869	5.437	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408791826	DBBLYIHPVFFALD-LICLKQGHSA-N	441.325	5.185	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccccc1	408798512	FSUYCWHQTRIPBT-UDIPQKBFSA-N	430.511	5.346	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408855745	CWYWRGIJOLYBGD-AUEPDCJTSA-N	439.751	6.149	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1	408890189	PKVWAYOORSSSKS-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1cccc(Cl)c1	408891276	NYMWYLVCBRWFMR-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1	409021895	DQNSXKNILRQKJQ-MXAYSNPKSA-N	449.850	5.337	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1	1261482	XIHKREZTSOQOAN-QGOAFFKASA-N	432.501	5.146	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	1796954	XNCFYKGPUFDUFX-NDZAJKAJSA-N	430.507	6.189	50	40	IKGB	
O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12	2711757	NSUVELNNILHRPH-AFUMVMLFSA-N	446.304	5.134	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1C	18192508	MTRNSAVCPWQIDB-OEAKJJBVSA-N	430.511	5.724	50	40	IKGB	
COc1cc(OC)c(/C=C(/C#N)Sc2nc3ccccc3s2)cc1Br	33684641	LKGJEHQHRYLHHT-GHXNOFRVSA-N	433.352	5.733	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc2ccccc2c1	34736200	GESBKHVSZHANQQ-BKUYFWCQSA-N	437.411	6.513	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	34849012	HFXFBLRQNIRSPK-MZJWZYIUSA-N	444.922	5.065	50	40	IKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ccccc1Cl	35316386	JFMXRXWVQXOMPG-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2C(C)=CC1(C)C	208530984	QKLFARNKQWWHGX-CCVNUDIWSA-N	429.486	5.800	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	223168729	VYUJLPVOCNAVEI-MOSHPQCFSA-N	438.358	5.667	50	40	IKGB	
CC1=CC(/C=C(/C#N)C(=O)Nc2ccccc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1	408744755	ZSTKOTHPBDDEGI-JQTKYWOZSA-N	446.550	6.714	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Cc2ccccc2Cl)c1	408883924	WAHHYRPIUFGGSZ-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)oc12	408971709	PMQXGEBSZUEAQA-VULFUBBASA-N	434.879	5.438	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	408981793	BYDZFXIUJUYDRQ-WQRHYEAKSA-N	434.883	5.510	50	40	IKGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408985112	VJAAVQHUDOABOX-SDQBBNPISA-N	440.124	5.619	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409115931	JVWGBJKNVXUUNY-CVKSISIWSA-N	427.331	5.655	50	40	IKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409192993	HSYPCYJGPZJQRB-JHAVZTMOSA-N	439.737	5.052	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OCC)c1	1911620	ACBHGDIGWKGBBB-XQNSMLJCSA-N	441.483	5.442	50	40	IKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)c2ccco2)c1	17101751	BARKVMZEZKYMLQ-DHRITJCHSA-N	437.908	5.554	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1	20764610	NYYNQELKZYYKEI-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)cc1	28216463	SOSMPJIRJAYISA-VBYICHLGSA-N	425.985	5.687	50	40	IKGB	
Cc1ccc(C)c2c1-c1ccccc1[C@@H](Br)[C@H](Br)c1ccccc1-2	68565012	VQPRVYOHAKPSEI-FGZHOGPDSA-N	442.194	7.523	50	40	IKGB	biogenic
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1O	408598622	GGCJEPIZTFZISX-MLPAPPSSSA-N	425.653	5.113	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)c1	408778411	UEYSMVFUMRHJAI-STZFKDTASA-N	446.934	6.252	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(C)C	408805454	KCYJKGYOMDHRQV-RIYZIHGNSA-N	449.732	5.444	50	40	IKGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408825986	BWWXZVZHOFEVHK-VULFUBBASA-N	426.303	5.400	50	40	IKGB	
CC(C)COc1c(Br)cc(/C=C(\C#N)c2ccccc2)cc1Br	409048369	OEZKJNAJSGIEOJ-LZYBPNLTSA-N	435.159	6.311	50	40	IKGB	
Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	409237552	VGXVCDIMGPOYSF-MBTHVWNTSA-N	433.914	5.483	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2ccc(Br)cc2)cs1	4257329	WMZKATPCPBVGAX-SFQUDFHCSA-N	433.330	6.897	50	40	IKGB	
COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(C)sc3C)c21	6300273	VYRBSFRRVZWWCE-OAHLLOKOSA-N	447.347	5.289	50	40	IKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(C(C)C)c2ccccc12	8812972	ARQQRUQXXZREJR-FSJBWODESA-N	428.330	5.066	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cc2ccccc2o1	12560598	JWUHLEOVWJEWAQ-MUFRIFMGSA-N	439.902	6.455	50	40	IKGB	
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc(Cl)cc1	12629185	OIDOELUKRGJBSM-WPWMEQJKSA-N	435.911	5.054	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	16185100	QBPOYDWQALPVPA-ZSOIEALJSA-N	447.716	5.222	50	40	IKGB	
O=C(N/N=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1	32121688	VJLAMDCWCYIQER-ZRGSRPPYSA-N	447.344	5.309	50	40	IKGB	
CCc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	33406958	OYJZUTATCRJDOH-QRQIAZFYSA-N	441.531	5.592	50	40	IKGB	
C=CCOc1c(I)cc(/C=C(\C#N)c2ccccc2F)cc1OC	33701833	DPKSAZSMRPIPMW-NTEUORMPSA-N	435.236	5.068	50	40	IKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1	51331056	WXYFXUHROVISQS-KRWDZBQOSA-N	427.291	5.000	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	59435305	WVJILZGKTNATPF-LGJNPRDNSA-N	447.749	5.919	50	40	IKGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CSCc2ccccc2)cc1	59473529	DVEYOCHAQGHUHD-STBIYBPSSA-N	436.580	6.136	50	40	IKGB	
C=C(/C(C#N)=C/c1ccc(C)cc1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	110418623	HZTHIYNLDPMLIW-FYJGNVAPSA-N	434.370	7.012	50	40	IKGB	
N#C/C(=C\c1ccccc1Cl)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408720169	YMUDFEBNERSQSE-GZTJUZNOSA-N	438.745	7.109	50	40	IKGB	
COc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1	408735721	WWGUMWXVTWSODL-XDHOZWIPSA-N	448.906	5.482	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1O	408761944	IPXALQXZJJOFHX-WMZJFQQLSA-N	442.096	5.016	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc(F)c1	408805149	IWDLMVIVDYVXEP-WQZUMXOESA-N	444.506	5.588	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N3CCCC3)o2)cc1	408853499	OTSTVOHUIXSAHY-USHMODERSA-N	438.531	5.410	50	40	IKGB	
CCCNC(=O)N(NC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)cs1	3768096	VJWQKLOGSACZLQ-UHFFFAOYSA-N	443.960	5.435	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(Cl)s1	8454671	CZEQMSGLYCXJOU-VFCFBJKWSA-N	447.991	6.778	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3cc(OC)c(Cl)cc3OC)n2)cc1	9339769	NBTGMEMNARHFKM-VBKFSLOCSA-N	425.941	6.020	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1Cl	59921730	RQHFSGYIIIJGEN-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2[C@H](C)CC1(C)C	260572689	XWKYJKRNSANFQK-KXVDBBMMSA-N	431.502	5.970	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1Cl	408540164	NYOCLSNGZOINES-ONUIUJJFSA-N	435.395	6.426	50	40	IKGB	
C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	408579543	HNOSECJYXUJLBU-CXUHLZMHSA-N	431.127	5.596	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl	408587014	DNRSASUJJVTIPM-WYMPLXKRSA-N	445.306	5.002	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCC2)cc1	408678402	YMKBCGOQBUTGII-IWIPYMOSSA-N	438.325	5.073	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1C	408798192	VDUODWPKQBFBSR-WGOQTCKBSA-N	432.523	6.581	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC	408811144	LYBUXTZWBRVHES-QRVIBDJDSA-N	427.298	5.086	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1ccccc1F	408865323	BTIRWJKADAKWSM-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)o1	408986123	ZQUUOIWGBCJIKV-ZROIWOOFSA-N	437.839	5.371	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccccc1	409075759	XRULBCRFMNKZOR-XQNSMLJCSA-N	435.527	6.333	50	40	IKGB	
C[C@@H](Br)C(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F	2152101	OUHVWJARTAQYHU-MRVPVSSYSA-N	440.618	6.012	50	40	IKGB	
Cc1ccc(/C=C\C(=N/NC(=O)N/N=C(\C=C/c2ccc(C)cc2)C(C)C)C(C)C)cc1	31853443	KNNOUVKDRPRHOJ-DADAQFTJSA-N	430.596	6.353	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccccc1F	33547175	DAGYOOLJAJXFHU-PXNMLYILSA-N	443.261	6.684	50	40	IKGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(F)c1	408890631	WUMSOJKGLBOQCD-BRJLIKDPSA-N	431.250	5.116	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1	408992749	BMHQOEDHURXUKW-JFLMPSFJSA-N	437.971	5.574	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1CC#N	409041056	JAKJTVUAIFKJKE-UXHLAJHPSA-N	443.510	5.452	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc2Cl)cc1	409127673	QTDGDSGXMQURSW-LJQANCHMSA-N	441.318	5.131	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)[nH]c2c1	409393228	WCFQVPYKRBSMEO-LFVJCYFKSA-N	444.538	6.710	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1	9261674	FVMGLNVDCQUMEF-GZTJUZNOSA-N	449.894	5.000	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	10315692	VVKPVXAGAWUVCI-LQKURTRISA-N	445.950	5.435	50	40	IKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	12577634	FHTGNWAEAJNFCI-PJAVDKHJSA-N	437.326	6.217	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl	13586136	AHPQLLLWDRLSFX-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC	33664913	PBPCOBJPPGUERD-JZCUADNKSA-N	425.916	5.081	50	40	IKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1	59116956	FLKBSTRCPGBTHV-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F	59921528	WLPLHYQZXFPDAE-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(O)c(OC)c1	104166627	LSYWTAQGUIIHQF-QYQHSDTDSA-N	432.649	7.112	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccc(F)cc1	408542894	LOMSDVDMBWVHJR-UCQKPKSFSA-N	443.474	5.904	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1	408582412	NZHWSBCAMKHWGQ-FYJGNVAPSA-N	434.333	6.409	50	40	IKGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2c1	408791968	FWUXFQMQHLVLEZ-LDADJPATSA-N	434.923	6.145	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc(F)cc2)c1	408811154	LDTUWNMNXRDJAS-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1cc(C)cc(C)c1	408870575	WCEAXIGZULMNJZ-OEAKJJBVSA-N	444.962	6.492	50	40	IKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1	408985124	VOESBGNIQXDRAS-STZFKDTASA-N	445.950	6.166	50	40	IKGB	
N#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409037996	OHOGOQXLKCBKCO-LQKURTRISA-N	440.890	5.221	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409218625	WKYDUTPBSNRDOV-NTFVMDSBSA-N	448.482	5.515	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	409238674	NJXVUTFWXYSTFB-IQUBBUBFSA-N	446.550	6.512	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	1190113	HWPXKBIGFPDVCL-UYRXBGFRSA-N	426.545	5.452	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057467	OWPMZKIWPNSOAH-ZRDIBKRKSA-N	428.231	5.707	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)c1	28216050	PMFQDRVWFFNFBC-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	39381482	TXXHZZOUNCMZMS-AFUMVMLFSA-N	433.851	5.354	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl	48353606	QWRUNAPFWBWWLZ-MLPAPPSSSA-N	444.723	5.146	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	83307412	XDTVOEOBKIIVDW-ROTLSHHCSA-N	433.722	5.990	50	40	IKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1	90427174	OGNIDAVESURJKO-HMMYKYKNSA-N	425.513	6.117	50	40	IKGB	
N#C/C(=C\c1c[nH]nc1-c1cc2ccccc2o1)S(=O)(=O)c1cc(Cl)ccc1Cl	96401844	CXBHNTHWRCPMBG-VIZOYTHASA-N	444.299	5.468	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C	118930529	WDRGNJZPWVRVSN-PAMFVNDTSA-N	449.561	8.791	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F	223164667	RQHICJQRGJGOFG-ATVHPVEESA-N	443.856	6.312	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408549804	ZJVNIQIEJIBKNW-UQQQWYQISA-N	443.506	7.124	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2)cc1	408568781	KXGXQVKHCKGOIT-PDGQHHTCSA-N	426.451	5.092	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1cccc(Br)c1	408719383	LXXDMVFGESFLLX-NHDPSOOVSA-N	448.114	5.236	50	40	IKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1	408759007	WLIRQCIWMQFHOE-DICXZTSXSA-N	431.923	5.430	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c(C)c1	408956158	YXUDRCSLEGSFAI-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408983177	FVZKSVBQYUUBIX-QNGOZBTKSA-N	445.994	6.899	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C	409003269	ZARQLEKXGLIAQT-VFLNYLIXSA-N	442.485	5.292	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2F)c1C	33646413	OGFGCVMBFLZVSV-ZHZULCJRSA-N	443.478	5.006	50	40	IKGB	
CSc1[nH]c(C(C)(C)C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97982977	KOYADHYONOCXNS-UHFFFAOYSA-N	431.565	5.049	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl	408533305	RWNHQTUHRWKXEA-KVSWJAHQSA-N	448.876	5.329	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1C	408794345	IVILBKMXDIHXHB-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)cc1	408799759	KSOFKVNTUXJDSN-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(Cl)c(Cl)c1	408861048	LSRLBLCGQKSFOV-BRJLIKDPSA-N	427.356	5.947	50	40	IKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cn(Cc3cccc(C)c3)c3ccccc23)c1	408996493	PPSZVDCJWZTXHF-MWLSYYOVSA-N	439.559	5.398	50	40	IKGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Cl	409009564	GFCLLMRSKZYESA-QRQIAZFYSA-N	443.934	5.635	50	40	IKGB	
N#C[C@@H](C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	409205203	GLPZCYMSPIXXKF-JSPCPOQUSA-N	426.907	5.100	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1	409251841	QKQQIRKULAVEKH-DICXZTSXSA-N	440.902	5.150	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)cc1Cl	409368487	YHQNNVASACJBEN-YBEGLDIGSA-N	445.687	6.577	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1c(Cl)cccc1Cl	1098475	YNKQNAGGSNICDB-JLHYYAGUSA-N	428.231	5.707	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl	1453265	STQPPSUJKSGRRB-RIYZIHGNSA-N	442.258	6.016	50	40	IKGB	
CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCCCC1	2067510	AIVPWARKSDFLRL-LJAQVGFWSA-N	430.872	5.251	50	40	IKGB	
CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	17270528	TXEPOCYMHXBPTO-QGOAFFKASA-N	447.516	5.472	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	59117126	JMBFQYGBFVATIX-LDADJPATSA-N	429.882	6.028	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	59201279	VIGGIYQOSMPNGH-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1	59335172	YQEVMZFWAFWUSJ-JYRVWZFOSA-N	442.258	6.016	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1	59335533	ZCNDDNLIQQBEOK-HAHDFKILSA-N	430.511	5.724	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1	59535769	QVRLQHWUAIQJEP-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc(O)c3cc(Br)ccc3n2)c(C)n1CC(C)C	96305465	GONWMDWYGFTSHF-LZYBPNLTSA-N	425.330	5.236	50	40	IKGB	
CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(N)cc3)[nH]n2)cc1	100168014	BFCOPCZJSPHRPX-TURZUDJPSA-N	447.583	5.552	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1	408584075	ZWOALKFNXJUOSB-RCCKNPSSSA-N	428.488	5.176	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408744921	IGLHEQCUFXAAOQ-ZROIWOOFSA-N	447.716	5.222	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1C	408760040	QLTYSNXKFCSACY-RCCKNPSSSA-N	448.526	5.443	50	40	IKGB	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792136	INWLBCWWWQFOHW-LDADJPATSA-N	449.304	5.279	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cccc(C)c2)c1	408809826	RVSZPKKVCLMLNY-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1Cl	408981360	APDBGYIDNWGKHM-GRSHGNNSSA-N	438.358	6.563	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1	409190644	UIHXGAIOJMVQPK-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)c(C)c1	409256885	QMWURRBNQZFWAD-HYARGMPZSA-N	439.515	5.175	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)[nH]c2c1	409391980	MGENGMHLHRJURU-NDENLUEZSA-N	425.488	5.532	50	40	IKGB	
Cc1cc(Br)ccc1OCC(=O)N/N=C(/C=C/c1ccccc1)c1ccccc1	1803502	JTYRBVNEKSITFK-DHGXPFHFSA-N	449.348	5.370	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)s3)c3ccccc3n2)cc1	8454699	QZHLMWKESCCEPG-JFLMPSFJSA-N	449.963	6.169	50	40	IKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1	8692085	JIUOFWOOWFTSGM-KABFPDOCSA-N	437.543	5.676	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	8842872	GFBDEOLNENPGID-QJOMJCCJSA-N	435.527	6.192	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cc(O)ccc1O	13321551	NDRWCIKTDUPDLN-SGWCAAJKSA-N	445.906	5.511	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1-n1cccc1	13922696	OIKHTEHMBSBYCG-WPWMEQJKSA-N	429.907	5.474	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OC	16439604	RSXUZNGMXFLLOQ-KPKJPENVSA-N	425.699	5.600	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC	31904634	MSULFRYAPMNNOT-NSIKDUERSA-N	447.343	6.207	50	40	IKGB	
O=C(CCCC[C@H]1CCSS1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1	50966307	ZUFQGXBVISCTIW-GHTZIAJQSA-N	425.623	5.677	50	40	IKGB	biogenic
Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)[nH]c2cc1C	408542418	IRNPYEZZRKYAMQ-VXLYETTFSA-N	448.353	7.130	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1	408582302	MUPKQZRRASNEJI-DEDYPNTBSA-N	432.907	5.739	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	408599536	VVXMHYULLKQOCJ-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	408745417	RXWAOZOJNSNVAK-RVDMUPIBSA-N	436.851	5.243	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1c(C)ccc2ccccc12	408805004	IJEKXJNTZICKHS-XQNSMLJCSA-N	448.522	6.282	50	40	IKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)c2ccccc2)c1Cl	408819187	ZZKDHDBDWWSXQQ-RVDMUPIBSA-N	427.287	6.571	50	40	IKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	408924741	OBBKLORHJZBONO-SFQUDFHCSA-N	437.282	5.758	50	40	IKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1	409190975	XLDWDOSTWHHQLE-BRJLIKDPSA-N	445.302	5.583	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccccc1Sc1ccc(Cl)cc1	409216850	MECLYZYHOVZNMF-CFRMEGHHSA-N	447.412	6.387	50	40	IKGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1	409227216	YBUBBLWROQTCPN-ZTXOKGAVSA-N	448.906	5.040	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409361019	PSLXQMKHTZAQLD-KKMKTNMSSA-N	446.309	5.274	50	40	IKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	639227	CUVBREBJVAQBNZ-HNNXBMFYSA-N	446.359	5.012	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	948702	MNJGLBHPNCAJRG-JLHYYAGUSA-N	441.270	5.586	50	40	IKGB	
CCCCCCCCOc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1	1803646	HIPIVHZRWYDTPE-QHCPKHFHSA-N	435.593	5.726	50	40	IKGB	
CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1	2535317	QBZWYEIWBFQKEP-RRIBNTJFSA-N	434.967	5.649	50	40	IKGB	
Cc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC(=O)CCl)n2)cc1	8754979	NWLASSOLXVWRSW-UHFFFAOYSA-N	426.904	5.288	50	40	IKGB	
Cc1cc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc2cc1Cl	9059276	KBSJTHXGFPMBDF-NRFANRHFSA-N	432.310	6.221	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	10475933	CIEAAEZCDBJRTB-JFLMPSFJSA-N	440.902	5.150	50	40	IKGB	
CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	17113501	SEVZYGCOSHBFFF-GZTJUZNOSA-N	433.489	5.081	50	40	IKGB	
Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)c1	26842631	KDHHXGWMKOQOIN-NBVRZTHBSA-N	433.471	5.044	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3ccccc3)Oc3ccc4ccccc4c32)cc1	36612752	KYFXTBQDBIYKEG-RUZDIDTESA-N	432.479	5.538	50	40	IKGB	
O=C(N/C(=C/S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102618770	DIWINJOYVUPGTM-QLYXXIJNSA-O	440.528	5.139	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2ccccc2c1	408550952	KXCTWZJKZBIFIY-ITYLOYPMSA-N	445.949	8.290	50	40	IKGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408719633	IJAPBKBJSROVAJ-WRGIWNTCSA-N	431.561	5.101	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl	408863677	OLARBNZHOJOAMA-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(Cc2cccc(F)c2)c(OC)c1	408873181	ODRGGHHMWBJHHZ-RGVLZGJSSA-N	448.925	6.187	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1	408888445	ZWWKZRDPXIRZJJ-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C	408924885	PGJRDBKRMWZCGA-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1cccc(Br)c1	409014168	PENXQFRVVRXMJG-PCLIKHOPSA-N	432.321	5.086	50	40	IKGB	
C#CCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cccc(C)c21	409034007	MPGRRBARSOCOLK-JVWAILMASA-N	425.557	5.287	50	40	IKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1	8763831	OWEDZHQTRBSGIO-RCCKNPSSSA-N	431.561	5.767	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl	29763377	RLYLUIMLUCLDMV-ROTLSHHCSA-N	433.722	5.990	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccccc1Cl	59117306	FOQXTUIKTSZXAE-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	59272291	OICLYEQIUSRPDC-ZHZULCJRSA-N	446.478	5.358	50	40	IKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	100175502	CJEOMUGDAHZTAV-QXFMCIIBSA-N	431.363	5.849	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2c1	109094874	MTNZMMNNCZOFGX-DICXZTSXSA-N	436.552	5.896	50	40	IKGB	
Cc1cccc2c(OCc3ccccc3)cc3c(c12)[C@H](CCl)CN3C(=O)OC(C)(C)C	201389424	RVOVHCHSWKXMQF-LJQANCHMSA-N	437.967	6.805	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	408579536	HLMIWMZRYMKPTO-KGENOOAVSA-N	446.934	6.129	50	40	IKGB	
O=C(N/N=C\c1ccccc1Sc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1	408678413	YTXNBXLZJHPEAA-ONUIUJJFSA-N	435.980	5.855	50	40	IKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1	408745930	AZBVPPUGJOKTLR-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408753216	FKHXYLWTEIKTAV-AUEPDCJTSA-N	445.331	5.372	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1cc(C)cc(C)c1	408866958	IOTQFXXZYGVJQD-WSDLNYQXSA-N	441.487	5.357	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Cc2ccccc2Cl)c1	408872776	IPTPMVKHVHXDCF-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1cccc(F)c1	408880036	IIWZMUOZIMZZOR-CIAFOILYSA-N	448.925	6.323	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1	409258466	VBTQFGSJDGWACG-VYYCAZPPSA-N	449.938	5.047	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc4c(cc3C(C)=O)OCO4)n2)cc1	1242947	QMGYJAWUHNFRGQ-LFIBNONCSA-N	433.489	5.117	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3145063	GJEWLJSULOEXQM-JVWAILMASA-N	449.938	5.096	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)cc1	3765050	HENXSJDXUCDSAO-JWGURIENSA-N	438.914	6.618	50	40	IKGB	
Cc1ccccc1/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1	12463661	WFLHJXIMUVPMGA-FBHDLOMBSA-N	449.026	5.035	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)o2)c([N+](=O)[O-])c1	16158140	WGBVPMHNOQIBQK-GHRIWEEISA-N	439.427	5.562	50	40	IKGB	
Cc1cc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c(C)cc1Cl	71789918	UQFWYIQBXGFENR-DVWBAYGPSA-N	436.846	6.085	50	40	IKGB	
CC1(C)CC2=NC(SCc3ccccc3Cl)=C(C#N)[C@@H](c3cccs3)C2=C(O)C1	102881868	MUURKRIIRFCEQF-FQEVSTJZSA-N	441.021	7.240	50	40	IKGB	
O=C(Cl)c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	217710751	NHGUZJMILTVDGT-UHFFFAOYSA-N	441.479	5.556	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408570557	WUYIYXXSUHJASV-HMAPJEAMSA-N	442.497	6.922	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1	408753520	NCOMHIYNEIGCOU-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408872887	KRGHTEFXYGEOLY-UDWIEESQSA-N	432.907	5.863	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)c1C	408878101	ZSEPQKHPRXINIP-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1	408883082	TWLDALQDEZACFO-CJLVFECKSA-N	444.918	5.653	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	408884209	XZRNJTQSLQUDQL-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
CCOc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O	408936886	GHSISIUFTDFNKF-VEILYXNESA-N	439.515	5.321	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1	408983899	OBBSMDZGWUVXIX-KQWNVCNZSA-N	445.994	6.944	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1	409053547	ZJNPXKJHWTZAML-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	409215299	XAKKSHIOEWBYID-DHRITJCHSA-N	428.916	5.301	50	40	IKGB	
CC(C)c1ccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)cc1	2763549	SKJQQSQYFWCDMP-UHFFFAOYSA-N	430.552	5.302	50	40	IKGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(C2CCCCC2)cc1	12565729	CGUKKLRGYKAHIC-TWKHWXDSSA-N	444.550	6.606	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	39884667	IQOVBFOKNQVYJI-DTQAZKPQSA-N	437.293	5.653	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	58900698	MZLIMMQXRGGCMY-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	59447433	WPBVZNBEEIAIRG-WPWMEQJKSA-N	439.471	5.020	50	40	IKGB	
CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1cccc2ccccc12	59535934	IKCFMCPXWQMBKL-ZMOGYAJESA-N	441.325	5.050	50	40	IKGB	
O=P(OCCCl)(OCCCl)[C@H](Nc1cccc2ccccc12)c1ccccc1	104274799	ODGLDLVYCGYQJX-NRFANRHFSA-N	438.291	6.654	50	40	IKGB	
ClC1=C(Cl)[C@]2(Cl)[C@H]([C@H]1Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)[C@H]1Cl	104354455	BCYGJIZALPHWRM-NLULGUIVSA-N	442.211	6.169	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C)c(C)c1	408800667	OHXPEEJEBCYBOH-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CC(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(C(C)C)c1O	408854877	APVBYWDKEUMVGD-CXUHLZMHSA-N	427.342	5.947	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1	408871769	XFBNXXLOUSVQHV-CJLVFECKSA-N	444.918	5.653	50	40	IKGB	
CC(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1	409007860	ZXLCGXDHSAGACI-VULFUBBASA-N	446.378	5.119	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409069297	CLCXRTROVUTBLX-QGOAFFKASA-N	425.893	5.180	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)NN=C1CCN(Cc2ccccc2)CC1	409348197	RMXBQACMBUOGMQ-UHFFFAOYSA-N	441.600	5.258	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	2353728	HSFMUVCPTLSYQY-HVBJHMBASA-N	439.540	5.060	50	40	IKGB	
O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)cc2)cc2ccccc12	8721992	CJTHMPISHOHMFC-CVKSISIWSA-N	430.305	5.428	50	40	IKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1	8934248	DXRNFIVTELFJLN-QSFXBCCZSA-N	435.369	5.315	50	40	IKGB	
O=C(N/N=C/c1ccc(N2CCCCC2)s1)c1cc(-c2cccnc2)nc2ccccc12	9704347	UHZOEPFTCJYYAY-WPWMEQJKSA-N	441.560	5.113	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)cc1	16157793	QZJNXKKKYCWAKT-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1	20764335	NFJBXWRBBFFUES-ZVHZXABRSA-N	440.341	5.019	50	40	IKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1	59515264	JVGDNXPAUUBFDI-TURZUDJPSA-N	435.483	5.495	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1Oc1ccccc1	98053635	PSUHGUUYKYGYCG-QOCHGBHMSA-N	432.479	6.817	50	40	IKGB	
N#CC(C#N)=C1C=C(NC2CCCCC2)C=C2[C@H]1N[C@@]13CCCC[C@H]1CC1=C(CCCC1)N23	100672633	WUJKFZSNKZMUFF-YNOBPPCASA-N	441.623	5.426	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1C	408544502	WPCZBPVMSLSJTK-PDGQHHTCSA-N	439.471	5.143	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1F	408544758	XDYNJMGSGGXFDQ-GRSHGNNSSA-N	437.854	5.829	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC	408787522	BFJHSRXALAVKAV-NTUHNPAUSA-N	439.726	5.990	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408805518	LAEDRSYJKDARJV-GXDHUFHOSA-N	427.287	6.116	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl	408827115	KGNCUXIKECSLEY-RIYZIHGNSA-N	435.307	5.345	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl	408884036	XPIXGWLFXPZMPE-SFQUDFHCSA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc2ccccc12	408885043	ZSSMEMFOAKIIIU-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Br	408897074	QLYTYJXVDRVLFX-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1cccc(I)c1	408927157	ZUHPBMLNSIGTEQ-YRNVUSSQSA-N	443.071	5.144	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	408982746	FCRXHTHDCDLHIM-HMAPJEAMSA-N	431.967	6.725	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cccc(F)c1	409394291	YDLCCHJDNVQIAV-IDUWFGFVSA-N	443.261	6.684	50	40	IKGB	
Cc1cc(I)ccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	948321	JGDWBIMBMBTNNS-GZTJUZNOSA-N	430.289	5.269	50	40	IKGB	
Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C	1651143	CIOOHZQGACKSCX-UHFFFAOYSA-N	426.545	5.150	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2272104	MODLUSZQMWHWRZ-DHRITJCHSA-N	433.722	5.033	50	40	IKGB	
COc1ccc([C@@H](Br)[C@@H](Br)C(=O)c2ccc3ccccc3c2)cc1	2555908	NPXXZGDLGIEBSC-RTBURBONSA-N	448.154	5.931	50	40	IKGB	
CCc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1	6821711	VLKKZZNKTSLHJQ-RVDMUPIBSA-N	440.322	6.107	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c(C)c1	20194789	SKEUIPMGCPFLPV-AFUMVMLFSA-N	438.369	5.166	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)cc1	26123458	LIXMWTBBAXNYFK-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1	27345699	KAVUZOKCHIYQGD-PTGBLXJZSA-N	427.500	5.957	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(C)c1	59432957	AWFKUVMHAMHICL-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	408745885	WDQHHBWIKUOCJW-MOSHPQCFSA-N	433.939	6.000	50	40	IKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2c1	408772240	NBVYDFWQNBGLOM-GHRIWEEISA-N	427.891	6.043	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1	408790698	XUAANQQZIFBOKP-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408812932	XQIFECGXSVZLRR-CJLVFECKSA-N	442.515	5.609	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1C	409007373	OGGHJJCEPMTZFN-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1O	409036621	RZEOGRKLKQJYRK-DICXZTSXSA-N	445.906	5.423	50	40	IKGB	
O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12	2760907	PKZUAUGQQKYTDO-UVHMKAGCSA-N	438.289	6.112	50	40	IKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1	20528777	JFMFPEDGIFBDTR-JRVGGCGHSA-N	438.358	5.474	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1	35352893	ADUFYBLSMSTPRD-ZDLGFXPLSA-N	425.271	6.545	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC	408583182	SGCCWXCTKFETPN-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccco3)cc2-c2ccc(-c3ccccc3)cc2)c1	408724181	HDKNIEKTPPDYDT-VUTHCHCSSA-N	446.510	5.872	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	408793960	GTOSSHBVJBPUQZ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1	408901052	ZQDOBJWXWQOFIW-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	409130746	WETUVEMRLPPHCK-GTPWMTBTSA-N	438.980	5.858	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409180751	ZTMMUAJOGHTFFI-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)[C@H](O)c1ccccc1	409265015	MEQRROXKZCKTGU-WJVWQPRSSA-N	433.511	5.027	50	40	IKGB	
COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl	409369056	ZMPHXHZIURTPAU-HXUWFJFHSA-N	441.984	5.270	50	40	IKGB	
CNC(=O)Oc1ccc(Cl)cc1SSc1cc(Cl)ccc1OC(=O)NC	1671469	ADJOLOPETTTWEX-UHFFFAOYSA-N	433.338	5.229	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	1915626	UNJLXPTUFUZQPF-LPYMAVHISA-N	444.339	5.911	50	40	IKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(Br)cc1	3170108	UFMYWHSZTZRDTG-UHFFFAOYSA-N	434.362	6.664	50	40	IKGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3cc(-c4cccnc4)nc4ccccc34)ccc2c1	8687689	SOXLRTQJSXQUBN-FDAWAROLSA-N	446.510	5.613	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	9201228	IGMOZBLJQFQCSI-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1	19647780	LWZQOKFUYFADJF-UHFFFAOYSA-N	448.570	5.592	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c(C)c1	28216471	HVVLLVRZOQTJFZ-FOGHPNEFSA-N	440.012	5.995	50	40	IKGB	
CCCCCCCCCC[C@@H](Br)C(=O)c1cc(C)cc(Br)c1O	100931364	OYZVODVGESQYGC-MRXNPFEDSA-N	448.239	6.940	50	40	IKGB	
ClCN(CCl)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	101380441	ZHGZCNGGFGAAFV-LSFURLLWSA-N	425.772	6.109	50	40	IKGB	
CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1	110500060	CJYMDPCRSWLYSQ-UHFFFAOYSA-N	427.468	5.793	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118924135	VOFZBWVFCCOKSK-TXBVMHOQSA-N	441.704	7.052	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C(C)C	223591944	HHOCYXYHCYXVPL-JYSLEBDSSA-N	442.003	5.678	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	408567512	OBVMITKBXHHIAY-VULFUBBASA-N	429.347	6.244	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c3ccccc23)cc1	408769417	UGBGYEHYBXYKGO-MOHJPFBDSA-N	432.523	6.527	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)[nH]c2cc1C	408780745	JLKWJMBTRGSWAA-UNOMPAQXSA-N	445.364	6.414	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408794034	HFJGWCKASMMUHP-QGOAFFKASA-N	433.851	5.373	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1	408859103	WMHYUKBPPDBTOM-UVHMKAGCSA-N	441.358	6.262	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(F)c1	408964192	BUIAZVSLXYDRMX-XODNFHPESA-N	430.870	5.118	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	1453943	IBPAVTCBXHMEFM-KPKJPENVSA-N	425.204	5.022	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC#N)CC[C@]4(C)[C@H]3CC[C@@]21C	4683771	PFFFOIVMEXOESX-PXBBAZSNSA-N	427.742	8.611	50	40	IKGB	
Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1	8733500	GCQIGWOXCOMFLU-RIYZIHGNSA-N	449.259	6.646	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(Cl)cc1	12559701	MUGWSGVKVVBORM-CPNJWEJPSA-N	434.927	5.310	50	40	IKGB	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1cccc(C(F)(F)F)c1	16750576	HRTMTNLHWPVTJG-GHRIWEEISA-N	432.405	5.566	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OCC	17286364	NPAMHLCANMSDDR-VCHYOVAHSA-N	434.517	5.790	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1	59116756	JOOARVCAYFKPGT-FOWTUZBSSA-N	437.282	5.758	50	40	IKGB	
N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)Nc1cccc(Cl)c1Cl	59335984	IMNKZSSGASKGMD-RUDMXATFSA-N	446.515	5.661	50	40	IKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102926354	IGIGQBBIGXUBDW-QFIPXVFZSA-N	433.533	5.538	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)[C@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)cc1	107901203	MCTCGGSPWMSDDI-OBXCRBDJSA-N	427.548	5.842	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1F	408555576	YBBVATSPLDJYCI-LDADJPATSA-N	444.535	5.591	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccco2)cc1-c1ccc(-c2ccccc2)cc1	408724212	HZMXHTPUZAWVPU-VUTHCHCSSA-N	446.510	5.872	50	40	IKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(OC)c1	408763877	PNGNZJVAUILXLE-JVWAILMASA-N	440.584	5.087	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc(C)c1	408788848	MMARINRTZZGLHX-KGENOOAVSA-N	428.488	5.224	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1	408890015	MOKSHIAAIVJALE-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)cc1	409188147	BKYDFTKUXRDBRO-OVVQPSECSA-N	426.520	5.047	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1	409264569	MHEVJAJGAMQNSG-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CCc1ccc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)s1	3619676	TXOOJERIRCUBLR-HXUWFJFHSA-N	439.531	5.530	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1cccc(C)c1	4196592	IQTLAGULGIZHDI-CJLVFECKSA-N	444.487	5.824	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)ccc1O	6170336	QGQDXDRDNYPATL-JVWAILMASA-N	432.520	5.041	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc1	9244281	LIMQCXJVVKPASX-XMMPIXPASA-N	448.526	5.751	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	9311554	FAJUZTNJSZPXQN-RIYZIHGNSA-N	441.270	5.806	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1cc(O)ccc1O	13321409	SILMWERAKIDRFB-OGLMXYFKSA-N	425.488	5.084	50	40	IKGB	
FC(F)(F)c1cccc(O[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c1	16158852	SEUPHXGFZPGUQE-PIKADFDJSA-N	426.276	5.121	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	36093509	NPRQIRKVDPPONX-RPPGKUMJSA-N	445.346	6.214	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1	97990531	MGSDZSMRLZJJMN-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	408811974	AXEHDZUMNMPNRS-KQWNVCNZSA-N	435.527	5.230	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)cc(C)c1OCc1ccc(Br)cc1	408857431	UZVKVTGKZHPRNG-AFUMVMLFSA-N	437.337	5.409	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)NCCc1c[nH]c2ccccc12	408950315	JEBWJOPFYVJQGS-JCMHNJIXSA-N	439.490	5.152	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409313037	BAOVPOFKTQFLBF-OAHLLOKOSA-N	435.401	5.987	50	40	IKGB	
N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@H]1c1cccc(Br)c1	409313828	JDCJLYVKNLVUCG-FQEVSTJZSA-N	449.373	5.874	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OC(C)C)c(OC)c3)[nH]c2c1	409392007	MTJNDMMNVQGBJW-AUWJEWJLSA-N	442.313	5.194	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	1780813	FRTOIKRRGVEMPW-UDWIEESQSA-N	444.339	5.911	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693289	WUWKTLOBKGAWBK-QGZVFWFLSA-N	442.009	5.590	50	40	IKGB	
Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	20368412	NLAHCBUXKDOUKS-STBIYBPSSA-N	431.499	5.364	50	40	IKGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	34849325	DZAXMMYZKRYNRQ-PXNMLYILSA-N	428.344	5.895	50	40	IKGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	59473104	FBEDFWAHMYPQTQ-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
C[n+]1c(-c2ccccc2)cc(P(=O)(c2ccccc2)c2ccccc2)cc1-c1ccccc1	68564781	GLFDISDPQSNUML-UHFFFAOYSA-N	446.510	5.485	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br	408792451	JYUKWHHYQBSRFP-MHWRWJLKSA-N	429.314	5.101	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OC(C)C	408816667	RYZDCFSMGQHBQP-RIYZIHGNSA-N	449.732	5.444	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1	408948945	HLUOQWZKBMIPGH-PDGQHHTCSA-N	429.907	5.656	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)oc12	409095463	HUTLWDUMACOLOP-AFUMVMLFSA-N	436.920	6.010	50	40	IKGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c2ccccc2n1Cc1ccccc1Cl	409364575	OBFUCGMDHUNXTP-IJRGLNRLSA-N	433.983	5.928	50	40	IKGB	
CCc1c(C(=O)Nc2cccc(/C(C)=N/NC(=O)COc3ccccc3C)c2)csc1C	20191684	OVWVOOCQRNBBPR-WPWMEQJKSA-N	449.576	5.099	50	40	IKGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)OCC)cc2)cc1	23017427	WUUSVMIJBQVPIU-ZBJSNUHESA-N	437.536	5.574	50	40	IKGB	
COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OCc1cccc2ccccc12	36610888	WLMWSFYZUAJRTA-CJLVFECKSA-N	448.547	7.101	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	58871269	QCKLZEFFAWQVJA-CVKSISIWSA-N	427.331	5.655	50	40	IKGB	
Cc1cccc2c1-c1ccccc1[C@@H](Br)[C@H](Br)c1ccccc1-2	68565038	SOUDCZZCCSUUMO-NHCUHLMSSA-N	428.167	7.215	50	40	IKGB	biogenic
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccc(Cl)cc1Cl	408580341	OPVZQXKBDYEKLG-GZTJUZNOSA-N	437.757	7.714	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC	408582072	LOKOKKAWSOSPNV-XDHOZWIPSA-N	448.906	5.439	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1	408793213	NWTXKRHILYMWFL-CIAFOILYSA-N	427.891	5.645	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCc1ccc2c(c1)OCO2	409207203	QJTQBLPSPXDCCR-NTEUORMPSA-N	441.270	5.205	50	40	IKGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OC	409318919	YTPPEPOKIUKCRZ-WGARJPEWSA-N	438.911	5.009	50	40	IKGB	
COc1ccccc1N(C(=O)CCCl)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	2191112	SJCKHACEUVUBDZ-QHCPKHFHSA-N	434.923	5.501	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1C(F)(F)F	2807653	PCTYIPDXTHWUCO-NBVRZTHBSA-N	436.389	5.470	50	40	IKGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c(C)cc1Br	3209784	ORSBCIZGNIKOMY-NUGSKGIGSA-N	445.304	5.327	50	40	IKGB	
CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	6480808	XATYYJZDSVMDFB-AQTBWJFISA-N	439.378	6.816	50	40	IKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccccc3Cl)CC(=O)N2C1	9693156	TXLSQKNWOCZGOY-HNNXBMFYSA-N	430.360	5.521	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)cc1C	13174517	OOBUGYQIYPIGKN-QFIPXVFZSA-N	449.601	5.166	50	40	IKGB	
Cc1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2)cc1C	13894457	VEQSPWHCZDVIGW-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	16412057	HTBQSDGMCSNCQJ-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)cc1	20764982	OOEFNEFAZBAQKI-UXHLAJHPSA-N	449.510	5.453	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1	59225021	JNGCONYRUUNABC-LPYMAVHISA-N	444.506	5.966	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC	408578867	BGOUUQGJXJLSDA-RGVLZGJSSA-N	435.907	6.009	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(N2CCCC2)cc1	408677018	OOFUSBCWRFITAF-JFLMPSFJSA-N	427.426	5.330	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)cc1	408724165	GUULXTFKXNHQNM-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc2ccccc12	408743544	GOLHHTAGLFZTEY-JLPGSUDCSA-N	448.522	6.282	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C)cc1	408779310	UXILPNJADUBVOH-STZFKDTASA-N	430.479	5.658	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1	408793976	HJDBPCHMAHNGLA-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)c1C	408804688	GPANNJRWLVIDPL-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408905396	YJUJGEPDOIYZJI-MXAYSNPKSA-N	449.850	5.337	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(C(C)(C)C)cc1	408966432	LPRKUPHBSDKAQG-NDZAJKAJSA-N	437.587	6.238	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	409322199	LAFZCYQDISIGGI-HNNXBMFYSA-N	446.359	5.012	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl	409364059	MYMJGLYBQQPQPI-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
Oc1c(Cl)cc(/N=C/c2ccc(N(CCCCl)CCCCl)cc2)cc1Cl	1872989	SZTHLUAPCUBBEH-ZMOGYAJESA-N	434.194	6.514	50	40	IKGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	3085915	WJYNSGDYFORWFG-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	3388426	XMYURCIUQXMRIX-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	23218319	IFIQDBOBDUQLKF-GZTJUZNOSA-N	432.332	5.134	50	40	IKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C(/CC(=O)c1ccccc1)c1ccccc1	100006541	VYZSCPRSCWGYJA-QOMWVZHYSA-N	441.314	5.166	50	40	IKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102859730	BVEFOGYSOVHLRZ-QFIPXVFZSA-N	447.516	5.123	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(SC/C(O)=N/c3cccc(C)c3C)N=C3CCCC(O)=C32)o1	103698525	JAHRGLBQLZHPGN-QHCPKHFHSA-N	447.560	6.496	50	40	IKGB	
N#C[C@@]1([C@@H](c2cccc3ccccc23)c2cccc3ccc4ccccc4c23)CC(=O)OC1=O	104044665	AZDGGPQPYIOIOZ-MFMCTBQISA-N	441.486	6.262	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cc2cc([N+](=O)[O-])ccc2s1	108166007	RAAKVTDLBANHNY-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)cc1	408726026	RKYBDONXMYBJGG-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)c1	408890453	UCAWQCLSCYAIJJ-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1cccc2ccccc12	409369361	BMAAFBAVTLKARS-QQXSKIMKSA-N	430.507	6.753	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc2ccccc2c1	409391127	HLQWBUUZILKJAY-FMCGGJTJSA-N	443.905	7.284	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	1310433	UUEDHKQXPMLPBS-SRZZPIQSSA-N	449.470	5.182	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1	1867735	RCGPOAJTYQAMGE-WLEBTQASSA-N	449.885	6.601	50	40	IKGB	
Cc1cccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1C	1867783	LQLMVGYDBPZXKK-WJDWOHSUSA-N	444.472	5.418	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c1C	8842933	ZXPWRNVBIUPHEA-MUXKCCDJSA-N	427.470	5.423	50	40	IKGB	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2c3ccccc3cc3ccccc23)cc1	16311710	PYISURVWNUVYLA-HHHXNRCGSA-N	442.522	6.014	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	28216487	UAEQXXSEFSLEOO-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	33657865	IHCMMWALIWIQRN-QGOAFFKASA-N	442.943	5.949	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	59334129	ATPVRMFPBRVRTP-GRSHGNNSSA-N	425.315	5.721	50	40	IKGB	
CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)o1	98002718	MCPDHIWOYVDQDQ-HZHRSRAPSA-N	445.610	6.250	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2[C@H](C)CC1(C)C	208330176	PRDYGBDIGDYJAU-KXVDBBMMSA-N	431.502	5.890	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1	209406110	ULKITOHDGDZVSP-YDZHTSKRSA-N	444.361	8.098	50	40	IKGB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1c2ccccc2cc2ccccc12	408726227	KEVPCIDZMJLBMU-AFUMVMLFSA-N	429.501	5.285	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1	408792218	JQUIKGGRNVOYSM-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OCc1ccccc1	408897577	YMIWCROAFHISDI-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1Cl	408990632	XRYCKNAIFZZYTE-MOSHPQCFSA-N	432.955	5.668	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)cc2c1	409188074	WSNUVXBLENYQRG-CFRMEGHHSA-N	446.488	5.216	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	4047725	DHVHTPJUFLSTBV-LTGZKZEYSA-N	427.548	5.946	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc(C#N)cc1	5788326	FNUZFFYRCNTKOK-ZTKZIYFRSA-N	425.532	5.723	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1	12659625	UBIAPDVSCBYDEQ-CAPFRKAQSA-N	431.499	5.499	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl	12956904	RLYLUIMLUCLDMV-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1	15938836	KYTTXTSXNSKIGK-WPWMEQJKSA-N	447.406	6.741	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1	20240583	YBKZWIGIKHLITO-ZTKZIYFRSA-N	425.576	5.214	50	40	IKGB	
CC1=C(C#N)C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(C#N)=C(C)N1	25426376	CWRNHMABHSYMSO-UHFFFAOYSA-N	447.538	6.127	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1sc2c(c1C#N)CCCC2	408565824	AWKKYNRUCZVUGW-YVLHZVERSA-N	441.535	5.986	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OC(C)C	408567928	GXUCIUYRWPIPEH-MLPAPPSSSA-N	430.277	5.324	50	40	IKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cccc(Cl)c2)c1	408709090	XIGXEUQRRCZAJR-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1Cl	408724593	FVQGTFFJMJKMDU-UYRXBGFRSA-N	448.906	5.569	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)c1	408791946	FOZNUAHEMWTEGW-YZSQISJMSA-N	432.523	6.581	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408878791	BFMJRJZLYKVMAU-RGVLZGJSSA-N	448.925	6.241	50	40	IKGB	
N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccc(Cl)cc1	408898740	MTEDHXXVNFIDKU-LICLKQGHSA-N	444.834	5.458	50	40	IKGB	
Cc1cccc2c(/C=N/NC(=O)CSc3cccc4ccccc34)c(C)n(C(C)C)c12	409039609	RLTUYYRHHWARMU-JFLMPSFJSA-N	429.589	6.235	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)o2)c(Br)c1	409251757	QNVZUWHJIDVKDW-MFKUBSTISA-N	448.320	5.572	50	40	IKGB	
CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1	409371103	GBXOHGPAPZSTDX-NRFANRHFSA-N	439.556	5.146	50	40	IKGB	
O=C(NN(C(=O)c1ccccc1Cl)C(=O)c1ccccc1Cl)c1ccccc1Cl	601014380	GDHNVWVURLSYJM-UHFFFAOYSA-N	447.705	5.274	50	40	IKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2C2CCCCC2)cc1	1454533	QIAMUMZVJQNTKE-OEAKJJBVSA-N	439.610	5.063	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1	8448541	SRJMWZYCZZCPOM-QFIPXVFZSA-N	434.923	5.370	50	40	IKGB	
COc1cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(OC)c1OC	13129631	WMXZWZBESCLLFP-BHGWPJFGSA-N	449.290	5.043	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3C/C(=N\NC(N)=O)[C@]12C	13409277	OKIFINTYHZKNNY-NATJRAMGSA-N	445.648	5.259	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	28216429	SWUFFZZVVNGJRC-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4	38139717	VXOZCESVZIRHCJ-GQPCYGFSSA-N	428.657	6.474	50	40	IKGB	biogenic,in-vitro
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408552203	IAIPGRGYYMQDHS-RIYZIHGNSA-N	441.940	5.105	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	408590543	PNOAUWIUTCGFGE-DHRITJCHSA-N	430.335	5.102	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc2ccccc2c1	408734142	DMGMMAMFGQFFTL-LPYMAVHISA-N	425.919	6.446	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1	408764526	XGLJKYPJEYHLPJ-GZTJUZNOSA-N	437.282	5.758	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1Cc1ccccc1Cl	408870843	XRMZISXFUWHIGD-KGENOOAVSA-N	446.934	5.884	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	408891792	VKUPTQNRJLRNNF-PXLXIMEGSA-N	427.504	5.125	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(Cl)c(Cl)c1	408963815	AXTOALHIZOQIIH-RAWMCFOBSA-N	429.282	5.176	50	40	IKGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)o2)c1	408983013	JRDHBHBBWMEORX-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(Br)c2)c1	409008861	NIEGXNVVILVJQX-VBKFSLOCSA-N	436.309	5.184	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1Cl	409146591	URKPBXHQAXHBSA-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1	3082707	MSZCAAOSSUTYEA-VUTHCHCSSA-N	434.495	5.379	50	40	IKGB	
C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	16701327	NHJCPAWYMCYFKF-UUYOSTAYSA-N	444.156	5.455	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)ccc1Br	33652843	VDFUWHFQIMYLSH-ODLFYWEKSA-N	436.309	6.137	50	40	IKGB	
Br[C@H]1[C@H](c2ccccc2)CSc2n(-c3ccccc3)c(-c3ccccc3)n[n+]21	54361220	UREOWADHCIIHKL-LEWJYISDSA-N	449.397	5.610	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F	59117201	SZANMMOLVOICKN-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	59432877	IVAIDQPCKBWVFJ-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(F)cc1	59534374	KXYNMVPWFSUOEK-XDHOZWIPSA-N	436.508	5.088	50	40	IKGB	
N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	96021460	DBYJLTXEDOWVJX-QNGOZBTKSA-N	437.952	5.217	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1	107609155	ZDZLUQPQUHLPDS-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	226341656	VXXSNBXMVGYSCW-CMDGGOBGSA-N	436.132	6.613	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc2ccccc2c1	408550709	JGVPSXRVDOZDBB-ITYLOYPMSA-N	429.494	7.775	50	40	IKGB	
Cc1ccnc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)c1	408551057	ALSWMMDTYLZDKA-XDHOZWIPSA-N	441.560	5.155	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1	408585607	GJQSQBANDORTPU-MFOYZWKCSA-N	449.164	7.943	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1	408745350	MAXPNRNUYAFPPO-HMAPJEAMSA-N	442.515	5.527	50	40	IKGB	
Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1	408755541	OIVXRDASKWTHOQ-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	408809026	HIIKJMHZBNQVLL-MFOYZWKCSA-N	442.321	6.394	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc(F)c1	408844245	HMAVZZZRTDPOJN-NTFVMDSBSA-N	428.463	5.643	50	40	IKGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1	408888448	VPQICEPABYRQBM-JVWAILMASA-N	436.427	5.176	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cc(C)cc(C)c1	408889339	CRMNLFSUTJETQL-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)cc1	409063129	HMZLSZISLVYPTP-CJLVFECKSA-N	442.515	6.066	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1F	409072842	DXUBPGLRPDBFDE-HYARGMPZSA-N	444.462	6.114	50	40	IKGB	
Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Br)cc2)C2=C1C(=O)CCC2	1436332	WGDCJYRIUBXLED-GOSISDBHSA-N	440.366	5.124	50	40	IKGB	
O=C(CNc1cccc(Br)c1)N/N=C/c1c2ccccc2cc2ccccc12	3092040	YKVCAZLHRHRSQG-VULFUBBASA-N	432.321	5.318	50	40	IKGB	
O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1Cl)Nc1cccc(Cl)c1	8782097	MEXFZLPAXKAAQH-UHFFFAOYSA-N	430.291	5.039	50	40	IKGB	
CCC(C)(C)C1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)CC1	12571311	QGHOMXFFYNSEND-UHFFFAOYSA-N	439.463	6.257	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C(C)(C)C)cc1	12653743	ADNMFZMCRVDAPJ-VUTHCHCSSA-N	446.620	5.837	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(Br)c(O)c(OC)c3)n2)cc1	13648075	JVKFEZAOHNQSHD-AUWJEWJLSA-N	443.322	5.360	50	40	IKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cc(Cl)ccc1Cl	16436997	PRUJABMPHAAQNL-XCVCLJGOSA-N	440.080	5.030	50	40	IKGB	
COc1ccccc1N(C(=O)CCCCl)[C@H](C#N)c1ccccc1OCc1ccccc1	26895983	XOBZLCUNLUAVNW-HSZRJFAPSA-N	448.950	5.891	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(C)C	59296966	RBOPFOKQUZPMFT-OQLLNIDSSA-N	433.733	5.744	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1	83263166	BLAPCZGJENBGJF-JCMHNJIXSA-N	427.504	5.125	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)oc12	208251103	DVERUFWFKBFVNH-WOLHVBPDSA-N	439.943	5.581	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C	223573218	ALADVEBNKMSYRN-WEPAEKJRSA-N	432.395	6.178	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1	408580179	AZXQITRICVLWDX-PXLXIMEGSA-N	442.515	5.484	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1	408811241	AFWXDZWKKFUSGA-MYYYXRDXSA-N	435.527	5.479	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	408857443	OEMCDTLKZDBTPJ-LCYFTJDESA-N	431.706	6.761	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408883870	SACDLRQZWZEEIL-DNBCXDNYSA-N	441.369	5.305	50	40	IKGB	
COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1	409077613	FPFZJTBAODNJPE-MXAYSNPKSA-N	429.303	5.345	50	40	IKGB	
ClCCN(CCN(CCCl)c1ccc2ccccc2c1)c1ccc2ccccc2c1	1558005	WHBKFIDZAKCSFT-UHFFFAOYSA-N	437.414	6.784	50	40	IKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1	8934455	DXRNFIVTELFJLN-CVAIRZPRSA-N	435.369	5.315	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)cc1	9445030	VLORNSCRQCLXEE-FOWTUZBSSA-N	440.366	6.256	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	20764183	JRQYIKYZCRTGMT-UXHLAJHPSA-N	447.538	6.005	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1ccc(Cl)cc1	32914607	VSKWZNGGBRHQPG-JJIBRWJFSA-N	431.926	7.410	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)c(Br)c1O	33757867	GOVRCOIZDTUETE-POHAHGRESA-N	427.067	5.129	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	58871108	FQIFOPIRIKQCJP-NDZAJKAJSA-N	436.555	6.480	50	40	IKGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917802	GIKLBYYBCLMODS-GAVQXMQBSA-N	426.495	5.201	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2[C@@H](C)CC1(C)C	223545124	YCNRCHQIYHUHNO-CTOFZRSPSA-N	429.564	5.810	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(N2CCCC2)cc1	408677800	UZALSYBIIJPYRZ-STBIYBPSSA-N	440.522	5.193	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)nn2-c2ccc(C)cc2)cc1	408726709	SUWOIZSZKJIIOJ-JVWAILMASA-N	428.923	5.573	50	40	IKGB	
O=C(CSCc1ccccc1Br)NN=C1CCCCCCCCCCC1	408782633	XXKMZGVBVMSBMX-UHFFFAOYSA-N	439.463	6.459	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1-c1sc2c(c1C#N)CCCC2	408800244	LBCZBIVZAIRNCL-VYRZTJTDSA-N	446.620	5.508	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccccc1	9145016	TYGIHYJGPZHSCL-VNNZRSTGSA-N	431.539	5.403	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1	9933820	GBWMFICKKWZLPP-UVHMKAGCSA-N	432.829	5.702	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1	38650363	OYRFAOONYIVWSY-AREMUKBSSA-N	448.478	5.286	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)cc1	100308484	CBIAJDQFFHICKF-XHPQRKPJSA-N	439.556	6.187	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	108251547	RMNLHINBMFIRAE-XTIFCCNPSA-N	433.335	6.033	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Br	408764173	WHQPNDNQXXDNLQ-SDNWHVSQSA-N	438.237	5.163	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Br)c1	408871120	XVLITUOJLQCOJL-UDWIEESQSA-N	449.323	6.033	50	40	IKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c1	408992369	ARNVZHQXTYXKHC-NTFVMDSBSA-N	439.515	5.106	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409023059	CFKMKGIJAKKZIA-RMJYUUNHSA-N	449.732	5.790	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2F)c1	409210306	JYBNCAAVMQHMBS-DHRITJCHSA-N	428.916	5.301	50	40	IKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccccc1Cl	409370951	VTYBKOZFDXYVNL-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1C	409374853	AKWNIGMNOCOLHL-ZHZULCJRSA-N	443.478	5.006	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	5587451	DHVHTPJUFLSTBV-PGMHBOJBSA-N	427.548	5.946	50	40	IKGB	
N#CC1=C(N)Oc2c(c(Nc3ccccc3)nc3c(O)nsc23)[C@@H]1c1ccc(Cl)cc1	9597247	DPUJSVAMXHKVOO-OAHLLOKOSA-N	447.907	5.012	50	40	IKGB	
C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1cccc2ccccc12	12498755	RGJOGYCVGUZMEN-LFVJCYFKSA-N	441.394	5.852	50	40	IKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1	13301006	RGIHAHHMWXRGMK-XMHGGMMESA-N	425.469	6.575	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1	59297080	OOAKNRKZXUWKBG-JCMHNJIXSA-N	442.515	5.527	50	40	IKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1	59473411	WPFSGVIFHSWGGX-OVVQPSECSA-N	431.561	5.232	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	223504059	DUQYIDSRJGNOBV-CCVNUDIWSA-N	449.982	6.569	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)c1	260562881	CLELDEZQDSOHTH-SGMQAHBGSA-N	429.608	6.658	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1O[C@H](C)CC	408676898	NMUYIYAUJRNWGP-MOROIOLQSA-N	443.975	5.280	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1	408935159	HAAPGTUPXJWDBH-NDENLUEZSA-N	436.433	6.139	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccccc1Cl	408939355	RVHAHQPXFCJXEG-JCMHNJIXSA-N	438.914	6.618	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1	408953200	PALNMLXYSJXMRN-JLPGSUDCSA-N	436.559	5.404	50	40	IKGB	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)Nc2ccc(Cl)cc2)C1	409117430	NMMOOUYRCIZIOS-LBPRGKRZSA-N	439.408	5.982	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1	3060890	HCIWAXFNGGXRRU-LQYQJCSBSA-N	440.587	5.939	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1	13756015	NQLSXNULQAYSRV-RGEXLXHISA-N	430.985	7.679	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1O[C@@H](C)CC	34851511	SGXAXQSPWLYGQX-DUPVFGOHSA-N	445.313	5.997	50	40	IKGB	
Cc1ccc(/C(O)=N/C(C#N)=C(Sc2ccccc2N)Sc2ccccc2N)cc1	41154834	GGATXAGTDMMIGI-UHFFFAOYSA-N	432.574	5.741	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)cc1	59297069	WYSHWDBEXVVAFV-ZHZULCJRSA-N	432.907	5.863	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl	408735120	ODXMHXGEUDVETM-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br	408754599	KXMDGGXUQFKZHH-GHXNOFRVSA-N	440.124	5.700	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408802010	XTWIYZHBURPRED-OQLLNIDSSA-N	433.733	5.745	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)c1	408805452	KCHYQVSUKPZHOO-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1	408879445	DLYXUKVPVJKDAM-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccc(C)cc1	408887687	SKVDISGAEWRZIA-OGLMXYFKSA-N	438.483	5.140	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)c(F)c1	408965141	GKKGYILYGGARIE-YSURURNPSA-N	446.663	5.137	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNc2cccc3ccccc23)o1	409391166	HNABABNNAVALNO-MUFRIFMGSA-N	449.514	5.156	50	40	IKGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1	954297	UNZCTUVJHHKQEU-OVCLIPMQSA-N	431.414	5.437	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	33567970	OMYAMEQZZVARRO-DTQAZKPQSA-N	426.394	5.910	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)Sc1nc2ccccc2s1	33632291	CVZLEUQVAULUES-LFIBNONCSA-N	439.359	6.976	50	40	IKGB	
N#CCCN(C(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1	33923344	WQCXGVMYLOGMPB-SDXDJHTJSA-N	435.405	5.819	50	40	IKGB	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)cc1	59101584	PXCQNRCQNNMYQJ-WPWMEQJKSA-N	443.890	5.114	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1	59297200	MCNYYIDDNQROIO-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	100107788	PAGIWJKVRJEYNE-PXLXIMEGSA-N	442.902	5.435	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)F)CC[C@]4(C)[C@H]3CC[C@@]21C	118932688	VHEUYXQCGHLVPE-MHXBIVLNSA-N	432.664	8.503	50	40	IKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2cc(Cl)ccc2nc1Cl	408728403	LIVVWUSFLIEPEH-QQUGTJAQSA-N	438.767	5.826	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(Br)c1	408803887	UJYHQXLGQNIICR-OQLLNIDSSA-N	433.733	5.744	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Cl)c2)cc1	408894976	LIXBLNNVVCMVCW-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
O=C(NN=C1CCCCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973429	MUDFUOMWUSEJDY-SANMLTNESA-N	449.620	5.333	50	40	IKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(-c2ccc(C)cc2Br)o1	409230940	AETXERGVPXLOQS-UUYOSTAYSA-N	428.286	5.182	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1	915337	CJTZFINWKJBMSL-LJQANCHMSA-N	429.303	5.704	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OCc1ccccc1	8387342	IEYOMVKQMPSTGD-FYJGNVAPSA-N	442.515	6.601	50	40	IKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1c(Cl)cccc1Cl	20238391	ZQINNDULELEMOQ-OAHLLOKOSA-N	430.360	5.208	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	100576089	CKEZGFZETZHCNE-NVNXTCNLSA-N	442.862	5.307	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1	100843766	WISPTPVMEPXKJL-JLHYYAGUSA-N	435.858	6.467	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3C)n2)cc1	100860066	LRZKBXCLJINZRV-PTNGSMBKSA-N	426.339	5.866	50	40	IKGB	
BrCc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104048649	LFDICXPJFATPMQ-UHFFFAOYSA-N	447.356	5.808	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2ccccc2o1	105060460	ZVSUPRNGUQURMD-ZMFRSBBQSA-N	439.298	6.083	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1	105182593	VNVRFPXLYOJIOI-ODOXXOCOSA-N	426.944	5.204	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408747684	RNYNEUZLKVHELF-JYRVWZFOSA-N	435.705	5.055	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c1	408757012	YYFHVLVUJSHOGU-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408811763	MVKSUFWVASQDKX-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408892800	CZUWRQKEUMDSPR-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccccc1Cl	408976144	PQRQXYOZQJZQPC-HLPLGZEISA-N	426.944	5.204	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1	409072135	IOXMPOMQXFSUTA-LGJNPRDNSA-N	434.870	6.274	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)c1	409252240	RJBNKRXBDBYQPR-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
O=C(CCl)Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1OC(=O)CCl	2141696	MDYGDVMPYHVXMD-UHFFFAOYSA-N	440.131	5.433	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	8818269	JZWMBZLNEVGEER-UKTHLTGXSA-N	431.304	6.310	50	40	IKGB	
CCCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1	20133034	URFHNVYUSCEAPY-INIZCTEOSA-N	433.371	5.768	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C	28216219	SENOVSDDDKJMCW-DHRITJCHSA-N	425.985	5.607	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c(C)c1	408791291	VRBBNAIRQVPSPE-WGOQTCKBSA-N	432.523	6.581	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(C)c2)cc1	408817862	WLYMCGZAHXCWIX-HZHRSRAPSA-N	426.516	5.691	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1OC	409304912	TYOLLEMONJZKCW-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccco2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409370683	CGEISMDNLDEFGL-BRJLIKDPSA-N	426.303	5.662	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=O	703888	JXMPQAGGSCWEGL-LJQANCHMSA-N	441.434	5.265	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2c(ccc3ccccc32)o1	2159485	KLDKCUKDLFZISS-AFUMVMLFSA-N	425.400	5.518	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1	3117068	VORMIASUYWBSNW-OGLMXYFKSA-N	442.902	5.405	50	40	IKGB	
Oc1ccccc1/C=C/c1cc[n+](CCCCI)c2ccccc12	3671677	NJIYASCKLWWTHY-UHFFFAOYSA-O	430.309	5.219	50	40	IKGB	
CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)ccc21	9057843	VWCBOYVVFPKDBL-OBGWFSINSA-N	438.531	7.054	50	40	IKGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)c1	9693569	PPTRFGPATXDJIO-HNNXBMFYSA-N	430.360	5.521	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	12251004	OJMGXDYHCYMNSQ-XMMPIXPASA-N	445.632	6.372	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	14134883	TULRYYBKSNPPDF-MZJWZYIUSA-N	436.342	5.689	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccccc1F	33632100	WADAUAOVHISIRI-WYMPLXKRSA-N	436.468	5.120	50	40	IKGB	
O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1Cl	59472646	AAXONFOHZZVQGG-COOPMVRXSA-N	439.902	5.174	50	40	IKGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1	59473236	NYAKSJBUWZWKBD-JVWAILMASA-N	430.960	6.549	50	40	IKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	96663532	MBBFNBYOKAENSM-HMAPJEAMSA-N	443.510	5.573	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C	208322290	IFFQEVGNEXNVST-OXVLKEGXSA-N	427.976	5.290	50	40	IKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408538708	PLBGNRHTUQDUIW-RGEXLXHISA-N	440.927	5.631	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1cccc(Br)c1	408787325	XSOYRMZVMZKZAP-JAIQZWGSSA-N	434.289	5.790	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	408865542	CUQWEQQSJYHUQZ-LPYMAVHISA-N	449.381	7.055	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1	408889405	GGIBRRMHAADXPM-LDADJPATSA-N	432.863	5.113	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Br)c2)c1C	408912145	PRCFRXHXORUXDH-JAIQZWGSSA-N	435.321	5.927	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1C	408956154	YWPKZTLZUWCATC-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	409222001	ASMHZENGIKDCTF-RTJYLNGCSA-N	445.566	6.546	50	40	IKGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OC	409323751	PZCDYAQLOOYJPC-WGARJPEWSA-N	438.911	5.009	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	1106136	SEKIWUCMEFSIAZ-YRNVUSSQSA-N	425.735	5.278	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C)c1	1409216	AAVGOTOQDLJCII-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1	1956763	CRGLUNQCBWUDBW-CVKSISIWSA-N	444.332	5.737	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(OC(C)C)cc1	8454662	LGVMPQVVHPXACB-MTDXEUNCSA-N	443.572	6.213	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1	9069559	BITAXKJZODIXCJ-MOSHPQCFSA-N	440.572	5.760	50	40	IKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1	9693536	SYBCHRJYVHXVMW-FQEVSTJZSA-N	437.590	5.027	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)c2ccccc2Cl)cc1	12375373	RCHGXTCNQOKEKQ-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1OCc1ccc(Cl)cc1	15009332	RDUGPAQAEQHNHM-KGENOOAVSA-N	446.934	6.090	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Br)c1OCC(C)C	33462091	CKZARVJVIDPNRD-NVNXTCNLSA-N	443.366	6.166	50	40	IKGB	
CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1	96931711	FTFGXOHUXCHCJW-JZJYNLBNSA-N	433.519	5.054	50	40	IKGB	
O=C1CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(O)N1c1ccccc1	100854132	UYYNNGTXSABRKB-UHFFFAOYSA-O	436.471	5.145	50	40	IKGB	
CCOP(=O)(OCC)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	104117841	HVFUJLPVLHMHSH-HSZRJFAPSA-N	428.405	5.965	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl	408692569	PMLGRWMCTJSZRG-KBKYJPHKSA-N	433.314	5.102	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3O)cc2-c2ccc3ccccc3c2)c1	408724178	HBIYUVVYSSDKTO-RDRPBHBLSA-N	446.510	5.470	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408801189	SASKALQFSKSAJY-XSFVSMFZSA-N	443.459	5.037	50	40	IKGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1	408844870	VDUXTNHMQGMWJX-UHFFFAOYSA-N	429.029	6.954	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1cc2cc(Br)ccc2o1	408858443	SEAVEDWOFNLFNF-UUYOSTAYSA-N	441.306	5.703	50	40	IKGB	
Cc1cc(NC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)ccc1Br	408905134	UDJIJAAEWVBCFY-YDZHTSKRSA-N	425.330	5.321	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1cccc(F)c1	409069958	KDWMGQJJKRLHBF-FYJGNVAPSA-N	439.490	6.082	50	40	IKGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2o1	409076546	BIIAVXQZOVTVPE-RVDMUPIBSA-N	428.360	5.501	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	2284477	VWXJMJLPYUFSCI-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc4ccc(Br)cc4cc32)cc1	8781877	NYBKUJBWIBQFBN-QFIPXVFZSA-N	433.349	6.118	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)c1nc2ccccc2[nH]1	11990327	RAWKHSUZRWLUMN-QGOAFFKASA-N	430.305	5.969	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1	59296969	IJHBWWZHRROFHW-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59447358	TVHYEBPCGKLVEU-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1	223173068	QMWQJJHDCWICLT-JCMHNJIXSA-N	427.504	5.125	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Br)c2)c1	408744907	IBHSKLGWWWEIPZ-QPEQYQDCSA-N	435.705	5.055	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C	408767046	VBFRPFFUGHYOAJ-NDENLUEZSA-N	448.364	6.019	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)c1C	408860276	ZQKXKDFLMBJDNX-OEAKJJBVSA-N	428.507	6.184	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)c1	409222498	DIMPAMWSTUZION-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	409322201	LAFZCYQDISIGGI-OAHLLOKOSA-N	446.359	5.012	50	40	IKGB	
Cc1cc(C)c2cc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c(Cl)nc2c1	786855	UKPYEXWNWJNBFX-JOCHJYFZSA-N	441.922	5.217	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc2c(ccc3ccccc32)o1	2162309	PXDJTWBQGJGQPM-OCSSWDANSA-N	443.506	6.353	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1	2855375	HDTADNCXZDLOGY-GXDHUFHOSA-N	437.839	5.453	50	40	IKGB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)c1	9425063	ZYWDLORWHPCAIG-PGMHBOJBSA-N	445.526	6.269	50	40	IKGB	
Cc1ccccc1C[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1	16157925	CXFNLBOSIPXYPI-VKMIRQPFSA-N	442.946	6.385	50	40	IKGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	16400060	JODXSSMDWMHKBN-UYOCIXKTSA-N	443.765	5.783	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)o1	20029533	IAYKPDAQDVMQAU-JOCHJYFZSA-N	447.560	5.025	50	40	IKGB	
CCOC(=O)c1cccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)c1	34898004	IEDWQBQTYRUIRC-QGOAFFKASA-N	432.526	6.390	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	105051584	QKPAOUYJYSFJMM-MSXFZWOLSA-N	444.274	5.245	50	40	IKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(C)=O)c2-c2ccccc2)cc1	107891808	QRDRGMUOQXBPEG-VEILYXNESA-N	437.499	5.068	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	208462533	USUXYYYPEVSWSG-OPEKNORGSA-N	436.770	6.042	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21	208472108	SVIGUDCDVKHNCX-SXGWCWSVSA-N	426.347	6.171	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1	209491357	HUVILVMTRHIEEI-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1Cl	408579407	HABORFSKPKUMQP-CXUHLZMHSA-N	432.709	7.429	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	408743474	AKAUEIWNURRLRF-WJDWOHSUSA-N	444.749	6.600	50	40	IKGB	
N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795903	NPAPPOJJWQSWRT-CPNJWEJPSA-N	433.305	5.574	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1	408925939	VCPKACSHRNWKOP-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2ccccc2)c2ccc3ccccc3c2O1	12467047	QJYIHLPYWMWVOU-VWLOTQADSA-N	432.479	5.538	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCCSc1ccc(Cl)cc1	16157719	KUEJDRPIJYEFGR-CAPFRKAQSA-N	448.975	6.365	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(F)(F)F)c3)n2)cc1OC	100302571	ZQHMAIRFHSGPDW-SDNWHVSQSA-N	431.439	5.823	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Br)c4)c3C)nc2c1	107702564	CWSVHCVZALHQJQ-WQRHYEAKSA-N	431.337	6.106	50	40	IKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1	226341518	UADQYWQPTBBMCQ-DAFODLJHSA-N	438.507	6.253	50	40	IKGB	
COc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br	408580497	PUQDGQHUNFZIET-WUXMJOGZSA-N	427.523	5.938	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccc(O)cc1	408788284	CABGYIXYIPFCPF-CJLVFECKSA-N	443.506	6.094	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1	408788304	CDMLMMKWPMYVCL-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	408869724	TYECFFHZUJQYDA-CPNJWEJPSA-N	440.852	6.495	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1-n1cccc1	408883178	TZSYLSIFEBEGDG-WPWMEQJKSA-N	429.907	5.474	50	40	IKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408883385	PNGVJCJZOCTODF-LTGZKZEYSA-N	440.905	6.769	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])cc1	409212655	RHUVFGHHKDWUCP-GHXNOFRVSA-N	430.203	6.134	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccc2ccccc2c1	8398645	PJCLNFGBUPUSBB-WGOQTCKBSA-N	447.332	5.675	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	9948745	ASUZAJDUZPDOGZ-GSZSHORJSA-N	431.492	5.406	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1	23723553	WABXREJJIIUADI-XMHGGMMESA-N	438.487	5.043	50	40	IKGB	
CCCCCCOc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OCC	33592175	XDSDVTPKUITNCF-RRAHZORUSA-N	432.564	5.890	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccc(Br)cc3)cc2[C@H]1c1ccccc1	100678402	WUBLLFNSAHVZSY-QCQFVGOUSA-N	446.304	5.123	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1	408579947	LUPWKWQTAASDNX-CIAFOILYSA-N	449.934	6.399	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1	408743491	APBDSUVNJNFDMF-GDNBJRDFSA-N	436.851	5.243	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1c(C)cc(C)cc1C	408803204	MJKWTRLYWBOZLR-CCYKBLFOSA-N	446.591	5.801	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1Cl	408935095	GPZPLQKXNKOERO-GRSHGNNSSA-N	437.326	6.427	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)NC(=O)N1	409367926	OEKUWOZPHQXHQM-LJQANCHMSA-N	430.335	5.750	50	40	IKGB	
CC(C)Oc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c(OC(C)C)c1	409392206	NXSASBQPZIWMDI-VEILYXNESA-N	430.548	5.543	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1	941928	BPDJSOASYOOBCF-KAMYIIQDSA-N	438.237	5.163	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1	1810129	IQQPXTGQJUACIQ-AFUMVMLFSA-N	448.320	5.370	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCc1ccc(Cl)cc1)=C(C#N)[C@@H]2c1cccs1	16577814	HSVVIBKSBHXVBE-HXUWFJFHSA-N	441.021	6.400	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1	20764517	WWVAUKFKRVCUHD-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3	35109759	VLMBVHKTKAXVTQ-RGEXLXHISA-N	439.540	5.919	50	40	IKGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1	38682019	DSWRKIMLBAMPOI-HSZRJFAPSA-N	428.513	5.154	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C\c3cc(Br)c(O)c(OC)c3)n2)cc1	44827425	WHJVUZJLJVABNQ-PXNMLYILSA-N	441.350	5.913	50	40	IKGB	
FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528854	GVURTXCOVIBYAB-REOHCLBHSA-N	441.981	5.211	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2s1	108010998	LUILVWLLCDUJRD-UYRXBGFRSA-N	445.525	6.440	50	40	IKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](C)[C@@H]4C(C)=O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1	217204983	PYBGGSNABBXWHO-IDNMBUKFSA-N	443.455	5.991	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc(Cl)cc1	408738061	MNMQMZMSXMTATQ-JAIQZWGSSA-N	449.735	6.617	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1cccc(Br)c1	408763126	NOUYQKQVXIOKCF-KAMYIIQDSA-N	425.307	5.739	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)c1	408863782	QWXHOIOWWCRGOL-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1ccccc1	408888433	VKBWIULXFKBYAG-CPNJWEJPSA-N	446.890	5.422	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(F)c1	409073530	QBYCERYDKGTEKT-LPYMAVHISA-N	444.462	6.114	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1	409213584	SHFJKOKHHLBFJD-RMORIDSASA-N	439.751	6.149	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12	409229372	OCEURMVABXWFBI-MWLSYYOVSA-N	430.454	5.390	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	6177771	JRIHOHXFKXDJRR-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)c1	13786372	LHDJTQACUSWLTB-MOSHPQCFSA-N	425.919	6.197	50	40	IKGB	
Cc1ccc(SCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1	16157711	YAJQKLBVEDCKDF-OQKWZONESA-N	428.557	6.020	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2cccs2)[C@H]1c1cccs1	19597252	PDLZOMBDWSRKFQ-QRKROWPFSA-N	443.597	5.471	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1	20194924	BHSXTNUUSAFILH-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(F)c1	59201054	MWBGQJMOBUATQC-CIAFOILYSA-N	430.479	5.576	50	40	IKGB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1ccc(SC#N)cc1	101122377	GHXWLNRGYAKUKD-RIYZIHGNSA-N	437.739	5.938	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(N2Cc3ccccc3C2)c1	408734335	VNKFVDRHCAJGER-FDAWAROLSA-N	441.534	6.277	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C)c(C)c1	408799033	JPSTYUJFIFBAHE-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccccc1Cl	409222372	WVFGPTSVTSPOQR-DICXZTSXSA-N	440.902	5.150	50	40	IKGB	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1	1749136	YYZUQUXRXORBQG-WGOQTCKBSA-N	449.624	5.067	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@@H]32)cc1OC(C)C	8742177	XVXPKJWNTPVABE-YDIMBITNSA-N	444.579	5.348	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1	9160637	SQBDXPKUUPTWML-MRXNPFEDSA-N	427.291	5.000	50	40	IKGB	
N#C/C(=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1nc2ccccc2s1	15083482	LEBMGEVZGJMSCH-RELWKKBWSA-N	427.916	5.931	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccccc1F	28216013	UBBLOKLYPALFQO-BRJLIKDPSA-N	429.948	5.270	50	40	IKGB	
CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1F	31783684	XQVYXBOWCPXPPT-STZFKDTASA-N	437.492	5.142	50	40	IKGB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	33691721	UIXQUZICCOPIBO-MLGZCZAZSA-N	431.448	5.435	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc([N+](=O)[O-])c1O	36645995	PAQUVSKCGBUSKP-QGMBQPNBSA-N	429.457	5.650	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1F	40006626	PDYUKUDDXROAMX-KGENOOAVSA-N	430.479	5.658	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cccc(Cl)c1	58917447	QHIPXYXIJMODHM-MJDKSPQASA-N	425.985	5.520	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	59336238	LVQGCKBVRFOQEO-GHXNOFRVSA-N	425.699	5.600	50	40	IKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](C)[C@@H]4C(C)=O)[C@@H]3C[C@H](Cl)[C@@]2(Cl)C1	217204975	PYBGGSNABBXWHO-GQPYBLIXSA-N	443.455	5.991	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)c1	408599005	NMMMINPQDBTZGC-DEDYPNTBSA-N	428.517	5.414	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	408743811	BUHUQTAYGOABGA-ZHZULCJRSA-N	432.907	5.863	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1	408758311	IRDIIUPVXFQJJX-SXGWCWSVSA-N	444.749	6.600	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1cccc(Cl)c1	408925964	VGYXPJLPMCOVKM-CXUHLZMHSA-N	444.749	6.600	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Br)cc1	409007069	MTHOYVLQSRTCNN-IWIPYMOSSA-N	425.326	5.545	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccccc1	409068503	GSBYDBODTBLHLM-PXLXIMEGSA-N	442.490	5.687	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409216325	HEAGLMREDXEGER-GRSHGNNSSA-N	434.835	5.590	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409393678	RYVUGACULTUVDQ-SXGWCWSVSA-N	435.367	5.507	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1	1189991	FCXKECVSXQUCDJ-SFQUDFHCSA-N	438.300	5.541	50	40	IKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CN2CCc3ccccc3C2)cc1	15162732	LPWKMVFDLWQHGC-WKULSOCRSA-N	437.465	5.028	50	40	IKGB	
N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1cccc(Br)c1	16751471	HELZOBIVMFGHHW-GHRIWEEISA-N	443.304	5.309	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1	59249220	UTZVMLUITOPBJC-KAMYIIQDSA-N	426.701	5.439	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1Cl	59447329	QJQDQZGMFHBZQZ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC	408552042	RNQVAKWLNYHPNA-BKUYFWCQSA-N	434.333	6.630	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	408568353	SVFFZSAYYYRTTP-OGLMXYFKSA-N	434.967	5.909	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1	408581188	HKNWPDBNUFSVNS-CPNJWEJPSA-N	448.906	5.439	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1	408753185	IMORDHOYWLBMOB-HMMYKYKNSA-N	434.499	5.134	50	40	IKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)[C@H]2CCCC=C12	1003006	HVZABESBNBCAHI-HTAPYJJXSA-N	448.885	5.245	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	8399841	HRJKWOBCVNKXFF-ULJHMMPZSA-N	430.532	7.801	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	12469294	OGLVTUKGIXRPGS-FSJBWODESA-N	446.315	5.817	50	40	IKGB	
Cc1ccc(/N=C2\N[C@](c3ccccc3)(C(F)(F)F)C(C#N)=C3Nc4ccccc4N32)cc1	12635605	MADKBOCTSFWHHZ-DEOSSOPVSA-N	445.448	5.711	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	13029419	MWFRRWXCALOGQI-GZTJUZNOSA-N	429.372	7.360	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1cccc(Cl)c1	59104330	ZIJCNILDVXJOJD-YWEYNIOJSA-N	430.483	5.004	50	40	IKGB	
CC(C)C1=CC(=C(C#N)C#N)C=C(/C=C\c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)O1	100294147	UOOBIWAELCOCHK-FPLPWBNLSA-N	439.603	6.667	50	40	IKGB	
CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc2c1NC(=O)O[C@]2(C#CC1CC1)C(F)(F)F	195983532	SFKCIHFYAYBXNU-IBGZPJMESA-N	445.941	6.457	50	40	IKGB	in-vitro
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408529308	JCQNMCYDKNTUGZ-YVLHZVERSA-N	446.175	7.228	50	40	IKGB	
CC(C)n1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21	408569825	QGLQTYGQXUEYBS-ZMOGYAJESA-N	439.606	5.230	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408796246	XNTDZZZCNAHCOL-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(Br)c(C)n(-c3ccccc3)c2C)cc1	408851723	NDMXRAUUJIYHKG-AQTBWJFISA-N	434.337	5.711	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408876570	QAUQYBMMLSHHOE-OVVQPSECSA-N	444.578	7.210	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	1096406	RTVZRKDRDTVLMS-GZTJUZNOSA-N	440.330	5.955	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(Cl)c1	59676786	NJHHXQBTDWZWDP-JWGURIENSA-N	444.966	5.003	50	40	IKGB	
CCCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	100074498	IZWNWLSIFMFWJB-UHFFFAOYSA-N	425.532	6.360	50	40	IKGB	
ClCCN(CCCl)c1ccc(/N=N\C(=N\Nc2ccccc2)c2ccccc2)cc1	104382229	YHFSXEYOWPLHML-LOQPWFJESA-N	440.378	6.528	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1	408738323	UXNXPJKEVYFKHN-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408791687	AXBADVBWVJHREQ-OQLLNIDSSA-N	431.717	5.521	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c(C)c1	408849827	ZLENULAZCNJZGZ-IWIPYMOSSA-N	436.559	5.458	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408887376	QHKZDPZKORLAIR-NTEUORMPSA-N	434.279	5.626	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl	408990658	XYHQPFIZKSXBHZ-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc([N+](=O)[O-])c1	409211199	LCKVJTXJEVQHOM-ODLFYWEKSA-N	431.404	5.155	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc2ccccc12)c1ccccc1	409241972	PLRAHTNTFBQSJF-HUBZVCNYSA-N	432.523	6.203	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C	409268401	SUMRBVDGAPEACJ-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Cl)c(Cl)c1	409390297	DWNZNDKYZJUZLJ-GRSHGNNSSA-N	442.317	7.174	50	40	IKGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C1(CBr)OCCO1	2049238407	PXLRPEYMUKKRQS-TWGZSJHRSA-N	441.450	5.144	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(N(C)C)cc3)C3=C2CC(C)(C)CC3=O)cc1	705419	GBFPGUPLWGWDBJ-DEOSSOPVSA-N	426.564	5.002	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	2670481	BPCDQEVPFYLCLF-LFIBNONCSA-N	433.335	6.117	50	40	IKGB	
Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc12	8817758	RSBINOPPWNRYLF-RVDMUPIBSA-N	430.445	5.110	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)[nH]c2c1	9263684	ZIPCIJHVZYBUIS-LDADJPATSA-N	426.432	5.123	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1	15906214	CVTYPULSGGTIRT-MDWZMJQESA-N	428.231	5.707	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Nc1ccccc1	32116851	IDDWNJCTXOEUBW-XKZIYDEJSA-N	426.885	5.555	50	40	IKGB	
C=CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	33645524	MTCIKBVHZINTTF-NDENLUEZSA-N	437.280	6.073	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1C	59432634	FRNJTKFXXCKALN-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
CCc1cccc(C(C)(C)C)c1NC(=S)N/C=C(\C#N)C(=O)c1ccc2ccccc2c1	104304488	CPCDXHWTPWKWOM-OQKWZONESA-N	441.600	6.276	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1	209279577	ZNFPCZQBOAZLRZ-JCMHNJIXSA-N	442.515	5.527	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1	223507839	UMPYWQCGIQZVQJ-BKUYFWCQSA-N	429.564	5.960	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2[C@H](C)CC1(C)C	260565300	HVOAWBRMAFBEQT-FRQJIFLKSA-N	442.401	5.714	50	40	IKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3ccc(F)cc3)c2C)sc2c1CCCC2	408744746	ZSMNBKDQXAHBLT-XSFVSMFZSA-N	448.563	6.414	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408807320	HBTZCVDSORNATJ-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C)c(C)c1	408807806	LCVOHYCVZCRXDV-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1	408841691	GSYSPMABHZAOLS-CVKSISIWSA-N	442.544	5.635	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1OC	409316338	MJOMZMQPYNJYML-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccccc1Cl	409383036	TVJQRPHXAQGBQL-UDWIEESQSA-N	435.911	5.378	50	40	IKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cccs2)c(C(C)(C)CC)c1	3239125	LIESKPIRJGAQML-NLRVBDNBSA-N	428.642	6.433	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	9261646	GXTKFOJYFAFXTP-CPNJWEJPSA-N	432.863	5.163	50	40	IKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2	9271897	BACIUHWZZCOQQM-XYOKQWHBSA-N	435.332	5.266	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC	31937024	GCKZPHLSLJIKDX-PXNMLYILSA-N	446.484	5.006	50	40	IKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC	33722851	FLCZCOQTRSDDMS-AFUMVMLFSA-N	426.900	5.063	50	40	IKGB	
COc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	33870248	ZBVDZYCJOIDMTM-YUMHPJSZSA-N	443.503	5.039	50	40	IKGB	
CCCCC[C@H](/C=C/[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC	195514139	UOHYGYKCCYPZLJ-OUXKXGBHSA-N	428.686	5.498	50	40	IKGB	
CCN1c2cc(C)c(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc2[C@H](C)CC1(C)C	208327230	BOROBSBEYAWXAJ-NBZOHKLQSA-N	437.591	6.116	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)cc1	209279430	CIMFKKHZCSSTFQ-HKWRFOASSA-N	432.907	5.863	50	40	IKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC	408539076	FEHZZVKWXNYEHH-JLPGSUDCSA-N	447.373	5.571	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)c1ccc(Cl)cc1Cl	408579636	IXAKUAQEMSLGOK-VZUCSPMQSA-N	427.081	5.283	50	40	IKGB	
CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccccc1	408741567	JRHGHDKZMXLKCP-MTJSOVHGSA-N	448.526	5.673	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c1C	408912258	DVBMXSRUIQOFBX-ZDLGFXPLSA-N	425.315	6.472	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1Cl	408991283	ZQUBSOKNQZTRAE-GRSHGNNSSA-N	446.890	5.502	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1	409045311	GEHOWBUKTOHFGW-CXUHLZMHSA-N	433.335	5.973	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cccc2ccccc12	985554	GMLDQPICXPMNIT-IBGZPJMESA-N	433.298	5.755	50	40	IKGB	
N#CC(=C1SC(c2ccccc2)=C(c2ccccc2)S1)c1nc2ccccc2s1	3184567	COVWEQDCWQSVMH-UHFFFAOYSA-N	426.591	7.494	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(COc2ccc(Cl)cc2Cl)n[nH]1	8781615	DMKYIADUASBQCF-VZUCSPMQSA-N	440.117	6.061	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1Cl	8989921	FWRJQUKFNSVWHY-NUGSKGIGSA-N	428.102	6.324	50	40	IKGB	
CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1	9969764	RVHNWEYOSNOXPX-WDMWBOBFSA-N	431.536	5.207	50	40	IKGB	
COC(=O)c1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(C(=O)OC)c1	44835388	YDPJHZXZHVMJPR-VXLYETTFSA-N	432.501	5.064	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl	59336057	XHWXDUPDYQAXCH-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1Cl)[C@H](C)CC(C)(C)N2C(C)C	223606026	MBEJLPONAFPYJO-BDBXIWDTSA-N	435.999	6.695	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Sc1nc2ccccc2[nH]1	408598694	IORFSNOWTYAELS-DEDYPNTBSA-N	428.473	5.707	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(Cl)cc1Cl	408969137	IABOFHWPTRSIEB-PPDIBHTLSA-N	440.305	5.899	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3cccc4ccccc34)c3ccccc32)cc1	409225009	LNIXAPLBSOUODJ-UXHLAJHPSA-N	431.539	5.844	50	40	IKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc2c1CCCC2	2199190	DFGOIUXSXOUBKB-DTQAZKPQSA-N	426.513	5.269	50	40	IKGB	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)cc1	9347950	RVQPQQRFPDUOAN-OQKWZONESA-N	440.547	5.246	50	40	IKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc(Cl)c1	9831809	WRYHPIPXOUYDCN-XMMPIXPASA-N	448.906	5.241	50	40	IKGB	
CC[C@H](C)c1ccc(OCCCOc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1	9969770	HEHIQQMAFBDNIJ-GBZINIMXSA-N	431.536	5.207	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151726	PADLJIOMHDPKII-RVDMUPIBSA-N	444.472	5.212	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1	108109583	PADHOTJLHFZTOO-WQRHYEAKSA-N	442.317	7.174	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccc([N+](=O)[O-])c1	408569041	YIIVXSRFKQQJHT-NTFVMDSBSA-N	448.482	5.515	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)Sc1nc2ccccc2[nH]1	408598663	HTPOTBATZDMDES-QGOAFFKASA-N	425.542	6.134	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1Cl	408735702	WKXMSSXKPCQDIZ-XDHOZWIPSA-N	443.909	6.336	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)c1	408745228	KRHFSLHEWVGPEG-IWIPYMOSSA-N	435.527	6.192	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	408745606	UCUPNMNXQHYBNZ-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1	408793494	FOOJZAVJKBMOKG-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	408819014	ZMALQQBXAXDUDT-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1ccccc1F	408868203	OCYNESXZEYGZKI-CIAFOILYSA-N	448.925	6.323	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccc(C)c1	408874130	YYSOBIUNZFVBAI-HZHRSRAPSA-N	426.516	5.691	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OCC	408876828	ODBLPVRMQBFGQB-JVWAILMASA-N	446.572	5.437	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1	408889919	KZAJEGLISPZJJA-GHRIWEEISA-N	439.427	5.562	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)cc1OCC	409318598	XFDSJQAJUQALFY-VEILYXNESA-N	446.547	5.525	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCCC2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1	4087007	GDCUYHATQSHFIP-LDADJPATSA-N	440.931	5.402	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc(-c2ccccc2)cc1	9374550	QVHAJIZNBWAECC-JFLMPSFJSA-N	449.341	6.205	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	59333923	BSDBNDKIHDWUFI-JAIQZWGSSA-N	435.321	5.176	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1	408755924	PWYDZTZPIYZLCP-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	408798538	VRXPERKAWLFCLT-LICLKQGHSA-N	441.325	5.185	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OC(C)C)cc2)cc1	408850035	DGNZRQSYIRRQQT-CEUNXORHSA-N	437.543	6.004	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cc(C)cc(C)c2)cc1	408866268	GXCAIEACTJPMOA-LFVJCYFKSA-N	440.543	5.847	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	409190309	RWWCDSMMFMOADU-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc(C(C)(C)C)c1O	3092459	YMUXBMDSCSSKSC-MUFRIFMGSA-N	431.580	5.703	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(O)cc1	16268424	WYCLMEOQGUWZNH-BOPFTXTBSA-N	436.309	5.108	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2OC(F)F)cc1Cl	16439962	VAXCYBMZBTUEMQ-IZZDOVSWSA-N	444.768	5.097	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	20197291	DZCSWPCZPVHHRJ-VUTHCHCSSA-N	438.527	5.972	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1O	33622390	QXMDCZCHUJAAHC-WMZJFQQLSA-N	442.096	5.016	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1	33663705	YUMIQMVHGUKFCP-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC	34704908	JFSUZAPPVRGXEN-MOSLJXCSSA-N	429.731	5.597	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(F)cc1	59202011	UUUDDRLNPNSBIF-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc2ccccc12	59255552	WUGYFHAPTHBZLE-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1Cl	59335455	ZOZUVJVLACJSBG-UNOMPAQXSA-N	447.922	5.388	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc1	102500955	IIYFQUVITLHCJL-JOCHJYFZSA-N	436.964	6.551	50	40	IKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NC2CCCC2)c1	207059597	HWMROPHLNMOWQF-UNOMPAQXSA-N	439.353	5.302	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cccc(OC)c4o3)cc2C(C)=CC1(C)C	208526196	BOZFXGYKUDLXOG-JFLMPSFJSA-N	431.536	5.536	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C/C(=N\NC(N)=O)[C@]12C	253617226	OKIFINTYHZKNNY-MQSITFSLSA-N	445.648	5.259	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1Cl	408586616	CQBDLIMHERXSRR-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12	408598962	MHBYCIBAHXCALB-IWIPYMOSSA-N	439.942	7.535	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c1C	408599676	YIYCZZLUGZWMBT-CVKSISIWSA-N	426.476	5.228	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC	408727464	YXSHPRSANKJULK-WJDWOHSUSA-N	429.314	5.182	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)ccc1OCc1ccccc1	408753549	AVJJKFUHQLYREI-JCMHNJIXSA-N	440.499	5.413	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c(C)c1	408795873	MWNPOFQMGJDXHC-RGVLZGJSSA-N	434.898	6.221	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1ccccc1F	408813983	GHYUOXWQSNTWHE-AQTBWJFISA-N	440.434	5.283	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	408818686	QCAQCBDLJATGSW-HAHDFKILSA-N	435.527	5.230	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1cc(C)cc(C)c1	408884716	ZAUSHERITBUQGJ-FSJBWODESA-N	444.962	6.410	50	40	IKGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl	408998184	AMMRAHMPBLWJOD-RVPIIJQGSA-N	438.314	5.409	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c1	409008536	XNLQCMCIMNKQDG-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	2288771	MGPJDYNYRSKKPV-QSJINSDNSA-N	427.441	5.445	50	40	IKGB	
N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	11853131	YYDORBAHGQYMHL-XFXZXTDPSA-N	440.277	7.112	50	40	IKGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1	20132728	MBKMRNJNQSLLLC-AWEZNQCLSA-N	437.334	5.517	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	20197628	PKVJYEYXJWPERA-PCLIKHOPSA-N	430.533	5.154	50	40	IKGB	
COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@@H]2c1ccccc1	37246091	AILISRZHYYKIJG-ZNIXKSQXSA-N	446.983	5.194	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1	59297100	QVIVGTSKRGQYSQ-HMMYKYKNSA-N	439.490	5.773	50	40	IKGB	
O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	105070382	WPUWBMNBFWIBMZ-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C	208503813	ILYCSANAYWAKOX-QRQIAZFYSA-N	427.548	5.391	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408566510	HDGPYGPRUUSQJP-QPEQYQDCSA-N	428.261	5.102	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl	408580658	QIZOTTJMUQNCAX-LZYBPNLTSA-N	449.164	7.943	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1	408581116	UTNCOPPERRKKML-FYJGNVAPSA-N	434.333	6.409	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)cc1	408598923	LEIKSHLUARSDFS-KGENOOAVSA-N	442.544	5.804	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Br)c2)cc1	408744497	LQISDFSJKUSDTP-JYRVWZFOSA-N	435.705	5.055	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1	408746168	XTRSZJDVENKXAT-UQQQWYQISA-N	441.534	6.697	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408783721	QLSOSMLUZCDHGQ-MFOYZWKCSA-N	433.335	5.403	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1O	408848497	VMZLZPYXRJERIZ-CEUNXORHSA-N	435.527	5.651	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1	408852169	JADMCACEHWKFRA-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1cc(C)cc(C)c1	408868258	OZRYXMFNUMCNQO-BUVRLJJBSA-N	428.963	6.656	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408870535	WKBOPNKJJRNJCQ-ZVHZXABRSA-N	428.963	6.710	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(C(=O)O)c2)c1C	409052854	AYNWOPPLYCFZOJ-BKUYFWCQSA-N	426.472	5.126	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1cccs1	409201778	XWNIALOWTPJRLY-LICLKQGHSA-N	443.355	5.857	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1C	1409224	WZOFLBMNYJWDPN-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1	9160638	SQBDXPKUUPTWML-INIZCTEOSA-N	427.291	5.000	50	40	IKGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693135	LYAMFWYKHUMJSP-SFHVURJKSA-N	439.968	5.267	50	40	IKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	12561539	DZAXMMYZKRYNRQ-LZYBPNLTSA-N	428.344	5.895	50	40	IKGB	
COc1cc([C@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	19852055	PMCATLCUCZFUHZ-WXVUKLJWSA-N	444.579	5.348	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	209400747	JSOVAHZHWGJEEJ-WOJGMQOQSA-N	431.404	5.677	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1	408583503	VDOVCLYBSORWAQ-FYJGNVAPSA-N	434.333	6.409	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1Br	408599707	YVFYXSPAMMBWJD-AFUMVMLFSA-N	439.353	6.079	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Cl)cc1OC	408788544	KYWFFIHKBMVLNF-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408817647	WCMOFLQEUOCWSV-AQRZYSDFSA-N	448.364	5.641	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c1	409266281	XNQORZUJDNORKP-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	681299	JRANLLZJQRQWMH-REMUQMNCSA-N	438.325	5.885	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c([N+](=O)[O-])c1	8437829	ZITLLCZNYGAUHM-WGARJPEWSA-N	439.427	5.827	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)c1	8916839	LPTWCGACQITLIR-XSFVSMFZSA-N	439.490	5.691	50	40	IKGB	
Cc1ccsc1/C=C(\C#N)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1	9349090	CESUPOIRKOBBDA-WUXMJOGZSA-N	445.352	6.657	50	40	IKGB	
Cc1oc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Br	13940271	QKWOIIMDQCYBCH-WSDLNYQXSA-N	429.339	5.407	50	40	IKGB	
FC(F)(F)c1cccc(O[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)c1	100039295	SEUPHXGFZPGUQE-WQANXHIZSA-N	426.276	5.121	50	40	IKGB	
Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1ccc(C(C)(C)C)cc1	104766055	IWSCXTITGGZAFA-NRFANRHFSA-N	428.532	5.741	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	408579853	KPZOUOJKQUEPJN-RQZCQDPDSA-N	449.164	7.943	50	40	IKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccccc1	408599378	TYBCGVPSZBIDCO-XSFVSMFZSA-N	427.529	6.197	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1-c1ccccc1	408769583	WCVJJDLZAKFAGE-PLRJNAJWSA-N	431.539	6.561	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cccc(C)c2)c1	408808550	JIIIIJQSLOMFPY-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(C)nc2c1	408878792	BFNRRFAHIVVWJW-MYKKPKGFSA-N	427.291	5.282	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc(Br)cc1	409212167	NNSOOFKHBPTQTO-BHGWPJFGSA-N	437.215	5.492	50	40	IKGB	
Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccc2n1Cc1ccccc1Cl	409377201	FPSAPOAEEFVTMD-RWPZCVJISA-N	430.939	5.214	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409390514	DPWWFDOIGXGVHC-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
O=C(CSc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1)Nc1ccc2ccccc2c1	3085341	YJOAJWCAWSXSBX-VULFUBBASA-N	447.491	5.067	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1Br	9288130	CXDDXLWZGANINA-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1Cl	9693333	OSUCIHCLORLJEN-HXUWFJFHSA-N	437.996	5.991	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1	13123909	HMCUXHFBMUPXTH-QGOAFFKASA-N	441.512	5.387	50	40	IKGB	
O=C(NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)o1	13893710	NONKZCXRRYDYST-UHFFFAOYSA-N	435.310	6.436	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	59335924	OAYGJNGVHLYJML-JLHYYAGUSA-N	442.258	6.016	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	59410656	KORNOHNJRYGABQ-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
O=[P@](NN(c1ccccc1)c1ccccc1)(c1ccccc1)c1nc2c(s1)CCCC2	101023685	VRCVTQVHHFXSLQ-SSEXGKCCSA-N	445.528	5.594	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2C(C)=CC1(C)C	208522191	ANCQULKEZMSDPU-FDVSRXAVSA-N	443.513	5.728	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223172532	LBZGHRKVKLFYBU-HAHDFKILSA-N	441.531	5.433	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1	408549600	VNNMYLVGACCVPJ-HZHRSRAPSA-N	427.345	7.074	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(C)cc1	408568556	KKRLRMHOQIDKCB-NDENLUEZSA-N	427.479	6.052	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl	408755563	VQTDMPDMRODRDA-SDQBBNPISA-N	440.124	5.700	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1	408799464	ZJWREUVWPKYHRH-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C)c(C)c1	408802759	HAWOYWLASDXDEA-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1ccccc1Cl	408871521	YOQNBTAGSWVALT-XDHOZWIPSA-N	437.326	6.138	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Cc2ccccc2Cl)c1	408871996	IWGCTSHQQDEANB-XDHOZWIPSA-N	437.326	6.138	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)cc1	408980946	GSHBNMSLBFVSGV-CJLVFECKSA-N	428.488	5.127	50	40	IKGB	
N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2ccccc2)cs1	704168	DFUHVCXHIVPVKR-SDNWHVSQSA-N	429.286	5.391	50	40	IKGB	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCC(c4ccccc4)CC3)cc2)cc1	12651505	OZBBCHZTOAHSDS-UHFFFAOYSA-N	442.559	6.108	50	40	IKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)c1ccccc1	12960595	TXLCEOBFTSRODV-TWKHWXDSSA-N	442.522	5.970	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)ccc1OCc1ccccc1	59473327	QJZZZONXKRLZLY-JVWAILMASA-N	448.588	5.356	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1	59922201	REOGYPYFJLCVQP-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
Cc1cc(C)cc(OCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)c1	67192600	OKENYHTWPLZJKO-NTFVMDSBSA-N	425.532	5.144	50	40	IKGB	
CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NNC(=O)c1ccco1	102032237	OFOGGSWGNYXJKX-UHFFFAOYSA-N	427.545	5.214	50	40	IKGB	
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C[C@H]1I	123382775	BRIGFVPKSRVNOO-YHVBFONYSA-N	444.397	5.764	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2c1	408554645	SNAMLMKSVNBPSZ-LFIBNONCSA-N	443.528	5.215	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1	408579263	FOQRDKLUEDKGIH-SFQUDFHCSA-N	444.339	6.134	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1	408582355	NCAYILKARBGVRD-QGOAFFKASA-N	425.893	5.180	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl	408599717	YYLRVQFQIPKXDG-NVMNQCDNSA-N	444.745	7.299	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1	408882209	NZRHZTBPOXAONP-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408890961	JCBVMLKHXABKLO-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC	408981615	BZYCNJULAYCUSQ-YBEGLDIGSA-N	445.744	5.694	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCc1ccc2c(c1)OCO2	409206863	QPYYKVIYAXHFJX-RIYZIHGNSA-N	441.270	5.205	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1cc2c(ccc3ccccc32)o1	409213757	QRTQSGKFSUCSAC-IPPBACCNSA-N	448.400	6.629	50	40	IKGB	
CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	6480806	MWFRRWXCALOGQI-BOPFTXTBSA-N	429.372	7.360	50	40	IKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	17306467	TWZTYRLPSKSEEC-SDNWHVSQSA-N	444.343	6.270	50	40	IKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1cccs1	19927409	AWCHOUHNDBQZOP-GOSISDBHSA-N	449.885	5.725	50	40	IKGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4cc3OC)c2C)c1	34702381	UJXPRQGYXYKSBA-YUMHPJSZSA-N	427.504	5.028	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC	59336518	NEBKIWDKVYDJAJ-WJDWOHSUSA-N	431.319	5.675	50	40	IKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1	59505964	BSJVAURMFBSQHS-AUEPDCJTSA-N	447.149	5.559	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1	59535980	QMOGKUGIHQJSDI-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccccc2Cl)CCCCC1	225553431	MXCLTNFRRQADDN-UHFFFAOYSA-N	436.777	5.954	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	408566398	GBQZLPFANNGXBZ-AFUMVMLFSA-N	439.899	5.499	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408580419	PKOIPEXNCLPTQX-NTUHNPAUSA-N	439.136	6.393	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1	408580753	ROILYNQXSGVNRZ-LICLKQGHSA-N	428.290	6.784	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl	408792648	BRUINDHITVUHTD-QGOAFFKASA-N	433.851	5.373	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1	408872100	KKDNMZDEQBUFLS-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC(=O)c1cccc2ccccc12	408884948	ZJCFNDAINHSPHN-LTGZKZEYSA-N	448.478	5.613	50	40	IKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(Br)c1	408885519	BIKHAWGPJFYZGK-XYOKQWHBSA-N	438.094	5.205	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccccc2Cl)c1	408888143	XGPPXWKHZZLXGM-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409217819	WZHBRSPHODHSMH-SSDVNMTOSA-N	429.885	5.059	50	40	IKGB	
COc1c(Br)cc(Br)cc1/C=C(/C#N)c1cccc2ccccc12	409324378	TWRAMCXTTAERHN-DHDCSXOGSA-N	443.138	6.438	50	40	IKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	2204609	GQZKDMSPYNIFJS-QBFSEMIESA-N	444.343	6.270	50	40	IKGB	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	6142229	YFRMMMAQPJTJPT-RIYZIHGNSA-N	448.762	6.240	50	40	IKGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	20100791	BCSNPVZFKIWVBV-WYMPLXKRSA-N	433.291	5.181	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1	59272379	CSWXMESHUQMTDL-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(C(C)(C)C)c1O	59333165	JZOHSIONUGFXQI-PGMHBOJBSA-N	445.607	5.243	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c(C)c1	108252149	LUPYINCQYHLRRX-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	408538145	JUOJDUVGIXNENJ-UYRXBGFRSA-N	426.944	6.162	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408789612	QGOBTEAQPMRNKA-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)c1	408879053	AKMIEYPGOWDNEV-SSDVNMTOSA-N	449.381	7.055	50	40	IKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cccc(I)c1	408924286	MODFWPAVUCBPNU-JXMROGBWSA-N	443.071	5.144	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1	409199838	FERABSKNJCJWEH-NDENLUEZSA-N	449.304	6.309	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc(-n4cccc4)c3)o2)c(Br)c1	409236196	RYQRHSMLIUGXLO-MYYYXRDXSA-N	448.320	5.572	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	409365775	RYNCKPXRPFHDDH-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc2ccccc12	409394124	VZIRSQFVEKEGKW-UUYOSTAYSA-N	443.905	7.284	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(OC)c1	33407121	BQFMGVIANYKSJM-MZJWZYIUSA-N	447.922	5.124	50	40	IKGB	
CC1=C(C#N)[C@@H](c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)OCCC#N)=C(C)N1	68606471	QWGPISHFDHTRIM-AREMUKBSSA-N	434.499	5.117	50	40	IKGB	biogenic
O=C1OC(c2ccccc2)=N/C1=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	102606309	ZBDWTUZERVNXPS-OCEACIFDSA-N	449.446	5.373	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3Br)cc2[C@@H](C)CC1(C)C	223573351	WBJNRDVQJQFAEV-MMDHUZEPSA-N	442.401	5.634	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc(Br)cc2)c1	408580310	OETIPYHQTNICMD-XSFVSMFZSA-N	447.332	5.839	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C)cc1	408726812	VKPVQYSTUJWMBX-IWIPYMOSSA-N	440.543	6.135	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C	408794321	RYCIASTZZPBGBN-RGVLZGJSSA-N	434.898	6.221	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1cccc(F)c1	408873842	XJKGODYESZTWQL-RGVLZGJSSA-N	448.925	6.323	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1	408875226	HQNPPHPLTHORQU-XDHOZWIPSA-N	435.296	5.725	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1	408876205	JXPIJNCSGYQGHH-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	3080081	XPTXPUXEFRXWGW-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	3254217	OWPGJCCPRAPFDF-UVHMKAGCSA-N	448.897	6.415	50	40	IKGB	
N#CCC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	6474190	PAQXWPIBRKRSRA-RDRPBHBLSA-N	438.918	5.828	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1	10476049	HHJDDNKPOUIXDE-VUTHCHCSSA-N	438.527	5.510	50	40	IKGB	
N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152068	STCJBKFJFODEBJ-NTCAYCPXSA-N	432.936	5.488	50	40	IKGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)c1ccccc1	28216655	BPEYAIDAINVVQA-LHXREVONSA-N	430.335	5.239	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	39884670	WEIVQDBVIRPCTN-RVDMUPIBSA-N	427.287	6.198	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1	59233027	TVBYJXKSKOPFLG-CIAFOILYSA-N	430.479	5.576	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1O	59254997	DJWFKBQQSWCNJR-NTUHNPAUSA-N	435.705	5.061	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1	59297082	AKPDWHVMVYKCQH-MOSHPQCFSA-N	446.478	5.358	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	107784031	ZGSXKBCRJYOUPF-GHRIWEEISA-N	427.529	5.596	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCc1c(F)cccc1Cl	113837589	OZMGOLLSHZQLKZ-LFIBNONCSA-N	433.870	6.007	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C	118930530	WDRGNJZPWVRVSN-VEIPTCAHSA-N	449.561	8.791	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc21	223512488	PKMQHBBJZIMKQX-QRVIBDJDSA-N	427.592	6.568	50	40	IKGB	
CC(C)(C)[Si](C)(C)OCc1ccccc1N1C(=O)[C@H](N=[N+]=[N-])[C@@H]1/C=C\c1ccccc1	256001814	SNBKFPZJRSQSET-UBUYBAOQSA-N	434.616	6.316	50	40	IKGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1	408579978	MHDSCLHHJOMCDI-XIEYBQDHSA-N	445.949	8.290	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(-c2ccccc2)n1-c1ccccc1	408774972	ZGXYSDUNTPPBRW-QJOMJCCJSA-N	439.356	7.279	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1F	408848717	SCBAODGMRIJDHS-NTFVMDSBSA-N	428.463	5.643	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(F)cc3)cc2c1	409186754	HLPUQPNSBUGVNG-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4CC)c3C)cc2c1	409187530	ROOCQRUSJVYBLM-YUMHPJSZSA-N	429.520	5.565	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	4113016	BRPAUIRIENXJBH-XNTDXEJSSA-N	448.841	5.907	50	40	IKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccccc3Cl)ccc21	6135661	GWLMXGYQLYGICS-LQKURTRISA-N	446.938	5.602	50	40	IKGB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)OC)cc1	8722188	RXPZQTBPVYMYOL-KOEQRZSOSA-N	448.947	5.447	50	40	IKGB	
CC(=O)Nc1sc(/C(C#N)=C\c2cccc(Br)c2)nc1-c1ccc(C)cc1	31875852	HSSCEYZMTOHDBX-YVLHZVERSA-N	438.350	5.904	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccccc1Cl	34762996	HEMDSOBWOKUXLP-JCMHNJIXSA-N	447.937	7.249	50	40	IKGB	
CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528366	DAZLSGMEMYZGOQ-ZDUSSCGKSA-N	428.267	7.299	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1Br	108233214	QSSCFMFWKCHRKN-SDNWHVSQSA-N	427.685	5.908	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2[C@@H](C)CC1(C)C	223543427	HVOAWBRMAFBEQT-MMDHUZEPSA-N	442.401	5.714	50	40	IKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(C(=O)OC(C)C)cc1	408691913	XUJMUSJFUGRCHH-STZFKDTASA-N	438.531	5.616	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1	408711796	KXBYRPLZTWVINE-OGLMXYFKSA-N	425.532	5.090	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408744428	FQJSUBWOPNNPMK-GHXNOFRVSA-N	440.124	5.700	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1	408744830	HPMUODFUKPVYFS-ATVHPVEESA-N	444.403	5.149	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2)c1	408809225	NNOZGRZUUHGKHY-OMNSNBSWSA-N	442.515	5.067	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1	409365723	RPSVNZLZMGVMNY-DICXZTSXSA-N	436.939	5.237	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1	1062714	RCRSMVWZEBVYDJ-KGENOOAVSA-N	428.488	5.137	50	40	IKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1OCc1ccccc1Cl	2143396	ZIPFKFWCJSBEBX-VWLOTQADSA-N	438.914	6.290	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1	2670164	JXXXRJRIWGFFCI-HAVVHWLPSA-N	432.479	5.913	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	2805817	QRMBWUULCXZWMS-CPNJWEJPSA-N	441.918	5.897	50	40	IKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1	9353288	XQEWPDKYNSHBLJ-DTQAZKPQSA-N	444.387	7.272	50	40	IKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9353290	ZHUOEJLZZDGZBE-FMIVXFBMSA-N	440.277	7.112	50	40	IKGB	
C(=N/c1nnc(SSc2nnc(/N=C/c3ccccc3)s2)s1)\c1ccccc1	16451011	RYTQJLKUNZJERV-AYKLPDECSA-N	440.604	5.690	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c1	28215936	GCZYCJLMWGKXLJ-MZJWZYIUSA-N	433.621	5.711	50	40	IKGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527764	FWFQERUYTFDXJE-VKHMYHEASA-N	438.018	5.304	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1	408537178	CLWLZVRNBZSFFU-XSFVSMFZSA-N	441.369	5.632	50	40	IKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c(C#N)c1C	408547060	RGAMEBXVCMOIEN-NTUHNPAUSA-N	433.316	5.130	50	40	IKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)c1	408744651	MJVDIHWRDIYEQH-XKZIYDEJSA-N	427.504	5.043	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OC	408828058	NGCUCCRZDCYALD-PXLXIMEGSA-N	442.515	5.527	50	40	IKGB	
C=CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409039438	WNZLRLCKOGXTQS-FSGOGVSDSA-N	444.538	6.115	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc2ccccc2cc1O	3112650	RNJRNZWUQGJIJH-JFLMPSFJSA-N	430.891	5.542	50	40	IKGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	3166426	XUYMELGTNZOPKH-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C	12465005	UXRKFHFMJXMMJQ-AFUMVMLFSA-N	432.948	5.098	50	40	IKGB	
C/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)c1ccc(COc2ccccc2Cl)o1	33580395	PSJPYEFOBMMHLH-YUMHPJSZSA-N	440.971	6.224	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1	38650364	OYRFAOONYIVWSY-SANMLTNESA-N	448.478	5.286	50	40	IKGB	
Cc1c(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc2n1Cc1ccc(F)cc1	408591799	VFHLBHZVGFNAPI-FDAWAROLSA-N	449.529	5.983	50	40	IKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408789916	SOWBKGYRQKXSAE-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(C)cc2)c1	408802435	FACAYICICOKEPG-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)n1	408815874	SRVRUYMOOVIKGW-VCHYOVAHSA-N	426.303	5.633	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408819060	ZTDMDXRGBAEXQW-UDWIEESQSA-N	443.890	5.345	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)cc1	409006422	JFOKJQUFLGWKBG-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(Cl)cc1	409358424	SYZXFGDFKHOLLN-WQRHYEAKSA-N	437.757	7.714	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	2872267	MQYJLBIRKRNXAU-GIJQJNRQSA-N	438.842	6.039	50	40	IKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	3033328	IWIIQIFGTHOHES-STBIYBPSSA-N	439.559	5.516	50	40	IKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)cc1	9203326	SKLVYGHYXVXVJN-ZVHZXABRSA-N	425.326	5.082	50	40	IKGB	
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cs1)c1ccccc1F	23215634	SNQDGIHMXCHTQX-LFIBNONCSA-N	444.491	5.546	50	40	IKGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1	100555841	RKWVDYPCCJRUAW-ZHZULCJRSA-N	436.770	5.430	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1	408567285	CUHDZEWOQXYAKE-MFOYZWKCSA-N	444.422	5.262	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1	408743599	BJCGFUZQHOUBII-WQRHYEAKSA-N	436.870	5.612	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(C)c1	409007618	PVHXWQJWAYQUSS-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(Cl)c1	409054271	UAZCLSHETITABE-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)cc2c1	409186404	BRTGGGVUSQEQAL-YUMHPJSZSA-N	444.487	5.183	50	40	IKGB	
O=C(O)CCc1ccc(N[P@@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1	1695695	VQWMUWDICPSOFR-MUUNZHRXSA-N	445.283	5.082	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1	2078463	LVDQEXQDSPVDOV-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@H]1CC1(c1cccc(C)c1)c1cccc(C)c1	3060900	SLMYSKIBYBSWDA-PLUOQXPISA-N	440.587	5.939	50	40	IKGB	
CCc1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2)cc1	8959073	FUGQWQJWGKRPNW-OVVQPSECSA-N	436.939	5.514	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	9057432	DHSXVRXWHFLZSL-BJMVGYQFSA-N	441.068	5.210	50	40	IKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)[C@H]1COc2cc3ccccc3cc2O1	9948579	CHCROVFIYRFXAO-NFMUSCNOSA-N	432.479	5.436	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1	11853136	WISPTPVMEPXKJL-RAXLEYEMSA-N	435.858	6.467	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2Cl)cc1	15239916	ZGVDLVBNOJJTQF-NRFANRHFSA-N	448.906	5.010	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	16292969	NBKGTAYJBIYDHX-NDENLUEZSA-N	443.459	5.037	50	40	IKGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1	26842276	SCFAJMCEIBPHLF-FYWRMAATSA-N	439.862	5.081	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	33567969	OMYAMEQZZVARRO-SSZFMOIBSA-N	426.394	5.910	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccccc1Cl	96564006	YJKRMLFIZUNKPO-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1	100108611	VGTUMMCGVZKJCA-UVTDQMKNSA-N	441.310	5.766	50	40	IKGB	
CC(C)(C)c1cc(C(C)(C)C)c(O[Si](C)(C)Oc2ccccc2C=O)c(C(C)(C)C)c1	195779624	IHSBOETYXUWPFU-UHFFFAOYSA-N	440.700	7.551	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	408529755	JWUHPZJIDKELHO-UVHMKAGCSA-N	442.346	5.443	50	40	IKGB	
Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccccc1Cl	408569293	MXVYLLYKLMGVAY-PDGQHHTCSA-N	440.909	6.731	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408599752	KDKFBWYWBVGEDE-MZJWZYIUSA-N	442.390	6.462	50	40	IKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	408750063	WZIGDVPWYCLWRX-SSDVNMTOSA-N	433.689	5.135	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc(Br)cc1	408858258	RBQYYWLWNHSHEO-UITAMQMPSA-N	431.909	5.631	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2cc(Cl)ccc2o1	409021526	LSGTWEPMRGMXIR-RMORIDSASA-N	444.230	5.672	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	409208866	DUANYACSSOCKMD-YBEGLDIGSA-N	429.270	5.385	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c3ccccc32)cc1	409209355	DUODAQUPBOTRAS-MZJWZYIUSA-N	447.991	5.894	50	40	IKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	6050897	RRRGOOPELYXZEM-RGEXLXHISA-N	426.944	6.243	50	40	IKGB	
COc1ccc(/C=C(C)/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1OC	8856211	ZKQSAXHSWNVCDR-WZEOEIKFSA-N	440.543	5.215	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	9057389	DBWHIMHQNFQQLN-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1	12251033	SHIUKGSPLMAHNF-QFIPXVFZSA-N	449.645	5.971	50	40	IKGB	
CC(C)(C)c1ccc(OCCCOc2cccc(/C=N/NC(=O)Nc3ccccc3)c2)cc1	13940178	FDRIZQAUZBDLSD-VFCFBJKWSA-N	445.563	5.988	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	20521980	SIAIKUNVBRXTAY-PCLIKHOPSA-N	437.337	5.111	50	40	IKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3cccc(Cl)c3)c3ccccc32)c1	33528822	VUHCUJMQZMDKTD-BKUYFWCQSA-N	426.903	6.194	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc(C)c(C)c2)c1	408800120	KRSMFNSFEZSEIU-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	408802888	IVPFGECWAYZPEQ-FOWTUZBSSA-N	429.314	5.182	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1	408826434	GQFOGYQFNLMYSG-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(OC)c1	408882723	NQZCFRXCMIJVIR-HYARGMPZSA-N	430.935	6.047	50	40	IKGB	
COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl	409370607	BGPMZDYVCQGUSN-FQEVSTJZSA-N	425.916	5.105	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Cl)cc1Cl	409390453	FMEMSFALBPNKPY-GRSHGNNSSA-N	442.317	7.174	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1	33319800	RCZVMUKVNNKLMG-GDNBJRDFSA-N	436.851	5.243	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1	58885791	CJJPFDHZBSUUGC-UHFFFAOYSA-N	435.568	6.194	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1	207148323	KXMCURZQZUFHGE-HZHRSRAPSA-N	426.516	5.691	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[C@@H](C)CC1(C)C	223535682	CZJLPGCRRUBCSH-HAKPAVFJSA-N	442.390	6.651	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2[C@@H](C)CC1(C)C	223545217	MSGQZPXYZHAGNE-FNVGFWRISA-N	428.580	5.742	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)cc1Cl	408587738	GYCBOWREOVRSLH-LQKURTRISA-N	435.999	6.046	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)c(C)c1	408790391	VXGUIIUPWKNOJE-SFQUDFHCSA-N	435.321	6.180	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1cccc(Cl)c1	408897658	ZGULLCACDKHQJS-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408904020	CKJWYUXYPMZSLS-MXAYSNPKSA-N	449.850	5.337	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3C)o2)ccc1Br	408904068	DFFQYZFTDCFCRW-KSEXSDGBSA-N	446.732	6.135	50	40	IKGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1	408999225	QCERROSZQWLTDQ-QMFOPCRCSA-N	439.515	5.321	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(I)cc3)n2)cc1	8400481	PKQZDFHCBISTQX-PTNGSMBKSA-N	443.313	5.700	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	9720413	KBEXUJOAOSNRCH-MHWRWJLKSA-N	446.330	6.133	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	9906037	XCZCTYASXGREKV-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1C	12859053	IWQRGLKBCORZDQ-WYMPLXKRSA-N	441.325	5.163	50	40	IKGB	
Cc1nn(CC(C)C)c(Cl)c1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	21362102	MBDPXEMIAMLKPG-NTUHNPAUSA-N	432.760	5.146	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1	59137159	MXZOYEPKUNCSEK-YBEGLDIGSA-N	428.294	6.086	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	59224688	MVUPHCSGPCOLHD-RIYZIHGNSA-N	449.732	5.364	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Cl)cc1Cl	59418977	HXIHIRWKFFKHLC-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccccc1Cl	59921811	IPGGUFNTWATTAA-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)c1	107583378	XVRVKGXWLLINBB-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2C(C)=CC1(C)C	208507832	SYXVGGYFDRJYAN-ZVHZXABRSA-N	426.358	5.235	50	40	IKGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	408726567	OMTSZPYYHKJEHK-WPWMEQJKSA-N	439.471	5.020	50	40	IKGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1	408987945	PVSXRNMGKGPXTP-NDENLUEZSA-N	446.938	5.560	50	40	IKGB	
CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C	1614467144	VNWWMZKAASJVJP-BYICBHOTSA-N	425.569	5.264	50	40	IKGB	
Cc1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	1762698	DZQKNDWGMYUDNG-PTNGSMBKSA-N	430.445	5.110	50	40	IKGB	
N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc3c(c2)OCO3)cs1	9013868	KTABKZSNOYAQKT-WQLSENKSSA-N	449.841	6.188	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	16678159	YIOYQGWEXCVLLY-OQLLNIDSSA-N	426.314	5.495	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1C	100843761	UGDJSKGIAUPLOR-XNTDXEJSSA-N	433.886	7.076	50	40	IKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1	220922757	ZWJUWCGVRMHETE-DOTOQJQBSA-N	437.656	5.293	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC	408583157	RYCZHVCUOKOSQH-LICLKQGHSA-N	444.325	5.494	50	40	IKGB	
C[C@]1(C(=O)NN=C(c2ccccc2)c2ccccc2)NC2(CCCCC2)Cc2ccccc21	408734480	UBXPTIVQMMYCHJ-NDEPHWFRSA-N	437.587	5.319	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408779358	DGCKJFCCYUDPKW-QJOMJCCJSA-N	425.576	6.500	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3)ccc3ccccc23)cc1	408781355	CIVPPXNBTJUUFF-NKFKGCMQSA-N	448.522	6.363	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408795931	WQGPOLBTTCPIBV-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
Cc1ccccc1NC(=O)N/N=C\c1c(Br)c(C)n(-c2ccccc2)c1C	408848215	RABZMMHWQJQABU-QRVIBDJDSA-N	425.330	5.321	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	409045083	FKCQECJXWAUEMY-VCHYOVAHSA-N	434.326	6.821	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1	409207799	ACSSNRHUKWVYHO-ZDLGFXPLSA-N	438.842	6.039	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2cccc(OCc3cccc4ccccc34)c2)NC(=S)N1	409368569	CHHMACHAACGHLK-HSZRJFAPSA-N	427.573	5.761	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1cccs1	1244538	XLHJCYCKDINODX-RVDMUPIBSA-N	438.530	5.208	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cncc(Br)c1	1435321	LLGJTWLBXJPEBR-LSFURLLWSA-N	439.096	5.175	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccc(Br)c1	3660655	SOPALCDXUAXEDW-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Cl)cc(Cl)c2oc1=O	8934132	VVGIAMYSDDKAHD-OPEKNORGSA-N	441.270	5.113	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc(C)c1Cl	30937365	XJRXCWNJOJBTCC-ZGQMNJRFSA-N	436.899	5.607	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1	33509542	CXWXWJXCDKZYAL-YSMPRRRNSA-N	446.348	5.524	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	33553147	FWHLLJGVAASJLS-SSDVNMTOSA-N	425.853	5.487	50	40	IKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1	59471521	FUWDEBFBYJVXBS-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	408538878	CWRRVJVRLMTCKZ-RGEXLXHISA-N	445.390	7.278	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c1	408745280	QUINADGOGBZUNB-ULJHMMPZSA-N	441.534	6.697	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)cc2)cc1	408882107	PXFFZDCZBCXMSL-XQNSMLJCSA-N	426.516	5.827	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccccc1	408898143	UXVBWLPYQJIJAH-XMHGGMMESA-N	433.305	5.574	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	409261537	CUUGJTODDOIPMU-MFKUBSTISA-N	439.353	5.699	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1	4196441	YKHHEGMZMYASGB-YBFXNURJSA-N	438.296	6.240	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)cc1	13174756	ODOKLQICHPGBHM-QFIPXVFZSA-N	433.533	5.538	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)C(=O)NCc1ccccc1	19635293	NVZKTJDSAJRPRS-RIYZIHGNSA-N	442.258	5.385	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	20197570	NKRFTNYYDDCHQN-STBIYBPSSA-N	436.515	5.114	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1	33382780	HSPSPPRBFJGVOO-YVLHZVERSA-N	428.290	6.784	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cccc(Br)c1	33700000	YFYITOQQTLFSIV-UCQKPKSFSA-N	427.345	7.074	50	40	IKGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	40486426	PBVHFCDLDNFGCE-HXUWFJFHSA-N	444.984	5.092	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	59266477	KCFHAMDATNPHFG-WOJGMQOQSA-N	440.396	5.969	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1	209280569	UPWKDSRUMNLLEN-ZHZULCJRSA-N	446.478	5.358	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21	223507932	MRBZDNQMSBCUDZ-JAIQZWGSSA-N	433.983	6.604	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	408535115	XPMFSIVDIRRZRL-RPPGKUMJSA-N	429.351	5.272	50	40	IKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Cl)c(Cl)c1	408570160	SFIGAKAUFTZUQL-UFFVCSGVSA-N	427.378	5.001	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1Br	408586116	LFQSZVKLLPRDAV-YVLHZVERSA-N	446.175	7.228	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1F	408743244	FHENHYPCSRQQDK-STZFKDTASA-N	430.479	5.658	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2)cc1	408758038	FXKSGSOAOZYLMU-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)sc2c1CCCC2	408767545	MLCOGCKLFWMFEG-UYRXBGFRSA-N	434.536	6.024	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OCC	408783017	JGRPKBHFFHUHBL-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1cccc(C(=O)O)c1	408783165	KTXOLXCEVNIGTK-MTJSOVHGSA-N	443.503	5.125	50	40	IKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1	408849617	XUFNCVRFCAYQBI-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1	408876601	QJWHHZOTIORPER-CJLVFECKSA-N	445.360	6.148	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1	408877290	UZDIXLNYWJEESR-RCCKNPSSSA-N	427.460	5.282	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1	408926226	WGUQPHRAFJLYJR-MHWRWJLKSA-N	438.846	5.341	50	40	IKGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408993316	WDPKJKBLFGNZRE-XSFVSMFZSA-N	434.923	5.333	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1Cl	409054296	UKZBWGKRUIWKRM-UVHMKAGCSA-N	438.314	5.516	50	40	IKGB	
N#C/C(=C/C(Br)=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	3227851	DEXMDANGPZTTKT-ZTLHOUMVSA-N	427.754	6.806	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151997	NMUGKRFOHDMBLK-NTCAYCPXSA-N	431.542	5.788	50	40	IKGB	
C=CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br	408740628	HOWFPCGQQROCPE-NVNXTCNLSA-N	433.309	5.022	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC	408763587	PVPXZEFHYVYDFE-ZSOIEALJSA-N	449.732	5.446	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3CC)c2C)cc1	408783746	QLAQFCZCDHQBOG-KQWNVCNZSA-N	441.531	5.379	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c1	408792913	MJTRVQFLMGCNLJ-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c1C	408852205	DFUCHXFCXGXNOD-FDVSRXAVSA-N	441.497	5.677	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408858928	UPOWPQDECCMIGG-RGVLZGJSSA-N	442.773	7.907	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408879986	IBDJCQLSMYITMI-VCHYOVAHSA-N	425.290	6.269	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccccc1Cl	408885856	FZWYMJLGPCZVQJ-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(F)c1	408896172	PSHOWNSNKPNWHJ-XDHOZWIPSA-N	434.442	5.488	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c1C	408999139	WQGKDOBMWGKOJQ-NTFVMDSBSA-N	439.515	5.106	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	409065017	KGGKUIGJJPQKHV-LFVJCYFKSA-N	440.499	6.365	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(O[C@H](C)CC)ccc4ccccc34)cc2c1	409188783	GGRDVIGUGJRYKS-AFSAKMMISA-N	430.504	5.926	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1C	650578	OHVDBWJLKPYASB-JOCHJYFZSA-N	434.927	5.094	50	40	IKGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	954273	YFOCCFFDSVLCEE-VGOFMYFVSA-N	432.307	5.725	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)cc3C(C)=O)n2)cc1	1299865	IUKZSTYWEOZHSB-FOWTUZBSSA-N	435.505	5.015	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccccc1	3170514	YZXWJAYVJHWKHM-CVKSISIWSA-N	446.348	5.524	50	40	IKGB	
CC(C)(C)[C@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4)o3)sc2C1	3207597	QUFHPRMHZXPORP-KJCUYJGMSA-N	431.561	6.100	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)cc1	3254213	YTFHMNUASDICLX-JVWAILMASA-N	427.504	5.116	50	40	IKGB	
Cc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1	8396732	KCJMJQXBVGZLTJ-XNTDXEJSSA-N	426.295	5.853	50	40	IKGB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	9324103	UIXQUZICCOPIBO-PVLQNKMRSA-N	431.448	5.435	50	40	IKGB	
CCN(CC)CCOc1ccc(/C=C(\C#N)c2ccc(OCCN(CC)CC)cc2)cc1	17002505	IXALFAKDQLWUOL-NJNXFGOHSA-N	435.612	5.192	50	40	IKGB	
COc1ccc(C2=C/C(=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1	31792608	HUAWZNVATGOSFL-DARPEHSRSA-N	449.915	5.491	50	40	IKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	35518924	UUBHQSPTPRJCOW-GZTJUZNOSA-N	425.315	6.922	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	59303545	RFWBJNWFLSSUEX-WSDLNYQXSA-N	449.757	5.540	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	104164748	IFKHLNJHVZADSP-ROMGYVFFSA-N	431.621	7.306	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408727031	WZUAKWAFILHYRX-MZJWZYIUSA-N	436.342	5.689	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1	408765636	WWDAZNLUNKDZSZ-RDRPBHBLSA-N	438.575	5.828	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)cc1	408797180	BOPJTRMWBWUILT-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1cccc2ccccc12	408800894	RTVKWBQISRFVMT-SYVPYPDPSA-N	428.532	5.639	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(F)c1	408806759	BRCHVHUYGSNKOD-ZWYCOSIFSA-N	436.527	5.405	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1Cl	408889127	ACBNXGPVQZJLPG-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2cccc3cccnc23)o1)C(=O)Nc1ccc(Cl)cc1	408990950	MCJMRJGAAABQLW-DTQAZKPQSA-N	431.904	6.178	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc2cc(Cl)ccc2o1	409016806	AAFJDQRUEMVULH-YSURURNPSA-N	433.678	6.417	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)cc1	409018394	UZCALHIWEMKLHW-ZMFRSBBQSA-N	449.894	5.044	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	409114359	JHDUVUUXRCXGRE-GTPWMTBTSA-N	438.980	5.858	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)cc1	409226140	PDDDEXGLYJKAGS-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1Cl	1084307253	XUPAFROYICGISV-UHFFFAOYSA-N	430.898	5.875	50	40	IKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1C	1827798	HGDFEYONGIQNQP-WJDWOHSUSA-N	444.472	5.418	50	40	IKGB	
N#CC1=C(N)N(c2ccccc2Cl)C2=C(CCCCC2)C1(C(F)(F)F)C(F)(F)F	2290069	HHGNZNVPDMHHHP-UHFFFAOYSA-N	435.799	6.183	50	40	IKGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc(-c2cccs2)nc2ccccc12	3201049	NUNSCPRPSMDLDW-LGJNPRDNSA-N	425.435	5.746	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1	58871618	DKXNIYWAPUYTMV-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc(Br)c1	59473760	XTMCPWDRYQIQJO-LFVJCYFKSA-N	439.378	5.895	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408539164	UKWRRTVPTDGIOH-MOSHPQCFSA-N	440.971	6.470	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408819888	YUWYPMIJBJTHAR-HKOYGPOVSA-N	425.576	5.658	50	40	IKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2)c1	408888322	ZBQXBRPFDZQGMH-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCc1ccc(Cl)cc1	408891808	VRLXQRUWOBQOQA-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(I)cc1	408925368	RODFBOGCDZDUFM-CSKARUKUSA-N	443.071	5.144	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408967144	SOLPFUGODHNXCI-DHRITJCHSA-N	449.850	5.337	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1C#N	409200514	HVAFTOUNKFWTIY-JMIUGGIZSA-N	445.862	5.772	50	40	IKGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1	1789904	NTMSDZMFTXLBSK-QHCPKHFHSA-N	426.541	5.538	50	40	IKGB	
CCOP(=S)(OCC)Oc1nc(-c2ccccc2)nc(C)c1Oc1ccc(C)cc1	2143707	RRMZYQDKLVMTGW-UHFFFAOYSA-N	444.493	6.229	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2[N+](=O)[O-])cc1	2633835	WFRRWFAVHDAMKJ-MKYLKIGJSA-N	443.528	5.839	50	40	IKGB	
CC(C)[C@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl	4048170	NUFQCYGMDGDPAI-LXPIXPORSA-N	446.956	5.615	50	40	IKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(N(CC)CC)cc2)nc1-c1ccccc1	9427901	KQHQUXHGTAIUBJ-CAPFRKAQSA-N	430.577	6.069	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1	20197991	SSEYDOHLTOLVDM-MTDXEUNCSA-N	446.547	5.525	50	40	IKGB	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1	30966372	ZUFQGXBVISCTIW-NQIIRXRSSA-N	425.623	5.677	50	40	IKGB	biogenic
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccc4ccccc4c3)c3ccccc32)cc1	33792934	IWRSIKPXZNJRSA-UQQQWYQISA-N	441.534	6.806	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	58916717	KNSGNCKJRJPREG-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc1	95100361	QLOLUTXEBGQUKN-XSFVSMFZSA-N	425.513	5.729	50	40	IKGB	
Cc1cc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)ccc1C(=O)O	98086639	MKRCPBLGDDKUQK-MZJWZYIUSA-N	438.439	5.617	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Cl)c3)nc2c1	107800264	GJLFGWMFMHMCFA-GRSHGNNSSA-N	443.890	5.866	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	408766369	CPSXHWGBJXAMCP-GDNBJRDFSA-N	447.304	5.321	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1C	408804880	BXKYINXZJRIPLQ-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc2ncccc2c1	408968263	XRCMITGDXMLAJJ-UVHMKAGCSA-N	437.330	5.713	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC	409187503	RHJNIQFOGKHBQG-QFEZKATASA-N	442.899	5.212	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)cc1	409393496	XULIKMRTGDLFQS-VUTHCHCSSA-N	437.543	5.385	50	40	IKGB	
Cc1c(/C=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1	880928	LHKFENAVQCPNIT-JFLMPSFJSA-N	431.923	5.181	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1	2225324	OCAQCMIEJBGGTI-WGOQTCKBSA-N	447.608	5.310	50	40	IKGB	
Cc1cc(OCCn2cc(/C=C(/C#N)C(=O)N3CCCC3)c3ccccc32)ccc1Cl	15931741	XVBHFEQKRNLAAG-CYVLTUHYSA-N	433.939	5.212	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	59224757	RYBQNRHEZNJTDN-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
CCCCCCCC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	97951163	WLGZNSJEMFZQOV-UHFFFAOYSA-N	444.575	5.347	50	40	IKGB	
ClC1[C@H]2c3ccccc3[C@H]1[C@H]1[C@H]2[C@]2(c3ccccc3)O[C@]1(c1ccccc1)c1ccccc12	104105406	XKDFSVHBYBKOEL-MKNDBSFYSA-N	446.977	6.952	50	40	IKGB	
C/C(=N/NC(=O)c1ccncc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	118918035	UVRRRKXFKURMGX-YKKLFBHPSA-N	437.628	5.207	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)c(Br)c1	252493604	NDQXXPKDNXKTDO-QGOAFFKASA-N	449.348	6.687	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408819462	SJWFPUGQYVMXEU-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409000488	TUBKLYRLIYWARF-JFLMPSFJSA-N	447.922	5.683	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c3ccccc32)c1	409001447	VVCPTEMWZUCSPQ-ZHZULCJRSA-N	425.919	6.197	50	40	IKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(Cl)c2)cc1OCC	409007449	OVGDBXQQNHSWDM-UUYOSTAYSA-N	439.737	5.054	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCc2ccccc2)N1	6015271	VFJVCSXGHVNUCL-XMMPIXPASA-N	438.556	5.350	50	40	IKGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc2ccccc2n1	8722095	LZFBXKVGMAKAMV-AFUMVMLFSA-N	446.850	5.353	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)[C@@H](C)Cl)c1cccc2ccccc12	9057292	DUBCGRCIVZMUKM-MRXNPFEDSA-N	438.358	6.148	50	40	IKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1ccc2c(c1)OCO2	12360354	UGQHQCGBYGSANT-CULPDNDYSA-N	438.443	5.453	50	40	IKGB	biogenic,in-vitro
CCCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1	20132936	BWKMDQFIKXRKLI-QMMMGPOBSA-N	440.588	5.604	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	59471545	NTHLFRYYPAIKCD-FOKLQQMPSA-N	426.731	5.214	50	40	IKGB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1Cl	100958927	QPEROUGFMMAKMC-ZROIWOOFSA-N	431.348	5.902	50	40	IKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1	107770935	IGSIIDOTPCSDHA-MTJSOVHGSA-N	431.926	5.154	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	408886685	IFPGMBFINWOAHB-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	409041674	KMIDZCDSMATHMO-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)cc1	409084982	WFHRFPUBBHFNRG-ZHZULCJRSA-N	432.907	5.782	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(C#N)cc1	409369180	GRDBEAGOGDHTFL-JAIQZWGSSA-N	449.735	6.617	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1cccs1	2288609	FSDPOXVNVOCPIX-GXDHUFHOSA-N	426.494	5.338	50	40	IKGB	
N#C/C(=C\c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1	4182069	RDEYYYXJPPYPSI-XMHGGMMESA-N	431.404	5.025	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc(Br)c3)ccc2O)cn1	12362792	OVVWKMQCEXHCNI-LTKUWPENSA-N	438.285	5.037	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCCOc1ccc([C@@H](C)CC)cc1	16158121	DNIOUJWCXWOGSG-QUYZQLMHSA-N	442.943	5.102	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1C	16700530	FLDXJCQZCGRBGA-PGMHBOJBSA-N	440.547	5.212	50	40	IKGB	
COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N	20348299	PVQNNOOIEHXCCM-NRFANRHFSA-N	441.556	5.063	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc2ccccc2c1	34895812	SQQLUPGSDUMKBW-CFRMEGHHSA-N	436.467	6.400	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	96476319	BQVRGHMRXULVEH-UYRXBGFRSA-N	434.337	5.711	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(Oc4ccccc4)cc3)n2)c1	100860088	KIHIGKUPBQPEEF-KNTRCKAVSA-N	425.513	6.588	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)ccc1O	110187549	MPAQBOZXFMFJRS-AFPJDJCSSA-N	439.320	5.085	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1	408812024	NIFQOHUARUFGFO-ZMFRSBBQSA-N	439.298	6.083	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408818546	VXZOEACMHHTCGG-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)Nc3ccccc3C)cc2Br)cc1	408908422	CIVAPZBINNOZRZ-UUYOSTAYSA-N	444.354	5.966	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1	408912205	PIXCYVYFOUYSPS-VULFUBBASA-N	445.346	6.043	50	40	IKGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409241342	RJBYCNOBDGCLNE-MZJWZYIUSA-N	435.886	5.011	50	40	IKGB	
CCCCOc1nc2c(o1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1ccc(C)c(OC)c1	8742333	HZOFOPBIIGQXRU-OAQYLSRUSA-N	430.508	5.148	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3I)n2)cc1	9446242	VZDHWWYIHVRRSG-MHWRWJLKSA-N	428.298	5.787	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	12372219	AMDBOMFFOQCXGL-VNSAKUEASA-N	434.971	5.385	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1Cl	40846871	NMPNATLTQMBRIU-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Br	209404942	YJVKRYABZHSAQT-CXUHLZMHSA-N	431.127	5.596	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)c(C)c1	223605700	PIGHRIRZDIBJCL-DHJMFLCTSA-N	429.608	6.658	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2[C@H](C)CC1(C)C	260573337	YCNRCHQIYHUHNO-GBYSFBBLSA-N	429.564	5.810	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc2ccccc12	408742276	OCJOAIHTDMMSHF-ULJHMMPZSA-N	448.522	6.363	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)cc1	408781642	DKYBKRAGJUPEJY-HAHDFKILSA-N	441.531	5.433	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1O	408795773	WEPYUMSPZRCOMX-WOJGMQOQSA-N	434.879	5.179	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1	408843612	AHLYHZKGORRQBH-DHRITJCHSA-N	437.883	5.208	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1cc(C)cc(C)c1	408866205	GLEUCXYABCYWLV-OEAKJJBVSA-N	426.516	5.544	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C	408964189	BSHUAFXYIHSFRO-RDRPBHBLSA-N	438.575	5.828	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1C	408964263	CNOONBLNQWBWSP-MUFRIFMGSA-N	430.596	5.571	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1O	408981590	BUZGORJDWQLQBC-MLPAPPSSSA-N	435.705	5.061	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(F)cc1	409049645	XNIWCGGPQZUUNF-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
COc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	409221833	BDNUWZNOLGSHCA-STBIYBPSSA-N	433.511	5.615	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1	1097452	OOSLHNGBHUFKMK-LDADJPATSA-N	446.337	6.542	50	40	IKGB	
N#CC1=C(NC(=O)c2sc3c(Br)ccc(OC(F)F)c3c2Cl)CCC1	13959927	CTRQESOZNUTRIC-UHFFFAOYSA-N	447.688	5.610	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)o1	16347266	DFCCYKFWELDDAV-ZROIWOOFSA-N	437.839	5.371	50	40	IKGB	
CCO[Si](CCCCCCCCCCCOC(=O)C(F)(F)F)(OCC)OCC	198065892	NRDMCYHDWFINPP-UHFFFAOYSA-N	430.580	5.651	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OC	207831784	WZRVZUVMDOGKFB-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2F)cc1-c1cccc2ccccc12	408726784	UTBBIJFIBNFJOV-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C	408747811	UCLKFZOPBSUQOC-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1C	408874990	GZWZTCSVZBHZOO-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1	409223510	ZUALLTJMODZNIM-JXAWBTAJSA-N	449.373	6.454	50	40	IKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1	409390217	CBAWZMHELPOTCD-GTWSWNCMSA-N	445.522	5.419	50	40	IKGB	
C#CCCCCCCCCCCCCCCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1	585656358	ZGYBPEXMOMOEBG-UHFFFAOYSA-N	431.573	7.595	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	1189771	XFOLMPCBGYMRLG-PDGQHHTCSA-N	444.535	5.591	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1	2300267	YZZKNYZZNBAYQB-HYARGMPZSA-N	426.472	5.072	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1	2727115	RBBSRNRCTIHGDM-CPNJWEJPSA-N	425.463	5.383	50	40	IKGB	
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OC/C=C/c1ccccc1	2858882	BVLRERXVKIJJKH-FKECCLLJSA-N	431.513	5.126	50	40	IKGB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12	3146243	UTYZWOWHMCUTRT-VULFUBBASA-N	427.460	5.047	50	40	IKGB	
Cc1ccn2c(/C=C(\C#N)c3cccc(C(F)(F)F)c3)c(-c3ccc(Cl)cc3)nc2c1	8733635	LLSMMYISXUMKIA-QGOAFFKASA-N	437.852	7.046	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Br)cc1	13686175	OOFVEROTSXHVLS-YUMHPJSZSA-N	444.332	5.818	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1	40007600	BYGHTVMIBQUIOV-SYVPYPDPSA-N	444.506	5.588	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1	100860093	LWRCLSDTIIVBOH-FMIVXFBMSA-N	434.721	6.342	50	40	IKGB	
Cc1cc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)c2cc3c(cc2n1)OCO3	104208363	HDVHOUQMIVSZSK-DHRITJCHSA-N	445.350	5.002	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)c(Cl)c1O	408567893	GRIYFSPOWJPWIU-YHYXMXQVSA-N	436.668	5.286	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408754797	RYKZKKQFCKYJFC-GDNBJRDFSA-N	425.271	6.002	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc2ccccc12	408759274	BASZVJVNLIAACE-ULJHMMPZSA-N	446.506	6.167	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Br)c1	408760550	APKIEAUOOHUZRO-UVTDQMKNSA-N	438.237	5.163	50	40	IKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc2ccccc2c1	408764866	TZCLAJJUQLNAKK-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccccc2F)c1	408888555	XAHNOFHDPZWBPE-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2ccccc2c1	408890022	MRLGEQPWPKAXBW-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cc(C)cc(C)c2)cc1	408896546	OGMGSCUEOXSBSW-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1	408931317	JXADXJITYIBPSQ-VBKFSLOCSA-N	425.410	5.440	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)cc1Cl	408999309	UPSCATGGIXUNMB-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccc(F)cc1	409067186	BVZMJDUFOMMSTC-KGENOOAVSA-N	440.474	6.347	50	40	IKGB	
O=C(O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)ccc1Cl	16385947	FMZOHGPIDXXHRA-NUGSKGIGSA-N	437.666	5.369	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	40858345	IIOGBAMZJOGQBR-RCCKNPSSSA-N	428.488	5.219	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	71335757	MSINJVMBBKFBKZ-QQXSKIMKSA-N	441.443	5.051	50	40	IKGB	
FC(F)(F)Oc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	95671306	WIUBIRAVBXKLMN-UHFFFAOYSA-N	437.401	6.394	50	40	IKGB	
COc1ccc2nc(C)cc(N/N=C\c3ccc(N(CCCl)CCCl)cc3)c2c1	104208351	ZPHXBNLMXZOOHV-MYYYXRDXSA-N	431.367	5.282	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223561609	MQUZAGMMFTUMCK-NBZOHKLQSA-N	437.591	6.196	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1	408579560	HVOIJXNAXFNUAJ-GHRIWEEISA-N	430.312	5.825	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408745179	PWSLUPRMMAFTQT-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	408799673	HKJGRSUNJVPROZ-JWGRYVKWSA-N	441.531	5.055	50	40	IKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408814270	OTRMDRVJQQVPTK-BRFSQIRFSA-N	440.374	6.127	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccccc1	408853403	RYGOEEYCRFDANP-QRQIAZFYSA-N	440.499	5.513	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	409135989	XEGMVXSQSYBTAH-WGOQTCKBSA-N	438.980	5.860	50	40	IKGB	
CC(C)c1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1	409314470	GHHYZXKNDCVDRA-MOHJPFBDSA-N	446.550	7.045	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc2ccccc12	409316036	KKZWCGDSTSAEAS-BKUYFWCQSA-N	430.334	7.790	50	40	IKGB	
COc1ccccc1N(C(=O)CCCl)[C@H](C#N)c1ccc(OCc2ccccc2)cc1	2191113	SJCKHACEUVUBDZ-HSZRJFAPSA-N	434.923	5.501	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1	2206567	PFDGNLNERKZJEX-JOCHJYFZSA-N	434.923	5.370	50	40	IKGB	
N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	9183494	LTDCMBRNDSIVGQ-SSZFMOIBSA-N	439.471	6.185	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1Br	9971473	CEWCLTDGRAOALX-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
C=C(C)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	12250000	AAZNUKKKSAUONM-QHCPKHFHSA-N	431.561	5.339	50	40	IKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1	33622093	YWSFWBBTHYYJCZ-LGMDPLHJSA-N	449.869	5.042	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1	59201525	JIHLESWNOPOUBQ-DEDYPNTBSA-N	447.332	5.882	50	40	IKGB	
Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21	59534588	HWSVBHWECIJIQF-HMMYKYKNSA-N	441.556	5.314	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1	97994773	PGPLNCHXEDSISR-HMAPJEAMSA-N	430.935	6.390	50	40	IKGB	
C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](O)C1	195981755	MJLUKJALEPACMG-RVTXAWHXSA-N	434.693	5.628	50	40	IKGB	in-vitro
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1Cl	408726908	WMMRRQNSXWHTNI-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
CC(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1	408730043	DPZUOSGHRMCFAY-FYJGNVAPSA-N	446.381	7.579	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(N(C)C)cc1	408782675	YFXPZQWZCWFSBW-JCMHNJIXSA-N	442.563	5.493	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)ccc1Cl	409217244	TZYKBKQXTWLBCW-WYMPLXKRSA-N	431.275	5.194	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)NCCCc1ccccc1	409232690	OVEMWJMDILHMRN-FXBPSFAMSA-N	432.976	6.147	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1	409360911	GCHXGOLZDFWLEY-JAIQZWGSSA-N	433.891	6.111	50	40	IKGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	954253	LOTDWFIFEFLXIX-RIYZIHGNSA-N	432.307	5.725	50	40	IKGB	
Cc1cc(Oc2cc(NNC(=O)c3ccccc3)nc(-c3ccccc3)n2)cc(C(C)C)c1	2182896	DFIQQGSQWUWBIF-UHFFFAOYSA-N	438.531	6.125	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	6997808	MEUZWTVOAGAILJ-LCYFTJDESA-N	427.243	5.497	50	40	IKGB	
CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1	8448435	LRPHDJFLWMTNNT-KHRNMYNUSA-N	432.514	6.566	50	40	IKGB	
CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1	9631238	RXOHCWBSYIUNIL-UHFFFAOYSA-N	447.626	5.261	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OC	9934886	KAAOYDYHQPMXKK-ZSOIEALJSA-N	439.680	5.416	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cccc2ccccc12	20760452	HPKVPZGNFZLQQS-CVKSISIWSA-N	446.348	5.774	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Br)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	38611722	USMVITRIRORNNZ-LXGBQXIBSA-N	437.418	5.460	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1	59224857	SGTOGBPMSMUWGD-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	59334102	FDDIWOBWRWCDFU-ACAGNQJTSA-N	444.145	5.874	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1cccc2ccccc12	59447292	WJXGBOJMXMNYRS-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1cccc2ccccc12	59534041	LCASHWLEIAFUOM-HYARGMPZSA-N	438.483	5.244	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	98001594	XOTOBHWUPSTWBH-NCELDCMTSA-N	425.529	5.878	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	208248392	PPPVZYMOFSSRGR-SUZBBLJPSA-N	444.362	6.226	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C	208320948	ALADVEBNKMSYRN-PBEVGHANSA-N	432.395	6.178	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1	408744277	XQGVQGABTGJZKQ-UNOMPAQXSA-N	433.895	5.080	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	408791723	BMMURDSUEXQCPV-XSFVSMFZSA-N	446.890	5.251	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl	408792461	KAMAGBUHEFOXFN-CXUHLZMHSA-N	447.318	5.043	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cc(C)cc(C)c2)cc1	408865184	BJRZVSIRNAESML-BUVRLJJBSA-N	428.963	6.656	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1ccccc1	713585	YZEQEVLKCUNRNZ-NRFANRHFSA-N	437.465	5.646	50	40	IKGB	
COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1	1242481	CEDUAPSZEWHYOZ-SFQUDFHCSA-N	449.532	5.207	50	40	IKGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1	6924458	NOWYLIOCAIBKMQ-HMAPJEAMSA-N	430.573	6.939	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)O)cc1	8984222	FDHCHOLIHQDSHH-PXLXIMEGSA-N	426.472	5.072	50	40	IKGB	
N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccc3c(c2)OCO3)cs1	9138001	ZCFQCKCXHLOOIZ-WQLSENKSSA-N	444.285	5.417	50	40	IKGB	
CC(C)CCOc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1	12658634	REHKIKXOYGPLQE-HZGBGQKMSA-N	433.577	5.598	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1	59336068	SZTNJXIFVLRFGC-UYRXBGFRSA-N	438.358	6.509	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C	408676618	LKICCQXVYUWBOX-JVWAILMASA-N	434.971	5.420	50	40	IKGB	
O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408727411	WNRQDXHIZUSIMN-MTDXEUNCSA-N	432.483	5.162	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc(Br)cc1	408761309	DLJKMBNWKMCLKI-ZROIWOOFSA-N	428.669	6.125	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc(C)c1	408817151	SYNRAABIAKUHGC-FBTHGLLTSA-N	426.516	5.367	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408888581	XLIDFIFSUDEEHM-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc2ncccc2c1	408968502	ZTVHSKXZKZZESD-MOSHPQCFSA-N	426.907	5.841	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)c1	408987389	XFZFURAUOKGUMS-KGENOOAVSA-N	442.515	5.445	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)COc3cccc4cccnc34)cc2)cc1	409231259	JDSGWIGWVXSAQD-JVWAILMASA-N	427.529	5.224	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(OCC)c1OCc1ccccc1	409325112	WYYLHEAERNKXSM-ZXVVBBHZSA-N	445.562	7.610	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(Cl)cc1	409365402	ZFQGDEFIGRVSIP-PDGQHHTCSA-N	437.757	7.714	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1cccc(Br)c1	622712	HKFQCRGRUIPQDL-LJQANCHMSA-N	443.304	5.211	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C(\Nc1ccccc1)SCc1ccccc1Cl	3058758	GHXKIPRXODNCJD-HIXSDJFHSA-N	433.964	6.368	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	8606769	WDVWVHRQKATFMU-UNOMPAQXSA-N	443.909	6.336	50	40	IKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)c1	9015461	SQNSNPWAXBOYPV-HXUWFJFHSA-N	433.577	5.137	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CSc2ccccc2)cc1	59473618	XSMVPHBLKDMQGO-NDZAJKAJSA-N	446.575	7.049	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1C	408586560	CNJRNWNPMNSVOI-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1cccc(Cl)c1Cl	408591541	UTBAQVCEDAMQFQ-SSDVNMTOSA-N	442.437	5.437	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(-c2ccccc2)n1-c1ccccc1	408773076	SKXWNRUCFWZFIE-XLNRJJMWSA-N	437.930	6.652	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2cccc(F)c2)ccc2ccccc12	408883347	PJYVKFHFMGQIAI-HKOYGPOVSA-N	434.514	6.678	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1	408891670	UMUWAMBGXMSYHY-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1	408899152	ZMDHWINUKNUKDC-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc([N+](=O)[O-])c1C	408985452	WWHGLSBMAFEZLK-YVLHZVERSA-N	435.867	5.979	50	40	IKGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)o2)c1C	409022463	OXWLQDQWEOJBIU-ROTLSHHCSA-N	436.851	5.205	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NC1CCCC1	409192127	ARHMJBXFYQZDGO-BOPFTXTBSA-N	443.316	5.133	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1cccc(C)c1C	409257169	RINWYPUCFXLYQW-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1ccc(NC(=O)N(NC(=O)c2ccc(C)cc2)c2nc(-c3ccccc3)cs2)cc1	1415217	RQHBJOHSTXWMNT-UHFFFAOYSA-N	442.544	5.810	50	40	IKGB	
CCCc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	2771373	GDMYEZFLYVAXKV-MTDXEUNCSA-N	438.531	5.021	50	40	IKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	9331267	JPDSHSSJZCKGNT-OBGWFSINSA-N	443.528	6.072	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2[N+](=O)[O-])cc1	32124709	CNVQTBQBYLRHPA-MOSHPQCFSA-N	443.528	6.217	50	40	IKGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	58927818	ORFRCURSLKFPSC-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)[nH]c2cc1C	59137574	AQQQNPIANMWZPE-ODLFYWEKSA-N	434.465	6.670	50	40	IKGB	
Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	59336570	OZQLTUPOIHPOHR-UYRXBGFRSA-N	437.326	6.427	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1	408566220	FIFZPSQNSDOLOV-YVLHZVERSA-N	444.422	5.262	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C	408570248	TUSFVWRCMVDNQN-SXGWCWSVSA-N	431.427	5.091	50	40	IKGB	
CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OC(=O)/C(C#N)=C/c1ccccc1	408752993	NBCLFTOPVYBNJB-RCCKNPSSSA-N	434.561	5.005	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1	408791501	YINWEACPYCSGJC-UDWIEESQSA-N	443.890	5.345	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1	408854024	VTRIXBIEJARASC-PXLXIMEGSA-N	444.506	5.966	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1O	408883871	WZTQVEJNQKHYAH-WKULSOCRSA-N	448.529	6.089	50	40	IKGB	
Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccc(C)cc3)cc2Br)cc1	408915458	VPOVRLDOQGDKEI-WSDLNYQXSA-N	429.339	5.574	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1	409309693	LDOVQAGJWKDZMF-JCMHNJIXSA-N	425.915	7.145	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(O)c1	2091089	ABPYBIOSWCWMAP-JVWAILMASA-N	442.519	5.119	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1	3226246	JBWLRYVJBWVOIX-NDZAJKAJSA-N	438.506	5.858	50	40	IKGB	
Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1	8861193	CXFNLBOSIPXYPI-HGFFDCOOSA-N	442.946	6.385	50	40	IKGB	
CC[C@H](C)n1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc21	9260320	QGUCROFGKPBOMA-GIEPYWIESA-N	427.346	5.839	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1cccc(Cl)c1Cl	9324094	UQMOEBAPRWLAMO-ZRDIBKRKSA-N	427.243	5.497	50	40	IKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(F)c1	9846783	MRZOOSXFVPRHEH-BRJLIKDPSA-N	431.250	5.116	50	40	IKGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccccc3)nc12	13770392	CXBLNIJJQNJIJW-SAPNQHFASA-N	436.496	5.469	50	40	IKGB	
COc1ccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1	32116826	ZUWDYXGERPJMMC-QRVIBDJDSA-N	441.896	5.172	50	40	IKGB	
N#C/C(=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nc2ccccc2[nH]1	33730077	GEEGZYSXKSJCDF-QOCHGBHMSA-N	436.518	7.238	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)cc1	34704740	QZJNXKKKYCWAKT-ATVHPVEESA-N	447.834	5.013	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc(Cl)c1	59201563	KZOSUWLWEXSUHL-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc2ccccc12	59292054	XSFYVNLSRJBKFI-CJLVFECKSA-N	438.914	6.618	50	40	IKGB	
CCCC[C@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682089	YOEXYNDIPQDOLJ-BQBZGAKWSA-N	430.092	5.839	50	40	IKGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)P2(=O)N2CCCCC2)cc1	100408358	PMJBSMQYOHMJKM-UHFFFAOYSA-N	443.528	5.006	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl	108199035	JKCXPCJPGJPZJR-XDHOZWIPSA-N	431.363	6.176	50	40	IKGB	
COc1ccc(OCC(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1	260569572	RAOFRIXYCHRVBI-KROWPABHSA-N	437.584	5.033	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c2ccccc2n1Cc1ccccc1	408780525	CUMHYYMYRVRSDX-KQWNVCNZSA-N	449.554	6.331	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1	408820790	YSPGOQTWFSXQTB-QNGOZBTKSA-N	446.909	6.332	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)NC1CCCCC1	408830995	ZEHSHLMHIRBBGC-LDADJPATSA-N	429.347	5.928	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1	408849502	WGNOJEANDZKDIG-ZMFRSBBQSA-N	449.894	5.044	50	40	IKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408888255	YACMIOGTEIFGFB-NBVRZTHBSA-N	432.863	5.113	50	40	IKGB	
CCc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)cc2c1	650447	RZGBKBHRVAPNSY-QFIPXVFZSA-N	441.922	5.163	50	40	IKGB	
CCSS(=O)(=O)c1ccc(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	8432945	AHPFIXYLPUHZAK-BUVRLJJBSA-N	433.639	6.180	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	10058862	QDOYXZNTEWJCDL-HDFLIFARSA-N	445.346	6.296	50	40	IKGB	
O=C(N/N=C(\c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1	15163315	JAMMBUQZWMKRON-ZZIIXHQDSA-N	435.930	5.652	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cn(CCOc4ccccc4)c4ccccc34)[nH]c2cc1C	33663069	ZYPGCEOLGOOINZ-PGMHBOJBSA-N	432.527	6.278	50	40	IKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)[C@H](C)Cl)[C@@H]3c2ccc(OC)cc2)cc1	33915209	GYNVNGXUPLDWFT-HKIFPZPMSA-N	438.955	5.454	50	40	IKGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	102447626	LNIVCNBOIOJLGL-QQCGZGAKSA-N	449.554	5.708	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1F	107614815	NKXOJJROLZRZHO-BOPFTXTBSA-N	426.260	6.370	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1Cl	107776361	DKWOSTCJICTJJP-WQRHYEAKSA-N	442.317	7.174	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc2ccccc12	408527283	BTAHSKNUURLJLP-IWIPYMOSSA-N	425.326	5.545	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC	408581672	YQAFMGLTEUQSQB-UDWIEESQSA-N	435.907	6.009	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)cc2)c1	408744282	DTAHPPNNOXMALB-XYGWBWBKSA-N	448.522	6.363	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1sc2c(c1C#N)CCCC2	408800245	LBCZBIVZAIRNCL-WMWOOBNHSA-N	446.620	5.508	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1	408801842	CGFIOJWHPSYYNL-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1cccc(Cl)c1	408893350	FEDMDYYHYGLELG-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1c(C)cc(C)cc1C	408987889	ZNIMJCLEAPZROB-HZHRSRAPSA-N	440.543	6.135	50	40	IKGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	409099178	POROJFPTIWXHRT-OYKKKHCWSA-N	426.925	5.029	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1cccc2ccccc12	409198682	CXGULQYZKQDMGC-AKLYFZKISA-N	449.510	5.185	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)cc1	409242489	NYIAUZHXGFIXOR-ZVHZXABRSA-N	431.473	5.565	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	409366857	ZNXHXXNDZJHBRM-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)s2)cc1Cl	954305	QZBDUMMLYKRORR-LZYBPNLTSA-N	428.344	5.895	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1Cl	5329382	HLJHLOHQXUXNOF-ROTLSHHCSA-N	446.721	5.663	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1	8860882	XPYPUPSAIJLKCF-WQLSENKSSA-N	428.231	5.707	50	40	IKGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1	8951200	XHSSBZQFGHXZBO-RGEXLXHISA-N	441.537	6.934	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2s1	27018055	JMZUNUMVRBOIPN-JXAWBTAJSA-N	438.943	6.867	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	35198262	RWXIESZBUMFLDD-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1	59535782	CIGCSYYWRPDDRV-DEDYPNTBSA-N	432.907	5.863	50	40	IKGB	
CCC(C)(C)OOC(C)(C)C#C[C@@H](/C=C(/Cl)C12CC3CC(CC(C3)C1)C2)OC(C)=O	105348712	PLCZOUFQHLCKME-TVXBNTCXSA-N	437.020	6.176	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)nc2c1	107999175	FMWYRCCRVBOASI-ZHZULCJRSA-N	436.946	6.900	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408588864	KFOVDGWCIQVJOA-BRJLIKDPSA-N	434.754	5.747	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	408797984	USUTVMQIRPVKAH-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c3ccccc32)c1	408809292	KXUYNLTVGHXNCO-XIEYBQDHSA-N	433.555	5.572	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)oc12	408970089	AHCABXWFRZNHSF-BHGWPJFGSA-N	429.259	5.772	50	40	IKGB	
CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl	409373175	RVDOVCZHMLOSTD-OAQYLSRUSA-N	439.943	5.495	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)c(OCCC)c1	8385161	IFIBEHVSKRVQMS-TURZUDJPSA-N	446.547	5.607	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1	8811062	QZNYWQRFMKOOEI-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	9445818	JVVPJUBZVUXOIQ-GXDHUFHOSA-N	441.310	5.766	50	40	IKGB	
Cc1cccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1	20240672	NTIGXRIZODEARV-ZTKZIYFRSA-N	425.576	5.214	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	59254489	YTIYBSKKGTUDLV-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(Cl)c1	59501721	JLEPPWVAWPTYOC-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c(C)c1	102883712	AGVNBRSSOYMNSH-JOCHJYFZSA-N	447.560	5.846	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C1(CBr)OCCO1	118914685	PXLRPEYMUKKRQS-ITZNTROMSA-N	441.450	5.144	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(Br)c3)cc2[C@H](C)CC1(C)C	208321248	OHLFQXVFKFAAOK-FRQJIFLKSA-N	442.401	5.634	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(CCCC)cc1	408539784	JQJKLFJIHBMOOH-RRAHZORUSA-N	443.031	7.186	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)c1	408745514	NCUUCXQDDXVJSR-NDENLUEZSA-N	446.478	5.358	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1	408808866	FUQRPJUQZBBRFN-PGMHBOJBSA-N	430.527	5.625	50	40	IKGB	
O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12	1651139	WPMSALVSBQFVIF-UHFFFAOYSA-N	432.936	5.187	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21	3241120	JXABOKCSOFSAGV-GHRIWEEISA-N	446.915	5.620	50	40	IKGB	
Cc1cccc(C)c1OCCn1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21	9763845	KUYSUMMIOMNUAS-CJLVFECKSA-N	437.499	6.310	50	40	IKGB	
CCOc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC	19648237	JWNJZGYKYFQTBK-IQGLISFBSA-N	448.950	5.632	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	20197465	HNRCXBPGJBDELN-YDZHTSKRSA-N	427.844	5.061	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1	59249121	YSPVMOGIYSEHJH-YVLHZVERSA-N	449.894	5.000	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1	100703136	GXGZJPYIVQXXIV-FQEVSTJZSA-N	439.924	5.574	50	40	IKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OC	107705463	KBGFSHYPMYVAKY-KPKJPENVSA-N	433.352	5.733	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OC	408527911	GRTRQFUZRRXVDH-ZSOIEALJSA-N	437.131	5.683	50	40	IKGB	
CCCOc1c(I)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	408581089	UIRMRBPGQIUCFX-LICLKQGHSA-N	433.289	5.461	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408792052	HCOKQZFIDALFGO-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	408792697	BZNHWCZVCVXLKI-LZYBPNLTSA-N	447.318	5.098	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C)c(C)c1	408805579	GXMMZIFSBUVCCW-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408850441	NTDHWJJTOBDHIK-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC	408876757	NJKCCGSGGSLJFA-RIYZIHGNSA-N	438.833	5.702	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408885487	ASHUYJHUZQRXMT-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1	408925005	PZXHXQOVAVWUNT-LDADJPATSA-N	434.883	5.510	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409227568	ZPZUYTXSFSIIQR-LQKURTRISA-N	448.482	5.515	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)c1	409255064	KIATYGGTJYTTCX-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
Cc1ccccc1C(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1	1512566	CRKMJHFTVITCTQ-UHFFFAOYSA-N	433.309	5.125	50	40	IKGB	
CC(C)c1ccc(C(=O)[C@H](Br)[C@H](Br)C(=O)c2ccccc2)cc1	1672157	ZFEPJPWLJHRYCN-DLBZAZTESA-N	438.159	5.403	50	40	IKGB	
N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	13774938	WOIVSNCSJZINGD-RGEXLXHISA-N	448.378	7.760	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(C#N)cc1	15910230	YMAGMUJCULSTOW-JVWAILMASA-N	442.569	5.614	50	40	IKGB	
Cc1oc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)c(C#N)c1C	35046042	TZVQNTIMKCDEPJ-VCHYOVAHSA-N	430.558	6.442	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	59117278	CUUJTGJGKNGSEA-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1	59201545	SOWXUZXTRNZYBG-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
CCCC[C@@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682090	YOEXYNDIPQDOLJ-RQJHMYQMSA-N	430.092	5.839	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O	100500829	HVBHGSAKJPNTEH-LADGPHEKSA-O	447.124	7.179	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	408531193	NLPWQSZRGVSJAV-UYRXBGFRSA-N	435.321	5.707	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC	408539912	KLSPEQUNQSQOAW-HKOYGPOVSA-N	434.580	6.048	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1	408726660	URHWBMYQMLNEHU-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)cc2)c1	408745816	PHVNNUMKFIKYAK-ULJHMMPZSA-N	448.522	6.363	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccccc1Cl	408800305	LTSAUEFGFFEWLZ-DAPWMZFQSA-N	445.994	6.253	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1Cl	408809581	HMFBYDLAFXSCBT-OVCLIPMQSA-N	433.733	5.744	50	40	IKGB	
O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(CSCc2ccccc2)cc1	408861797	DDBXGZIQMPCKGL-VULFUBBASA-N	448.613	5.378	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1	408883913	RVAARSOHPXZQOA-HMMYKYKNSA-N	447.332	5.594	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1	408890316	RGMNNGOZSGEXLE-GZTJUZNOSA-N	437.282	5.758	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1	408963538	OHUIZOUJJOWWIY-MZJWZYIUSA-N	429.442	5.276	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1sc2ccccc2c1Cl	1294157	GALSAPPLZHPIAH-FOKLQQMPSA-N	429.332	5.466	50	40	IKGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)O1	2197106	DXAFIBWRASZINF-KBDRGJQMSA-N	428.488	5.010	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cn1)C(N)=C(C#N)[C@@H]2c1ccc2[nH]ccc2c1	31818259	GWZRFLCJUCZINW-QFIPXVFZSA-N	443.938	5.157	50	40	IKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Cl)c([N+](=O)[O-])c4)nc(O)c23)C1	33595899	NHCVKLXKKQOAMP-VPMLRQHESA-N	426.885	5.147	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223547825	CRJRKESPBBKEBN-MGMNCFQJSA-N	443.591	5.870	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Br)cc1	408581045	SZBJJKMKDQFODS-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)c1nc2ccccc2[nH]1	409058107	RGROTIIBYWNDPY-CXUHLZMHSA-N	438.289	6.652	50	40	IKGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3c4ccccc4cc4ccccc34)CC2=O)cc1C	409165733	BGYZGUJFTJCOBK-ZMRKYAEKSA-N	435.527	5.113	50	40	IKGB	
Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1	409193700	LJSJXTMCWDKBSU-MZJWZYIUSA-N	444.922	5.006	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	409228194	VRAJHIMVGKMAOO-GXDHUFHOSA-N	441.365	5.728	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(F)c1	409391659	JEDUYAXTUAGAOU-LCYFTJDESA-N	434.717	7.050	50	40	IKGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1F	872802	CFJLFLFKEUMJDZ-KNTRCKAVSA-N	425.463	5.405	50	40	IKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c(C)c1	2310443	FGUWWCDYWPBIIP-QFIPXVFZSA-N	447.560	5.006	50	40	IKGB	
O=C(N/N=C/c1ccccc1OC(F)F)c1ccc(COc2cccc3cccnc23)cc1	3275171	JXTZRTCWDAEOGH-WKULSOCRSA-N	447.441	5.179	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1	9281992	DHNJOBAPKZRHPO-KRWDZBQOSA-N	427.291	5.000	50	40	IKGB	
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1	9360002	UCKVPVMFMFLKAQ-RDRPBHBLSA-N	446.510	5.573	50	40	IKGB	
CCC/C(=N/NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1	9438789	OMUFAPCPEOUHJB-QYQHSDTDSA-N	441.358	5.550	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	10058860	RRRLESWBKUIQIB-WEPAEKJRSA-N	445.346	6.296	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	14408776	GKABXKDQWRHEIV-LQKURTRISA-N	445.950	5.353	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCCOc1ccc([C@H](C)CC)cc1	16158124	DNIOUJWCXWOGSG-PUMYGXPMSA-N	442.943	5.102	50	40	IKGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528780	BIFXWQYRIXDXBH-UWTATZPHSA-N	441.981	5.211	50	40	IKGB	
COc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br	109026598	DVNBNROCNWMXRX-IUXPMGMMSA-N	443.138	6.438	50	40	IKGB	
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C[C@@H]1I	118935613	BRIGFVPKSRVNOO-LWYCANNGSA-N	444.397	5.764	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	209494314	XEYZWUPWVNLFPF-UDWIEESQSA-N	432.907	5.739	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc2ccccc2c1	408548941	NVZIAXLYUSSPLF-USHMODERSA-N	434.542	8.060	50	40	IKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1	408768504	XKVDWHZLPLZRFC-DICXZTSXSA-N	431.923	5.430	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cc(C)cc(C)c2)cc1	408881849	NZZVGTZKWUNTQG-KOEQRZSOSA-N	438.527	5.617	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1	408922704	GCHGAGKHMCXJJG-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1cccc2ccccc12	409194858	DEISRRREWPUYIP-WGOQTCKBSA-N	430.529	5.182	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1Br	409239039	YVMAQCJCHODZPU-XESZTULISA-N	448.364	5.641	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cccc2ccccc12	409320104	OZZXDPVZDRLHJH-CJLVFECKSA-N	429.479	6.815	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	409364327	OZVYOZUEPAGMJW-STBIYBPSSA-N	443.978	5.907	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OC(C)C	9235154	PUIHAMABUOVFRJ-RIYZIHGNSA-N	429.339	5.919	50	40	IKGB	
C=CCc1ccccc1OCCOc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1OC	9425585	ARZNCMARHUDGIU-ZXVVBBHZSA-N	445.519	5.037	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28216198	YSXLERQCHKUIBN-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\C(Br)=C\c2ccccc2)cc1	30802719	PJCUCTNFONXPRO-KMXYBUAUSA-N	425.370	5.626	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(I)cc1)c1ccc2ccccc2c1	35224869	ISTKRNFECCDPEL-HKWRFOASSA-N	446.291	6.299	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	59232926	HNGJQZNQLOGFNX-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)cc1	408762701	KXMPAIDQFOHWAZ-JCMHNJIXSA-N	438.914	6.618	50	40	IKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)o2)c1	408879675	DMURXJIENGDXJI-MSXFZWOLSA-N	431.275	5.194	50	40	IKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl	408886983	NGHJNXXWFFPLJE-ONNFQVAWSA-N	426.643	5.109	50	40	IKGB	
CCOc1ccc(O)c(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1	3083366	MRNIXXIRYSWNAR-CVKSISIWSA-N	426.557	5.034	50	40	IKGB	
O=C(COc1cccc(Br)c1)N/N=C/c1c2ccccc2cc2ccccc12	3167375	LRZTYBFFDVUAPI-AFUMVMLFSA-N	433.305	5.285	50	40	IKGB	
CCCCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1	3660719	HHTCCPDSSNSPER-WPWMEQJKSA-N	436.939	5.862	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=S)NC2CCCCC2)cc1	8781231	MYVLEIRTUFKJMU-ZMOGYAJESA-N	449.407	5.376	50	40	IKGB	
Cc1cccc(C)c1OCCCOc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1	8984180	NOJBGLHZAVGCQW-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)c1	9015460	SQNSNPWAXBOYPV-FQEVSTJZSA-N	433.577	5.137	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCc1ccccc1Cl)=C(C#N)[C@H]2c1cccs1	9046813	ITDDEOMGCTXKIR-FQEVSTJZSA-N	441.021	6.400	50	40	IKGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2c1	12499603	HIFWVFPZIWDXAA-FDAWAROLSA-N	446.510	5.613	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1	12857956	RDQYODVVKYXHMO-MXAYSNPKSA-N	449.850	5.337	50	40	IKGB	
CCC/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1	33861387	LPFKCXYVRHOWNG-FAJYDZGRSA-N	427.935	6.489	50	40	IKGB	
CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	103528551	IRJBIQJUZBENJY-QGZVFWFLSA-N	434.368	8.224	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1	108028874	JCGDIIXMXWUQQQ-BKUYFWCQSA-N	433.891	6.080	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1	408746051	QLLIOOBZYWENCZ-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1ccc(Cl)c(Cl)c1	408796186	DULZIYDVHJLMDJ-BFERYNQYSA-N	447.362	5.793	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408871011	WYTHNDHECXZQPG-RIYZIHGNSA-N	438.833	5.702	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2)c1	408936458	JXAHNWLFCIEINO-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
O=C(O)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1	1848434328	NLOONBNGASBANY-UHFFFAOYSA-N	442.295	5.181	50	40	IKGB	
COc1ccccc1/C=C/C=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	3307451	AAVPZCHXLVWUDA-AYCHRALESA-N	436.511	5.856	50	40	IKGB	
Cc1cc(C)cc(OCCCOc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)c1	9730681	YMSQZTWJEYNANT-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)c1	20194795	ZLMKHDFTXUZVNC-AFUMVMLFSA-N	438.369	5.166	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cccc(Cl)c1	26123453	RYYQBNODIUQPBV-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c2)cc1	59224918	IIIMXZJABSBYJG-XQNSMLJCSA-N	432.479	5.913	50	40	IKGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2C)cc1	96585842	UNRWNVRHHIQJEG-BUVRLJJBSA-N	448.526	5.751	50	40	IKGB	
CCCCCCC[C@H]1CCC/C1=N\NC(=O)c1ccc(N(CCCl)CCCl)cc1	104048527	KSBXSPHUDZRVJZ-KYVIQDPYSA-N	440.459	6.217	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	208245458	BJGUXLPYPLXGBD-KWRYHKOTSA-N	434.367	5.245	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C	408591272	SNJDOJZOYWYQGE-LQKURTRISA-N	445.950	5.602	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1ccc(Br)cc1	408880921	JEOKXYHHNFAVJZ-XMHGGMMESA-N	435.296	5.725	50	40	IKGB	
C#CCn1c(C)c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409046487	KITUDDOPNSKXTI-NDZAJKAJSA-N	442.522	5.562	50	40	IKGB	
CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1	409368073	MSYHOSQYLGKQEE-JOCHJYFZSA-N	435.593	5.315	50	40	IKGB	
Cn1nc(C(F)(F)F)c(COC(=O)C(Cl)Cl)c1Sc1ccc(Cl)cc1	1388113	ZHACRGJGPGESTM-UHFFFAOYSA-N	433.666	5.090	50	40	IKGB	
N#CC(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(O)=N/c1nc(-c2cccs2)cs1	3207643	VTEZCKFNGQMWNO-GXDHUFHOSA-N	448.485	6.235	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1	8893483	GZCLRIPZOHBYEQ-LCYFTJDESA-N	427.243	5.497	50	40	IKGB	
C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)NN=C(c1ccccc1)c1ccccc1	12855607	DSYSOKQMNOHRED-OAHLLOKOSA-N	429.372	6.043	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	27519743	KQMRLVZOHQGZEU-VULFUBBASA-N	448.320	5.425	50	40	IKGB	
Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Cl)cc1	33772245	YIQVWOHRFMLLCI-ZHZULCJRSA-N	427.891	6.624	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1O	59565677	GWJIJLRPHJPCIG-CCVNUDIWSA-N	434.502	5.699	50	40	IKGB	
Clc1ccc(Cl)c(N=P(Nc2nccs2)(c2ccccc2)c2ccccc2)c1	102130869	MQBCFJFAUDXYNQ-UHFFFAOYSA-N	444.327	6.961	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	108220380	ZFOLANJYPFJITR-ZMFRSBBQSA-N	439.298	6.179	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1	408793174	DFFWIDXHEGMPTJ-FYJGNVAPSA-N	430.479	5.521	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1	408885652	DKGNXIWZGDQGIH-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1sc2cc(Cl)ccc2c1Cl	408969308	LKURLZFMLXZZKB-WKIKZPBSSA-N	449.362	7.278	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccccc1	409132509	JWVVCAPQIAZRNM-JHKMYFMNSA-N	434.561	5.214	50	40	IKGB	
Cc1cc(C)c(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c(C)c1	1739457	SANMSYUPCDAQOR-HOTGVXAUSA-N	425.164	5.450	50	40	IKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)cc2Cl)nc1-c1ccc(C)cc1	9019032	JPCHNSAZVSEHLW-CXUHLZMHSA-N	428.344	6.448	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Br)c1	9144447	PWBQKRWONJJPLB-GXDHUFHOSA-N	430.758	6.511	50	40	IKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)[C@@H](C)Cl)[C@@H]3c2ccc(OC)cc2)cc1	12504711	GYNVNGXUPLDWFT-YFVGYPLZSA-N	438.955	5.454	50	40	IKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	13576197	XKGDPBSOOAMXKB-GTPWMTBTSA-N	438.980	5.691	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1	13586187	NRXFXXMRCQULAN-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(F)cc1	33741092	NDJSXDYZUQGKHZ-ZDLGFXPLSA-N	447.897	6.316	50	40	IKGB	
CC[C@H](Br)C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	38600295	KNOWDHPHAZOWLT-NRFANRHFSA-N	439.349	6.201	50	40	IKGB	in-vitro
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1	59272176	UPOKSAXOFRPEGV-HMMYKYKNSA-N	439.490	5.773	50	40	IKGB	
CCCCCCCCOc1ccccc1/C=N/NC(=O)c1cccc(Br)c1	100044483	RREPUIFEHNNWOZ-JJIBRWJFSA-N	431.374	5.952	50	40	IKGB	
CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	103528547	IRJBIQJUZBENJY-KRWDZBQOSA-N	434.368	8.224	50	40	IKGB	
N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1	408542231	JZRKXDDSHIJDKW-SFQUDFHCSA-N	434.904	5.735	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)Cn1cnc2ccccc21	408691784	QAJHTVMFBIVHAM-MOSHPQCFSA-N	444.332	5.985	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(C2CCCCC2)cc1	408734189	FNQAXGPFKDSXHX-OCEWKHMESA-N	431.580	5.344	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1	408744193	JMQSMOBSNURVTJ-ACCUITESSA-N	438.237	5.163	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c(C)c1	408797614	SHDBIJGVNQQUKP-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	408806254	AXFXUTUGIXSFRY-CAPFRKAQSA-N	426.472	5.127	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408962368	HUSZOLPBEWCPFQ-KKMKTNMSSA-N	449.860	5.539	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408964293	CSMXHTJATSKJPV-MZJWZYIUSA-N	442.390	6.462	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409212342	QCDLNNDYOYVDBP-AQTBWJFISA-N	440.434	5.391	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1F	949376	MVZCLJTZAJHFAO-FMIVXFBMSA-N	434.776	6.304	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	3109515	YNWBMKYWEPSKNU-DHRITJCHSA-N	445.371	5.815	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1	12140021	JVKFEZAOHNQSHD-VGOFMYFVSA-N	443.322	5.360	50	40	IKGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	16050371	XFBUFWVZTTZEFG-XSFVSMFZSA-N	446.890	5.251	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(C)c1	20194783	RRODNMUDKLADNP-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
O=C(N/N=C/c1cccs1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	32139002	VWDLQCYFCVAODM-ZTKZIYFRSA-N	447.563	6.637	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	33568114	QPNNKAXAZGGRNH-FMIVXFBMSA-N	428.231	5.707	50	40	IKGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	40476953	NXXKMRSQGWXCEM-RVDMUPIBSA-N	440.322	5.336	50	40	IKGB	
C[C@@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](O)C1	204468957	MJLUKJALEPACMG-FPGSIAFESA-N	434.693	5.628	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3O)cc2-c2cccc3ccccc23)cc1	408728108	ZXTRLUSYOPFIPO-RDRPBHBLSA-N	446.510	5.470	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	408793299	DUUCTYDPUXLVTI-CJLVFECKSA-N	449.510	5.412	50	40	IKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12	408878683	CTIKNMRNQQOGPR-NDZAJKAJSA-N	444.490	5.976	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C	408935631	IECUVDMGQCWKRI-BKUYFWCQSA-N	427.460	5.336	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(F)cc1	409244142	YMESUCAIVNBTBL-KQWNVCNZSA-N	444.506	5.069	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl	3084634	YSPFZEJSUROTFT-DHRITJCHSA-N	445.371	5.815	50	40	IKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1	19817693	BBQAPMHDSMDJFE-GSTVHYHFSA-N	438.358	5.474	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccccc1C#N	33622754	ZWNRUVWPLYUSOZ-XKZIYDEJSA-N	434.499	5.785	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1	33728514	QKESENPYXRRFDF-WYMPLXKRSA-N	445.306	5.002	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	33853392	ADCOPLZZNHCVOV-UXHLAJHPSA-N	447.538	5.924	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	58917173	AWUNOARWXGYHAT-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	59116995	GCULHVLTJHJDIN-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	98001595	RSQOAANIBCPLNR-OVVQPSECSA-N	449.422	7.277	50	40	IKGB	
O=C(OCCCCCl)[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	227250837	PKKSIDRANDIEFY-DIMCTHFVSA-N	435.389	5.400	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408538556	ORWPJLBMQYQWHE-ATVHPVEESA-N	447.362	6.507	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	408541415	CNQHRQJSTNOQPV-ATVHPVEESA-N	434.904	5.735	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)cc1	408799873	IWCLZPIFHGSVSM-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1sc2c(c1C#N)CCCC2	408803299	NJHVWFGSCAGCGF-LDADJPATSA-N	444.535	5.591	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1	408804303	XGYPHEMXMLZLCM-HSJQUHBMSA-N	426.516	5.449	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(C)c1OCc1ccc(F)cc1	408856298	JVLLUKQKAJKHHT-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc(Cl)c1	408878576	APPQLLFUDKPMMP-WOJGMQOQSA-N	427.891	5.946	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1	408881108	JIUPLZMNVMYRJQ-UDWIEESQSA-N	448.881	5.402	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	408891773	VEFZLOYCKKZAFC-HMMYKYKNSA-N	438.458	5.809	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	409225982	SARQXHDDWKTDDI-ROTLSHHCSA-N	447.705	5.630	50	40	IKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1	2312561	ONAODNWFMQDTRF-XMMPIXPASA-N	443.572	5.104	50	40	IKGB	
COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3cccc(C)c3)CSC2=C1C#N	9693581	OUMIJLHBKAVRCQ-NRFANRHFSA-N	441.556	5.376	50	40	IKGB	
N#CC1=C(N)N(c2ccccc2Cl)C2=CCCCC[C@H]2C1(C(F)(F)F)C(F)(F)F	12375631	MZNKXXPNPUPEHA-LLVKDONJSA-N	435.799	6.039	50	40	IKGB	
Cc1ccsc1/C=N/c1c(C#N)c(/C(C#N)=C/c2cccc(F)c2)nn1-c1ccccc1	16363153	RSRKTAYRNWDJFU-PARHUGOZSA-N	437.503	6.068	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)C(F)(F)F)c1	17094372	LAJSCTZSVLMARK-MBTHVWNTSA-N	425.410	5.008	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1cccc(F)c1	33662648	CZLFIDBNKZCTGT-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C)cc1	59334820	ISOLXWMKDMBRJY-NDENLUEZSA-N	439.353	5.060	50	40	IKGB	
FS(F)(F)(F)(F)c1cccc(NC(=S)SCc2ccc3c(c2)OCO3)c1	103981752	HRZLAIPYVIVIFZ-UHFFFAOYSA-N	429.457	6.703	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1	107797436	DUPBVSODMAXRAI-PDGQHHTCSA-N	439.471	5.143	50	40	IKGB	
COc1ccccc1OCC(=O)N/N=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	260565399	IKQKGSZYVXKYQQ-KROWPABHSA-N	437.584	5.033	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc(C)c1	408566167	DVAQRCBLXSIOMB-NDENLUEZSA-N	427.479	6.052	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cc(Cl)ccc1Cl	408820298	VGYFZQGKKDKSKT-ROTLSHHCSA-N	426.303	5.911	50	40	IKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408881099	MABGKHRTUCPMKO-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1	408893892	GRSVDZZHIJNKSU-OGLMXYFKSA-N	438.483	5.140	50	40	IKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1	408968072	WHDWYSDEBCVTDJ-MWLSYYOVSA-N	440.547	5.042	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Br)c1O	408982742	FCPHTXWGDIGOHE-VZUCSPMQSA-N	426.097	5.316	50	40	IKGB	
N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)Nc1cccc(C(F)(F)F)c1	409220766	FLDIXTNAKMURAO-ONNFQVAWSA-N	445.622	5.373	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Br)c1	8836913	PPQDCKLGEQLBPN-GXDHUFHOSA-N	441.310	5.766	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1	9444984	WHJVUZJLJVABNQ-LZYBPNLTSA-N	441.350	5.913	50	40	IKGB	
Cc1cc(C(=O)N/N=C(\CCCCl)c2ccc(Br)cc2)c2ccccc2n1	19642114	FDHCSSRGGSHODL-NCELDCMTSA-N	444.760	5.459	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1C(=O)O	27532515	URDBQGICHOETNO-UKTHLTGXSA-N	427.243	5.497	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2ccccc2Cl)c1C	28215984	AHUDZDHHVQUKDE-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC(C)C)c(OC)c1	59201065	PYPRTKCCNLQKDK-LICLKQGHSA-N	443.341	5.353	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	59232996	UFHRFKBCYBZRPZ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	98001166	FVDGXUQIDJAKGX-TURZUDJPSA-N	448.563	5.814	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc2ccccc2s1	137804712	VSQASPWQVFANFY-MYYYXRDXSA-N	449.601	5.871	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1C(F)(F)F	408603603	RXWRXDQABIYIJQ-MRUKODCESA-N	427.209	6.036	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1	408795973	NEUOHGKYNSOSLM-FYJGNVAPSA-N	446.934	6.036	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)c1	408816393	YMBUHSMQKQAPIJ-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cc(C)cc(C)c2)cc1	408886203	FEMQVOGWMXPRJF-HYARGMPZSA-N	442.515	5.445	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(F)c1	408967040	OXFRSRYUBCIUCV-KKMKTNMSSA-N	442.277	5.347	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1	408986813	NFCUALJVHAGECJ-ODLFYWEKSA-N	446.890	5.502	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	409227212	UJYWMZVLLUODMI-MXAYSNPKSA-N	427.287	5.285	50	40	IKGB	
Cc1cc(C)c2cc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c(Cl)nc2c1	786857	UKPYEXWNWJNBFX-QFIPXVFZSA-N	441.922	5.217	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1	800310	QJGBGGXLHMAUBK-LJQANCHMSA-N	428.410	5.416	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12	3334063	NFUURWVCCLORLA-HMMYKYKNSA-N	437.474	5.472	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1COc1ccccc1Cl	8873228	AZVYXTLRORNJNO-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1ccc(Sc2oc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Br)cc1	9262744	XNZIRWLQLAKHNR-GXDHUFHOSA-N	436.334	6.442	50	40	IKGB	
O=C(N/N=C1/CCCc2ccccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	15912518	XPSSWIHYSDCNNX-OLFWJLLRSA-N	425.919	6.026	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	59117237	NJHZQAXSKVBAHM-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C	59336328	JSSNKNPOZFXOPY-UNOMPAQXSA-N	438.358	6.563	50	40	IKGB	
ClC1[C@H]2c3ccccc3[C@@H]1c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1	104105374	WAEZPFVZRQEOQG-SWRQNJEFSA-N	428.962	8.372	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	207863593	HCWOREAWBMCFTG-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2C(C)=CC1(C)C	208505282	BJWGSNCEJGYOAC-MBTHVWNTSA-N	429.486	5.420	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1	408807893	IHANRLWASICLBE-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(C)c2)c2ccccc12	408808747	FXTGUBZSGVPDCI-PXLXIMEGSA-N	435.527	5.861	50	40	IKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408814335	ZBXQIYFFVQOJGI-CLXYIWAZSA-N	440.374	6.127	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(F)cc1	408824417	QDORRLRVWPYSIU-QNGOZBTKSA-N	430.454	5.818	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	408855475	FLTMYUMVMUBXBA-UVTDQMKNSA-N	441.270	5.806	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cc(C)cc(C)c2)c1	408883320	UZPKOXBDRMRSKQ-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Br	408995379	BWZYXZRPSNGYOQ-FMCGGJTJSA-N	430.733	5.274	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)cc2)cc1	409232304	NTVRZODUXJELDA-MTDXEUNCSA-N	439.584	6.318	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc2c(c1)OCO2	409361424	HFRVDZLSTAUQEN-GRSHGNNSSA-N	434.289	5.821	50	40	IKGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1sc2ccccc2c1Cl	1436884	GGLQAOQPINDIGA-UHFFFAOYSA-N	446.315	5.246	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccn(Cc2ccc(Cl)cc2Cl)n1	2738481	MFMMTZLHFMJIDS-NUGSKGIGSA-N	442.133	5.309	50	40	IKGB	
COc1ccc2cc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c(Cl)nc2c1	8400379	UKCVTJYXBBKXGW-FSJBWODESA-N	434.348	5.183	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3Cl)nc2c1	8450401	KHUZVOXDQZZGRM-WOJGMQOQSA-N	434.326	6.821	50	40	IKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1	9693314	YGZJBBINHAEENF-MRXNPFEDSA-N	427.932	5.261	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1	59474282	WZENZMJRIXLLPY-BUVRLJJBSA-N	439.924	5.695	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1	408584067	ZVYRVFCYKZQDIU-GZTJUZNOSA-N	447.403	5.377	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1Cl	408723682	ZUILFHGNWQAZHA-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1	408752110	BUJPMGORIVCLPA-HAVVHWLPSA-N	434.495	5.973	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1	408883211	RYFOGZGDEKRCQQ-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccccc1	408887907	SAXIEPMHJFIVRM-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409251372	PTJCOBAITIIDGH-GDNBJRDFSA-N	429.829	6.004	50	40	IKGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1cccc(Br)c1	9355342	CTEZWIDYGURDMW-ZMOGYAJESA-N	443.728	5.163	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1c(Cl)cccc1Cl	17699172	FTKXXFSZVXRLJC-SFQUDFHCSA-N	441.289	6.257	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc1	20123648	BXZIRTNCVVMUGR-QFIPXVFZSA-N	436.964	5.711	50	40	IKGB	
C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1ccc(Br)cc1	408724766	AMNITZWWWAKUJY-HZHRSRAPSA-N	427.367	5.376	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2)cc1	408795383	CBNVVMSUCHEFEX-CPNJWEJPSA-N	448.906	5.482	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1	408798659	WOALUCMCNHFSQZ-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccccc1Cl	408933527	ANOOSFJXYQMPNZ-PDGQHHTCSA-N	433.851	5.373	50	40	IKGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccccc1	409132597	KXLRJSOUTKOXQY-YZSQISJMSA-N	434.561	5.215	50	40	IKGB	
N#C/C(=C/c1cn(CCOc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	409215798	FKELZOWOLYCJHT-MNDPQUGUSA-N	441.918	5.919	50	40	IKGB	
CC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1sc2c(c1C#N)CCCCC2	2050124	NNRKQRYVIKFFJM-UHFFFAOYSA-N	446.420	5.417	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1	4047690	JVYHUFMNAOQSQU-NLRVBDNBSA-N	431.539	6.615	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	19635321	FPACCHIYOSBOAX-ZMFRSBBQSA-N	442.302	5.105	50	40	IKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccccc1	35333714	QYOPLLUTYWTRLM-XSFVSMFZSA-N	444.581	6.931	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	59501740	MPYBQJIETZFFGF-MFKUBSTISA-N	437.337	5.029	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	95481349	LTDCMBRNDSIVGQ-DTQAZKPQSA-N	439.471	6.185	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408725511	KZEUBSCKVPPUOC-BOPFTXTBSA-N	443.341	5.491	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc(Cl)c1	408735412	RPGAIBSNWKHVBT-UDWIEESQSA-N	436.902	5.760	50	40	IKGB	
N#C/C(=C/c1cc(/N=N/c2ccccc2)ccc1O)C(=O)Nc1ccc(Br)cc1	408744456	LFFIPXUMTPWRRS-KNXQWKLUSA-N	447.292	6.116	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)[nH]c2cc1C	408783193	LWYIXJSFDGUQDJ-ULJHMMPZSA-N	428.539	7.010	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408795397	LANJLIRHJBIKSY-LICLKQGHSA-N	439.298	5.824	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2cccc(Cl)c2)c1	408815691	TVRYHJAOLRXHGP-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408830286	LVBVURIBTRHMGZ-GTPWMTBTSA-N	438.980	5.691	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C	409256933	MVCMMRWRHYCTFJ-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2165946	CQFHKHVMRFAPFK-LQKURTRISA-N	432.564	5.788	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	2670471	FZEHUHBAPSGDFP-GHRIWEEISA-N	443.341	5.572	50	40	IKGB	
COC(=O)[C@@H]1C(O)=NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	9015206	YXWGQTBBURMWKU-OALUTQOASA-N	426.925	5.160	50	40	IKGB	
CCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2)CC1	13940212	DBEVGAGBRJSYQS-UHFFFAOYSA-N	443.385	5.598	50	40	IKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	33660740	YDQMIZTTWYPPGH-MZJWZYIUSA-N	444.922	5.065	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1	59335096	FDAKWGPLCMNPLY-JLPGSUDCSA-N	438.527	5.857	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1	59335430	FNLLQCXZWIRNLP-UYRXBGFRSA-N	434.337	5.711	50	40	IKGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c1)C2	59501526	OXWWZVYXBRUSTI-KKMKTNMSSA-N	438.358	5.894	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	107124820	CWKCYJBEHLVBIX-MXAYSNPKSA-N	441.619	5.994	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c(Cl)c1	408585689	HFJHVVJSLQOTRB-KMKOMSMNSA-N	447.941	6.288	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)c1	408851205	WJRSPIDRURWJTP-OEAKJJBVSA-N	428.507	6.184	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408865961	CUVJMNWJRGOJSI-WSDLNYQXSA-N	444.962	6.410	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(C(C)(C)C)cc1	408967787	SBQGOWWBKYDTGB-RWPZCVJISA-N	447.966	6.555	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc(F)cc1	409071411	JURPEKDRPPEOOO-KGENOOAVSA-N	439.490	6.082	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2)cc1	409243542	SGQMWVBIUUCUCT-AQTBWJFISA-N	449.373	6.454	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1	409370927	DYVXBCAMMKFKJF-WOJGMQOQSA-N	445.346	5.500	50	40	IKGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1	1887951	ZGMONEWJSDMIGU-YMGIJWJESA-N	439.540	5.060	50	40	IKGB	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2669457	CVTIDCSJRFOIAT-VGOFMYFVSA-N	448.762	6.240	50	40	IKGB	
CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1	8448434	LRPHDJFLWMTNNT-JTOWPZHPSA-N	432.514	6.566	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(F)c(Cl)c1	408542498	LVSFAPBTRJGPAE-MFOYZWKCSA-N	437.858	5.131	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1cc(Cl)ccc1Cl	408599434	UUZHIDIZJSHAET-LICLKQGHSA-N	439.371	6.934	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	408726312	RXRFRMJADQKRGD-QNGOZBTKSA-N	428.488	5.219	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1Cl	408796159	DTTYNKUCUOAOCM-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408817519	NKPGKVUTYYNMMF-YBEGLDIGSA-N	437.858	5.131	50	40	IKGB	
C[C@H](Br)C(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)CN1CCCCCC1	1646407	OGKRECNIEBIOLI-RTWAWAEBSA-N	442.441	5.837	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1	9972652	HTDFETSBALQOLL-QJISPJEISA-N	428.916	5.470	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1	23723555	MRLWHVUSFAZKNH-LDADJPATSA-N	426.432	5.123	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3cc(C)cc(C)c3)cc2)cc1	59474264	IZODHHPMZOFMNW-JFLMPSFJSA-N	432.589	5.574	50	40	IKGB	
CCC[C@H](P(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	104157735	ZIWMBADTCMZNOH-MUUNZHRXSA-N	442.479	6.260	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)oc12	223593654	BVGHUGWSSZFLTN-UEYIPHHSSA-N	447.579	6.014	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2F)cc1-c1ccc2ccccc2c1	408726761	UFBCRBAOJSQNJN-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1	408802458	FHEFKUGTALROKV-AFDYPQSWSA-N	432.523	6.203	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408807951	INJNLMCKEMRPPE-NTUHNPAUSA-N	439.726	5.990	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)cc1	408815714	UDZRBJGVVMYZHN-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1	408844343	CMAQGMRCYZQUBG-UVHMKAGCSA-N	441.358	6.262	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	408886440	HLRWPGQGEUSZSZ-XDHOZWIPSA-N	431.423	5.167	50	40	IKGB	
C#CCn1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409033961	MSNLODGLJSTZAR-RDRPBHBLSA-N	428.495	5.254	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1	409226926	XWEZZIMTUVWXIK-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)NC(=S)N1	409367886	NFULCXUCBRSWJH-LJQANCHMSA-N	446.403	5.915	50	40	IKGB	
COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N	2360602	UNDIEVVMUZISNC-HXUWFJFHSA-N	427.529	5.068	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(Cl)cc1	3252284	DLDACLUGRWAEQO-DTQAZKPQSA-N	430.920	5.800	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1	5744947	VDCYONNZFARBID-LQKURTRISA-N	425.532	5.796	50	40	IKGB	
Cc1ccc2sc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)nc2c1C	8860094	PUVPZTZWVMCGQO-UHFFFAOYSA-N	430.558	5.947	50	40	IKGB	
Cc1ccc(OCCCOc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)cc1C	9280111	YFSJQUCVUQFBJM-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
O=C1OC(=O)[C@H]2C(c3ccccc3)=C3C(=C(c4ccccc4)[C@H]12)c1cccc2cccc3c12	104155592	PWWQKKUDVUKTRA-NSOVKSMOSA-N	426.471	6.004	50	40	IKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408793834	GUURVZIHJNKMAY-LFYBBSHMSA-N	440.124	5.619	50	40	IKGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408803512	PWGQGCAPAQHMOO-RCCKNPSSSA-N	442.902	5.477	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)n1	408975355	ARNDXKXVVABWNC-XDHOZWIPSA-N	436.309	5.089	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1	409345057	KFJFFDIKMGUAOW-LCYFTJDESA-N	440.209	5.590	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12	409359894	CICQSBNGYJEYLE-OYKKKHCWSA-N	449.506	6.610	50	40	IKGB	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1	942096	KTMUIFTZEJBYIQ-QGOAFFKASA-N	432.501	5.146	50	40	IKGB	
O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1c(Cl)cccc1Cl	3136478	NQQPHOSEEAPUMJ-AERZKKPOSA-N	426.514	5.483	50	40	IKGB	
COc1ccccc1/C=C/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	3260571	GXVSYBXFQRPNCJ-WWNDCBJDSA-N	436.964	6.070	50	40	IKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)CNc3c(C)cccc3C)c2)cc1C	4077471	SXORAFQTTICQEA-XJTPPNOZSA-N	429.524	5.603	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OC	16412052	ZVQRSTOPGBKYLC-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=C(C#N)/C(O)=N/c2ccccc2[N+](=O)[O-])c2ccccc21	17100122	YGXMAAFZKZONHI-XSFVSMFZSA-N	436.471	6.101	50	40	IKGB	
C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	21548862	AMPDCGBCMQKCIE-DEOSSOPVSA-N	446.572	5.444	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCCOc1ccc([C@H](C)CC)cc1	26580583	UXJRHKCIYGRLBZ-IYWQOLOASA-N	441.571	7.121	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	33634538	APZBNNKGJUGGBE-IUXPMGMMSA-N	443.261	6.684	50	40	IKGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21	33899734	XGPBYJOZCCOLRU-FOWTUZBSSA-N	433.558	5.779	50	40	IKGB	
CCc1c(CO[Si](C)(C)C(C)(C)C)c2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C	197883321	RAGWTXRTFNGGGB-UHFFFAOYSA-N	434.609	6.417	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1	223598283	DUYRGPBZKBHYQI-IAFWPLRWSA-N	431.580	6.050	50	40	IKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC	408541055	DLNWOOQPIGHFQG-ZLYHGVDXSA-N	430.298	5.397	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408590684	QFSKHNLSBYPAJD-BRJLIKDPSA-N	434.754	5.747	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cc2ccccc2Cl)c1	408873026	QVTGOGWPPQUKLJ-YBFXNURJSA-N	447.878	5.393	50	40	IKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	408879215	CELAWOLRTIRZQQ-OPEKNORGSA-N	440.334	5.121	50	40	IKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1	408880191	GLVWGWVAZPCMIV-NTEUORMPSA-N	434.131	5.374	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(C)cc1	408891717	BYGDZMVRDJTVHU-RDRPBHBLSA-N	438.527	5.890	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cc(C)cc(C)c1	408895690	NXNXXLSVTCLDRH-FYJGNVAPSA-N	428.488	5.142	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1	408997454	GILAAPAVRPJKEL-XSFVSMFZSA-N	437.280	5.934	50	40	IKGB	
O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1	409208971	BHPGNSHUNGLNOY-JJFYIABZSA-N	438.237	5.021	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	409235246	AUTBHHZWMBLLHB-FPXKJXHESA-N	438.358	6.185	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC	409330510	AXDLALBRXXVRPK-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccc(Br)cc1	409393026	ORPBGPRIQUQGMX-ZHZULCJRSA-N	445.335	6.964	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1	867491	VWKMOSFEYLFHEL-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1c[nH]c2ccccc12	3251165	LSLXBCNBTBWURM-NDZAJKAJSA-N	430.511	6.402	50	40	IKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1	13465174	RVWVBHONOBKENG-UVHMKAGCSA-N	432.829	5.702	50	40	IKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	20029639	YHZTYGVNFWTSKK-RDRPBHBLSA-N	425.576	5.306	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OC(C)C	34696505	OGNRSPGADXUZAM-NHDPSOOVSA-N	436.349	6.852	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(OC)c1	59296907	IIYQWYXPUOGUOD-FYJGNVAPSA-N	430.479	5.521	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1F	209280532	GJMJOVZDNPSCJJ-ZHZULCJRSA-N	446.478	5.358	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	408538510	OALBCIHTIOEFSA-XDHOZWIPSA-N	445.390	7.115	50	40	IKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408804647	ZFUHIJBONHGWST-LFIBNONCSA-N	425.315	6.479	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408805694	BXCKPDYFKMEPMD-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057454	GGDLNNQIUOJJQW-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCc2ccccc2C)N1	13175734	CIBKOSHTNNECDY-DEOSSOPVSA-N	441.556	5.856	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(C)cc3)c3ccccc23)cc1	20765063	FHDMQDJBMJXXSV-OGLMXYFKSA-N	425.532	5.469	50	40	IKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1	33386467	KBFKMPBWLXJXBE-JAIQZWGSSA-N	449.304	6.309	50	40	IKGB	
O=C(COc1ccccc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	59921934	GSYMSCFBEMTTMG-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	97980788	PNTQDAZNKAWHOP-NLRVBDNBSA-N	442.556	5.216	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)cc1	104089174	WMAVUQJIAJGOGW-JOCHJYFZSA-N	449.601	5.952	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1	260567290	KENQPEYWTMPOFQ-IDCRMVTHSA-N	445.607	6.440	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1	408791630	ZVRHVKAOPZLTNF-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408795644	LXPCNAFDMRLXOI-NTUHNPAUSA-N	439.726	5.990	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1	408813760	YLHLFFKNIPMVHM-LFIBNONCSA-N	429.314	5.181	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(Cl)cc3)oc12	408974394	YPSNAVHHMRETLR-VULFUBBASA-N	434.879	5.438	50	40	IKGB	
N#C/C(=C\c1cn(CCCOc2ccccc2)c2ccccc12)C(=O)NCc1cccs1	409197356	CMUDBBQXPYVXGE-CAPFRKAQSA-N	441.556	5.395	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1	409245667	XHDXIIWJUAIKIK-PXLXIMEGSA-N	439.490	5.773	50	40	IKGB	
Cc1n[nH]c2c1[C@@H](c1cc(CSc3ccc(Cl)cc3)c(C)s1)C(C#N)=C(N)O2	1009288	UDQNWXKYQOCJIB-GOSISDBHSA-N	428.970	5.252	50	40	IKGB	
O=C(NN=C1CCCCC1)c1ccc(Oc2ccc(C(=O)NN=C3CCCCC3)cc2)cc1	19644892	MXDSZVKSAYTWJI-UHFFFAOYSA-N	446.551	5.579	50	40	IKGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473058	KFOLBSVUFGQOGN-AFUMVMLFSA-N	438.936	5.183	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1	107861048	QWAHFASSYZSNSA-SILNSSARSA-N	440.971	6.634	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3Br)o2)c1	252490453	KTVXASVIGKCCLE-GXDHUFHOSA-N	425.257	5.702	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OC	408598439	AKWGHUYRNVDTEC-AUWJEWJLSA-N	439.680	5.416	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccco3)cc2-c2ccc(-c3ccccc3)cc2)cc1	408726735	TWHFYRJRNMWZEO-VUTHCHCSSA-N	446.510	5.872	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1	408965585	WDKRRAKVKNEGEO-MUFRIFMGSA-N	441.497	6.219	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	409069891	YHZUWZFLZINOLL-LDADJPATSA-N	425.893	5.180	50	40	IKGB	
N#C[C@@H](C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1	409207696	XQUKAQCAOSFQMG-FEGPCZTRSA-N	426.907	5.100	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2C/C(C#N)=C/Nc2ccc(C)c(Cl)c2)cc1	3324954	MXRRPCFHMBZLER-FXBPSFAMSA-N	438.962	6.872	50	40	IKGB	
COc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	9235177	CRHLIAWJBHHUPB-UHFFFAOYSA-N	438.108	5.774	50	40	IKGB	
CCC(C)(C)OOC(C)(C)C#C[C@@H](/C=C(\Cl)C12CC3CC(CC(C3)C1)C2)OC(C)=O	100681780	PLCZOUFQHLCKME-RJOQFMORSA-N	437.020	6.176	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1	108973853	MZZVOYXKKCMVSK-AFUMVMLFSA-N	449.304	5.635	50	40	IKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC	408538828	CFQUNNLRLRCDQA-HAHDFKILSA-N	433.346	5.181	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl	408566991	JPAYJARQPCFSGB-WGARJPEWSA-N	446.894	5.324	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Br)c3)o2)cc1	408745088	PHWJTPRQEPLVNB-SSZFMOIBSA-N	437.293	5.653	50	40	IKGB	
C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)cc1	409022951	ITXWCMZDGXUQHY-DICXZTSXSA-N	447.922	5.822	50	40	IKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409238849	NZYAEPNHQNJDPH-ATVHPVEESA-N	429.442	5.250	50	40	IKGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccsc1	1088173	INNRRXQIQHHHTG-HOYKHHGWSA-N	441.531	5.586	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	1438737	QXRVNDCFCHMEAR-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1	6182246	AKQZKYYFOIBISE-HVBJHMBASA-N	443.550	6.941	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(CSc2ccc(Cl)cc2)cs1	8815942	BCAWOAZYDKEINC-LJQANCHMSA-N	428.966	5.509	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C	28216457	MGMDFGCRWFXAAZ-MJDKSPQASA-N	425.985	5.687	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\C(Br)=C\c2ccccc2)cc1	30802723	PJCUCTNFONXPRO-ABGNUQIMSA-N	425.370	5.626	50	40	IKGB	
C(=N/Nc1nc2ccccc2s1)\c1ccccc1P(c1ccccc1)c1ccccc1	97965294	UYSLFKABEJEPTJ-ZXVVBBHZSA-N	437.508	5.501	50	40	IKGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	100071253	DIFGJNUGFGBKDS-PTNGSMBKSA-N	439.338	5.508	50	40	IKGB	
O=C(N/N=C1/CCCC[C@@H]1C1CCCCC1)c1ccccc1OCCOc1ccccc1	103453835	DNIYXTNBPWIQAK-QHQUTPPRSA-N	434.580	6.001	50	40	IKGB	
CCOP(=O)(OCC)/C(C#N)=C(\Nc1ccccc1)SCc1ccc([N+](=O)[O-])cc1	103998829	MHOARIRXMDASCX-FMQUCBEESA-N	447.453	5.899	50	40	IKGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2[C@@H](C)CC1(C)C	223528171	SZTRAZKARKRXDR-BGHCKBSUSA-N	428.374	5.325	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)c(C)c2)cc1	408796068	DDSYZSXKTSNHTN-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408801035	RIBUJTBABZEBCE-XNTDXEJSSA-N	436.851	5.161	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1	408807708	DWIWVQHDUIPENC-IWIPYMOSSA-N	427.548	5.450	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(Cl)cc1	408881971	NEFZWDLAARFBPU-GZTJUZNOSA-N	444.834	5.458	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)cc2)cc1	408884678	YCIWDUNISJUKIO-HZHRSRAPSA-N	440.499	5.215	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cc(C)cc(C)c2)cc1	408884964	WEUUSPLBIMQXKM-HZHRSRAPSA-N	426.516	5.457	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc2ccccc2c1)c1ccccc1	409234030	XXDDZFFPSWWOBU-CPYLFOLBSA-N	432.523	6.203	50	40	IKGB	
O=[N+]([O-])c1ccc(N/N=C/CCCCCCCCCCBr)c([N+](=O)[O-])c1	5732121	YMWAONQOJARCNG-CPNJWEJPSA-N	429.315	5.807	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C	12363027	IWLGHZUALSKIAE-AFUMVMLFSA-N	438.369	5.491	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C	20760506	HOJJCLSNGAQYTB-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	28217027	SXOOIIBLJLAWEN-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
N#CC1=C(N)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1	31820186	ZVVMYAPVVGYWHJ-QFIPXVFZSA-N	432.886	5.265	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1	33482197	QISCSWFIZFEJMK-UCQKPKSFSA-N	437.765	5.826	50	40	IKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1	35352281	FSOYDGBBHYPMFS-MOSHPQCFSA-N	436.471	5.561	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)c1	102863916	IIGAKTOOHPFJOB-PTNGSMBKSA-N	433.514	5.790	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	108933675	WGQRAASJNNADOK-STZFKDTASA-N	441.531	5.636	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)C	408806442	NDFFLBKFWQLBRF-LFIBNONCSA-N	429.314	5.181	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	408810181	KBKFFQPACNAOOR-RVDMUPIBSA-N	427.287	5.485	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408816955	ZJNXQQGBJFNYLR-OQLLNIDSSA-N	431.717	5.521	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	408820212	UPGQJVQSHDUESC-XNTDXEJSSA-N	427.287	5.485	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	408880827	IYNSEVYMPXNPHK-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408883148	TUOJMIKMZYKMDM-XQNSMLJCSA-N	448.522	6.287	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C	408905324	XGLYVFDKQFWXKJ-MXAYSNPKSA-N	430.464	5.129	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	409221456	QNXZEKGVYXJOLH-SDLDRHLBSA-N	438.358	6.185	50	40	IKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccccc1O	3228608	CHUPGLUILPUEIU-VUTHCHCSSA-N	431.495	5.767	50	40	IKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(F)cc1	8812461	BQZHMVHRIMUKQG-FDAWAROLSA-N	448.497	6.475	50	40	IKGB	
Cc1cc(C)cc(NC(=O)[C@H](NNC(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc2)c1	13134127	IRCVWQWAUQTDFD-AUJBFMOVSA-N	445.607	5.211	50	40	IKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12	13388073	WTLKRMJPLXPTDB-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
CCOc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC	19648240	JWNJZGYKYFQTBK-CJAUYULYSA-N	448.950	5.632	50	40	IKGB	
C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)COc1ccc2ccccc2c1	100059361	UCWGZIVLLYIFFA-VULFUBBASA-N	444.318	5.046	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3cccc(Br)c3)cc21	208245293	UXZGGFIAHJNWDS-XPGOGFAUSA-N	429.789	6.889	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223544798	JLYYFJHKZWLBAE-MJDZGMBVSA-N	427.592	6.033	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Br)cc1	408746532	ZVCLRLGJXRCQMR-SDNWHVSQSA-N	438.237	5.163	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1	408814209	OHLJCDCHEIUWOV-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1cccc(Cl)c1	409185991	UMYATGOEVJTFLL-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)C21CCCCC1	4102623	RFLLTBGEFJYZBO-UHFFFAOYSA-N	435.593	5.290	50	40	IKGB	
Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/C=C/c4ccccc4)[nH]n3)cc2)cc1	9375072	SZNFFRAGFPYGEP-AZDFISSRSA-N	436.515	5.393	50	40	IKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(C)cc3)ccc21	16162862	JZRDJAIIAAUBBO-MTDXEUNCSA-N	426.520	5.257	50	40	IKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(Cl)c1Cl	16440452	GUMRQLSCRBVHRW-ONNFQVAWSA-N	440.080	5.030	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	19639734	ZAUDVTRJFROKGG-WKIKZPBSSA-N	444.293	5.539	50	40	IKGB	
N#C[C@H](c1ccccc1OCc1ccccc1)N(Cc1ccccc1)C(=O)CCCCl	26895963	JCUKXXXJFDZUNX-XMMPIXPASA-N	432.951	5.878	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	28215910	QRFLPSXRGHLQRH-DHRITJCHSA-N	441.984	5.140	50	40	IKGB	
O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Cl)cc1	59472648	KKADEEIBMXBPFW-COOPMVRXSA-N	439.902	5.174	50	40	IKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	59473252	GSONJYOLWUDIPT-UMYHVIPVSA-N	429.885	5.139	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OC	59474984	ANQFHQWVYQARCC-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1	83294513	LYGRAKQSRPSZHL-MXAYSNPKSA-N	429.303	5.345	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2[C@@H](C)CC1(C)C	223574649	MEUDKHBRZIZXKB-FNVGFWRISA-N	428.580	5.662	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408566107	DHSLZSCBIXVLHP-NHDPSOOVSA-N	449.337	6.907	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1	408856060	HCXQASXDDKXJHD-KAMYIIQDSA-N	426.701	5.439	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OC)c2)cc1	408869415	DBIRWVCYRXZXIL-RGVLZGJSSA-N	448.925	6.187	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1cccc(F)c1	408875722	HCUADLYJPYCICL-RQZCQDPDSA-N	436.870	5.330	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCC#N	408981418	AXWCXUXMWHVHKW-OQLLNIDSSA-N	430.291	5.149	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2F)c2ccccc12)c1cc2cc(Cl)ccc2o1	409019104	YLBOWRGQAJWPGA-QDTIIGTASA-N	445.881	5.992	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	409264149	PHNJSCWQIBRNSX-RWPZCVJISA-N	428.454	5.956	50	40	IKGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	948062	HXJFHXNATOOLQZ-FYJGNVAPSA-N	439.920	5.266	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1	12585905	BVIZJEOSTXOLPQ-VXLYETTFSA-N	437.326	6.427	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	13101305	RBEPMNWAZJMMMX-OQLLNIDSSA-N	426.321	5.129	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	28216194	YMAYFPDYOJHXRC-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc2ccccc2c1	33736033	PGZMWQNXBNVLMB-PKAZHMFMSA-N	439.471	5.020	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2[N+](=O)[O-])o1	33797181	FVOXBCQAVSOGKP-UHFFFAOYSA-N	441.528	6.157	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1O	59224562	MMZMFYCPGFDKJM-AWNIVKPZSA-N	435.705	5.061	50	40	IKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)cc1	169305780	JIUOFWOOWFTSGM-GWMHJGNYSA-N	437.543	5.676	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	408532055	PMHGZHREQZWMDN-UVHMKAGCSA-N	442.346	5.443	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(Br)cc2)o1	408740102	DJTYLFDCCLVLJN-RQZCQDPDSA-N	443.304	5.718	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408787673	DKVCTKXGEZYBJR-GZTJUZNOSA-N	449.850	5.078	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1Cl	408803630	RJDBOFQMQVDLID-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1C#N	408815678	SZHIARXMSUGTJJ-FYJGNVAPSA-N	441.462	5.221	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1Cl	408983023	JSLYJRODQIAQCV-JAIQZWGSSA-N	447.922	5.608	50	40	IKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	409222862	DMJGDKJUOHCPTB-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	409266577	PXILWGYWHWBSBD-FDAWAROLSA-N	448.570	5.552	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1C	1107280	VXCWSFTWXZZORN-DEOSSOPVSA-N	444.531	5.034	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@H](/C=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=O	2339261	IBRUAZCIQDEKQL-ZOXUKVPXSA-N	433.920	5.241	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1	2805797	LYKIHRAYSCBGGO-MZJWZYIUSA-N	438.439	5.617	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1	11853110	YPSRAUMSJFDATI-FMIVXFBMSA-N	445.273	5.596	50	40	IKGB	
N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	31871542	UCOFMYNMZBTRCX-DHDCSXOGSA-N	435.302	5.743	50	40	IKGB	
C[Si]1(C)CCC(=O)CC[Si](C)(C)O[Si](C)(C)CCC(=O)CC[Si](C)(C)O1	195751668	SMTBPEGDHXMICH-UHFFFAOYSA-N	432.858	5.552	50	40	IKGB	
C[Si](C)(C)O[C@]1(C#N)c2ccccc2CCc2ccccc2[C@@]1(C#N)O[Si](C)(C)C	195752961	ZVGFHOJNOGGLTR-DNQXCXABSA-N	434.688	5.626	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2[C@H](C)CC1(C)C	208320854	MEUDKHBRZIZXKB-CLCAUBNZSA-N	428.580	5.662	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408555028	UZFBBDFXANTYPF-VUVCFOEZSA-N	435.549	5.230	50	40	IKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c3ccccc32)c1	408569846	QOXCJGQTIWDHOF-PDGQHHTCSA-N	449.489	5.668	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)c(C)c1	408851257	APZIMVBTPFRBSN-OEAKJJBVSA-N	444.962	6.698	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(C)c(C)c1	408866718	IECBXOLYMXUZDH-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	409014713	IMEJADMTDFHDFD-QFEZKATASA-N	428.598	5.238	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1	409392189	NUWUCGGULKMWAA-RWPZCVJISA-N	430.939	5.463	50	40	IKGB	
COc1ccc([C@@H](Br)[C@H](Br)C(=O)c2ccc3ccccc3c2)cc1	3119492	NPXXZGDLGIEBSC-MOPGFXCFSA-N	448.154	5.931	50	40	IKGB	
Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)c1	5895845	ZZDVWLAERBSXHV-HMMYKYKNSA-N	427.548	5.338	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250234	WQIKOZFJFXQFSL-VWLOTQADSA-N	444.987	6.712	50	40	IKGB	
Cc1cc2cc(CN(Cc3ccccc3)C(=O)[C@@H](Cl)c3ccccc3)c(=O)[nH]c2cc1C	13998731	FSEGNWXZYKZZQF-VWLOTQADSA-N	444.962	5.654	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	15231331	DBXZRCHFGMYCBV-MZJWZYIUSA-N	445.906	5.363	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	28216064	JSLUXBKJMVPEHZ-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	35352249	FMJDFWAFUWRPOE-ZSOIEALJSA-N	449.732	5.446	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc(Cl)cc2Cl)c1	408579914	LIUZBIBCFJMKON-LDADJPATSA-N	437.326	6.384	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCC	408582743	PUAPFPQQTBCZTI-CXUHLZMHSA-N	432.314	5.328	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cccc2ccccc12	408587475	GFLVFVBUPCIVIA-CVKSISIWSA-N	446.348	5.774	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Cc2ccccc2F)c1	408865996	FFEHFQVHOVGMMR-UDWIEESQSA-N	434.898	5.933	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1	408876428	OZGDYDWXBXGJPW-ZMOGYAJESA-N	428.963	6.710	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1	408881546	LSAWGYUFQCWQEF-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	408890598	WFLBVGFVSPTBQD-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
CCCCC/C(=N\NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccccc1	4523961	ALEDFYAKDGCPCN-XLVZBRSZSA-N	427.548	5.962	50	40	IKGB	
C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)N/N=C/c1ccccc1O	16322181	VGDHFABFBZHZAA-XHCMJAMOSA-N	445.302	5.409	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	28215907	CYQZGNAPZBREMY-DHRITJCHSA-N	441.984	5.140	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Br	32124954	VYUFDBSYVWWCFT-QFEZKATASA-N	432.321	5.216	50	40	IKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CSc2ccccc2)cc1	59473182	ZUHKPFFQFXMFFY-OEAKJJBVSA-N	425.351	5.505	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1ccc2ccccc2c1	408550656	ISKPOUQHJAXPOK-KQWNVCNZSA-N	445.497	6.636	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1	408719978	UPKNHEDUEHNCNR-LDADJPATSA-N	434.326	6.464	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	408888736	ZUYBBLCRBGNWLS-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Br)c3)o2)cc1Cl	408982573	HZHJJTIWTSBUSB-GDNBJRDFSA-N	441.712	6.217	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1	409136352	YSNLIBDJWDGQRF-OAQYLSRUSA-N	441.314	5.387	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	409221455	QNXZEKGVYXJOLH-DEFALTHMSA-N	438.358	6.185	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)[nH]c2c1	409390477	DCFPLDNBIGSMJN-PDGQHHTCSA-N	449.470	5.547	50	40	IKGB	
O=C(c1ccccc1)[C@@H](Br)[C@H](Br)c1ccc(Br)cc1	3157230	NURZGIQYHBZOMU-KGLIPLIRSA-N	446.964	5.532	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)c(C)n1-c1ccc(Cl)cc1	3248001	LSTBPIWFIDANBA-XMHGGMMESA-N	426.907	5.841	50	40	IKGB	
CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1	8952295	PKDYBWOMDQEEQI-WDMWBOBFSA-N	431.536	5.207	50	40	IKGB	
N#CC(=C\c1ccc(-c2cccc(Cl)c2)o1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-]	9057409	OYVOTXPOEJHDBR-UKTHLTGXSA-N	428.231	6.357	50	40	IKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1	9075644	SNEFHKBCMMEGAR-XFXZXTDPSA-N	434.721	6.342	50	40	IKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc3ccccc3c2)cs1	9405003	OGNIDAVESURJKO-HKWRFOASSA-N	425.513	6.117	50	40	IKGB	
CC[C@H](C)c1ccc(OCCCOc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1	9635701	QDJJMQVEGATTQH-OJQDQQHHSA-N	430.548	5.812	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1OC	17113487	QEUYAEQTZMEEEN-QGOAFFKASA-N	449.532	5.369	50	40	IKGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)c1	26842237	BKDIBZZSUOWNQS-NBVRZTHBSA-N	433.471	5.044	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1	44827231	JIKZREKAVAKOCK-SDNWHVSQSA-N	444.329	6.087	50	40	IKGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	59472993	PPCHXLAPXDRJQG-AFUMVMLFSA-N	440.952	5.413	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118912384	QNEPTKZEXBPDLF-MHXBIVLNSA-N	449.119	8.772	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1	408584046	ZQLBCLFVXBNJCS-LPYMAVHISA-N	433.935	6.699	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2)cc1-c1cccc2ccccc12	408723956	BDNDVPSCQYLNOM-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)c1	408735043	MRUANEIYFLYSRX-LDADJPATSA-N	448.906	5.482	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)c1	408743891	CFRUDTPHHQZVIN-KQWNVCNZSA-N	435.527	6.192	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1C#N	408807682	DLNBIWLDEDSVCL-HAHDFKILSA-N	437.474	5.551	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1Cl	408981505	BKUPYTWOXLCOKR-JYRVWZFOSA-N	442.258	6.016	50	40	IKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4)o3)sc2c1	408988138	CVQKAUQLVYNBST-NTCAYCPXSA-N	447.541	5.985	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1	409359901	CIKVKGLCRNKFSZ-MUFRIFMGSA-N	443.978	5.961	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc2c(c1)OCO2	409362693	JVYBNWKWUFSMPZ-ODLFYWEKSA-N	434.289	5.821	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)NC(=O)N1	409368003	LHLJUBUINFVTFV-LJQANCHMSA-N	430.335	5.750	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)[nH]c2c1	409391251	IIIJJUYZHUXSKL-YVLHZVERSA-N	432.911	5.705	50	40	IKGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1[N+](=O)[O-]	1084503268	FPNGARYYHUGALA-UHFFFAOYSA-N	441.450	5.129	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2cccc3ccccc23)c2ccccc12	9202570	YPXZLSCKVLUWRO-UXHLAJHPSA-N	431.539	6.224	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(C)s1	19634776	JQHLNEPSCUPAHY-BYNJWEBRSA-N	441.600	6.939	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1	33570909	VUMJSSZYVGNYAQ-RWPZCVJISA-N	437.421	5.422	50	40	IKGB	
Clc1ccc(-c2nnc([C@@H](Br)[C@H](Br)c3ccccc3)o2)cc1	100292368	DAZDIIGRADBXNY-KGLIPLIRSA-N	442.538	5.962	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(C#N)c1	107537637	ZZRYIMRALZGGFS-JMIUGGIZSA-N	449.735	6.617	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	408540792	VYIAGUNSHPYOPS-CPNJWEJPSA-N	428.916	6.670	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(F)cc1	408569053	YMZYMISOPUNFOQ-WQRHYEAKSA-N	431.442	5.883	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Br)cc1	408578869	BGXMEKRUDKLMGB-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
N#C/C(=C\c1ccc2c(c1)OCO2)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408719041	HEFNEBQKMGVLSH-RQZCQDPDSA-N	448.309	6.184	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc2ccccc2c1	408722438	IWDIKQPKHSGSAH-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)cc1C	408742462	WRAQJZPJTNUGNB-STBIYBPSSA-N	438.575	5.882	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc3ccccc23)c1	408763499	FWLFMBVXIGBAOZ-JLPGSUDCSA-N	446.506	6.167	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Cl	408795202	LGFXLQHQLMCPOE-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1	408953360	WBJDKBXJLXWUCT-UNOMPAQXSA-N	447.922	5.554	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1C	408960228	JYDPHSKVORNHFW-LGJNPRDNSA-N	428.363	6.036	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1C	650579	OHVDBWJLKPYASB-QFIPXVFZSA-N	434.927	5.094	50	40	IKGB	
N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	9404950	DXWDALHFEDHRRY-HKOYGPOVSA-N	429.548	7.607	50	40	IKGB	
CCO/C=N/C1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)O1	9846570	DXAFIBWRASZINF-QCRKRGDZSA-N	428.488	5.010	50	40	IKGB	
N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	11853141	VFYOZGNPSINGRK-WQLSENKSSA-N	449.841	6.188	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)[C@H]3C[C@H]4CC[C@@H]3C4)c3ccccc3n2)cc1	17095509	MCTCGGSPWMSDDI-AIFYUNSSSA-N	427.548	5.842	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1Cl	33735959	UCOOIPAWWXMLCN-UDWIEESQSA-N	443.934	6.485	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c1	33860354	QOWAYOPSMUDDIH-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117540	URFHZKLVUPLSDG-UVTDQMKNSA-N	427.243	5.351	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	59432684	UXBHXSMLJQIGJR-LICLKQGHSA-N	441.325	5.185	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccs1	59436901	HJROYSCPGBMDKZ-NHFJDJAPSA-N	431.605	5.357	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	408538086	IWCODMHIGWSYNC-LFIBNONCSA-N	435.326	6.637	50	40	IKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccc(C)cc2)cc1	408707858	MFHGVCNLGPKEAP-CVKSISIWSA-N	434.927	5.043	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)c1	408743319	FSMAFQVMUFPLSH-JYRVWZFOSA-N	442.258	6.016	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1	408744475	LJULMKJGFNAIIL-CPNJWEJPSA-N	434.337	5.711	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Cl)c1	408788591	LKPXNUMJETWFHD-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12	408802226	YOFIXHZCTWZUNE-HAVVHWLPSA-N	448.522	6.282	50	40	IKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408887041	NMHXMCVKYBJYOA-XMHGGMMESA-N	446.890	5.422	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccc(OCc2ccccc2)cc1	408889967	LWKYILUEATZQOA-LDADJPATSA-N	449.304	5.279	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1O	408981901	DNDMJQJASGCURG-NVNXTCNLSA-N	431.717	5.391	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)COc2cccc3cccnc23)c1C	409022184	HYISWSXMXYYDRS-MUXKCCDJSA-N	446.938	5.133	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC	409390452	FMBRKOQZWLDURN-NVNXTCNLSA-N	437.252	5.292	50	40	IKGB	
N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NCc1cccs1	872785	LBUYEQZOOVDBSJ-NBVRZTHBSA-N	445.519	5.144	50	40	IKGB	aggregator
Cc1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1Cl	1741295	FJSHGRWGBWZOFK-LSDHHAIUSA-N	431.555	5.487	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccsc2)[C@H]1c1ccsc1	19371543	RXKIGRVABWAINI-XJAMQDAASA-N	443.597	5.471	50	40	IKGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1ccc(C(F)(F)F)cn1	22958561	DZWJEUYYQVHLTJ-RIYZIHGNSA-N	437.252	6.025	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	35517373	YICNXFBPIYNOJE-GDNBJRDFSA-N	426.350	5.209	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C	59137456	XNBRGLRPUDONHL-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	103708434	VJBLCXIAHLTMPE-IBGZPJMESA-N	430.957	5.542	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc(C#N)c1	107600723	OAXYCIDWYOUVMC-RGVLZGJSSA-N	428.322	6.932	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc21	223487161	KDVRUVZLWUERMK-NDENLUEZSA-N	433.983	6.604	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	408538553	OQTQYBWNAPHSBQ-PDGQHHTCSA-N	431.363	6.807	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Cl)c1	409040718	HUVCZMWMZMFCSZ-LDADJPATSA-N	442.906	5.606	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccccc1F	409069312	XEKCSZCBTKCLPE-KGENOOAVSA-N	439.490	6.082	50	40	IKGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccccc2Sc2ccc(Cl)cc2)n1	409222419	XAQSOFPOGINUNU-FMCGGJTJSA-N	442.997	5.140	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2c1	409236842	HLEXMMXYKQGFGO-GDNBJRDFSA-N	426.394	5.421	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc(NC(=O)c2ccccc2F)c1	3090712	KAFOMPCHAYKOSJ-BRJLIKDPSA-N	430.266	5.149	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12	9201780	SNWMGUDVJAMCNT-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1	9261667	AHXILJKLNDSIGZ-FYJGNVAPSA-N	443.503	5.045	50	40	IKGB	
O=C(N/N=C1\CC2(c3ccccc31)C1CC3CC(C1)CC2C3)c1ccc(Cl)cc1Cl	12338567	CCAMVQMWWBGZLL-WEMUOSSPSA-N	439.386	6.225	50	40	IKGB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(\C#N)C(=O)NC4CC4)c3C)cc2)cc1	59109656	IQNQICZJHLOPTJ-HMMYKYKNSA-N	427.504	5.081	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(F)cc1	59306272	NNFCTUQDEBBYNH-HMAPJEAMSA-N	430.479	5.027	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1C	59336066	XLJPGLKXEHBSCQ-UNOMPAQXSA-N	438.358	6.563	50	40	IKGB	
O=C(O)C12C[C@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@@H]5C[C@H](CC(C(=O)O)(C5)C1)C4)(C3)C2	102966901	LPFOQEZPYZNVNW-LDCATFFASA-N	440.904	5.351	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccccc3F)c3ccccc23)cc1	207350982	GACGOBSBUCGLFN-STZFKDTASA-N	439.490	5.061	50	40	IKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccncc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751291	AQWDHEWXXUEOTA-MHCMYGDOSA-N	438.531	5.071	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409085314	WZIZTNKRAVHZRI-SFQUDFHCSA-N	444.403	5.149	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	409248255	DCJUCWZHWWDVJM-MTDXEUNCSA-N	430.548	5.265	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1	409392207	NYVHYIOYCSHANY-MTDXEUNCSA-N	438.483	5.015	50	40	IKGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3(CBr)OCCO3)CC[C@H]12	2049238406	PXLRPEYMUKKRQS-BTUXLCJPSA-N	441.450	5.144	50	40	IKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)cc2)cc1	3285525	ILCUDHYRVWAGBH-JVWAILMASA-N	427.504	5.218	50	40	IKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1	9693572	SNEHIXYKJYSJOG-MRXNPFEDSA-N	444.387	5.775	50	40	IKGB	
Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2	15163103	CAKNYHMNGGICRU-GOSISDBHSA-N	429.467	5.380	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3c(C)n(Cc4ccccc4)c4ccccc34)oc12	106586714	JSPFDVKREVNKJY-LQKURTRISA-N	437.499	5.517	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12	209483246	BQFLQPRNTLSOEW-ZVHZXABRSA-N	439.942	7.453	50	40	IKGB	
CCOc1ccc2ccccc2c1C=NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	245241909	TYOBTHNCFDOUQV-HXUWFJFHSA-N	438.527	5.823	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1	408580474	PSRSPGZSKOSXGZ-DEDYPNTBSA-N	447.332	5.839	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1Br	408599652	YDVHVRXWJVANJH-GRSHGNNSSA-N	425.757	6.883	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1	408718711	ZQHRUGSVYSIEGM-YSMPRRRNSA-N	436.895	5.030	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1cccc2ccccc12	408727082	XBUKDNGRPFPJMC-RGHQOXNHSA-N	442.559	5.704	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C	408810496	JGLYYDOGKIJZQZ-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cccc(F)c2)c1	408883742	UPHMACMCTXWRAJ-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1	408989523	KZYWPXCVIVETAB-UYRXBGFRSA-N	437.326	6.427	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCC)cc3Cl)cc2c1	409188252	XTZNTPNNQVIGHO-CFRMEGHHSA-N	430.888	5.046	50	40	IKGB	
N#C/C(=C\c1ccc(OCCOc2ccccc2Cl)cc1)C(=O)NCc1cccs1	409198908	GEMWOEMIPXMQNH-NBVRZTHBSA-N	438.936	5.083	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1cccs1	409204035	BXQFLNSLCYIGRR-LICLKQGHSA-N	443.355	5.857	50	40	IKGB	
CCO[P@@](=S)(CC)Oc1cc(-c2ccccc2)nc(-c2ccc(C)c(Cl)c2)n1	2561300	HWVPPHQXQCKMEZ-MHZLTWQESA-N	432.913	6.517	50	40	IKGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1	13755935	LHPDTAUTIRJQLT-OQLLNIDSSA-N	427.323	5.654	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(C)c1	20195079	HZVIFEDLITYFKU-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21	208206591	IMLKGWIRANXLJB-QTYGBZKPSA-N	434.367	5.245	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1	408583711	WXGVFIAYOWFOGK-XDHOZWIPSA-N	438.296	6.240	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1-c1ccccc1	408780629	GQWPBGPPHXRKOT-XLNRJJMWSA-N	437.930	6.652	50	40	IKGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408800837	RJCQGKGVQQPZCF-CJLVFECKSA-N	440.499	5.385	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC#N)cc2)cc1	408815591	IDBOYFZNNQDFAV-CEUNXORHSA-N	434.499	5.119	50	40	IKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408821876	AALQINNTZNKVSV-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1ccccc1	409058798	TUYSBWCIUHSVLM-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1	409069171	HYMSXGJIPXKVFE-ATVHPVEESA-N	440.864	5.080	50	40	IKGB	
O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409193497	DTTOKMABRHSESO-BRJLIKDPSA-N	442.371	5.751	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	1439457	ANYFSQFHMMRGIF-XSFVSMFZSA-N	445.906	5.423	50	40	IKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)c1	3303901	QEKNVAUPGXAWIO-CVKSISIWSA-N	431.492	5.370	50	40	IKGB	
COc1ccc(C2=C/C(=C(\C#N)c3nc4ccccc4[nH]3)c3cc(C)ccc3O2)cc1OC	6143395	AFNKUOOSHFYYTJ-ZZEZOPTASA-N	435.483	5.756	50	40	IKGB	
O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	33351064	SKSCSNDPYURYTK-QFEZKATASA-N	430.851	5.227	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(OC)c1	35128484	JPXKUYDQNZWRLU-MZJWZYIUSA-N	447.922	5.124	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	35152506	RSUYFIDPLUKAIZ-LGJNPRDNSA-N	448.862	5.224	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1Cl	59266528	MUTFIBBTFOHNEC-UYRXBGFRSA-N	437.326	6.427	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1	85846255	ACPJRUQBUWHYJV-DEOSSOPVSA-N	443.572	5.104	50	40	IKGB	
Br[C@@H]1C=C(c2ccccc2)[C@H]2C[C@H]1C(c1ccccc1)=C[C@H]2Br	100020273	GZMSWWLYOVNSKV-PLACYPQZSA-N	430.183	6.330	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1	408581493	XHCVZVPWQYXKLG-RCCKNPSSSA-N	430.334	7.790	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccccc1Cl	408797956	UAPZWTNVYSYIIX-HZHRSRAPSA-N	438.914	6.618	50	40	IKGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2cc(Br)ccc2O)c2ccccc12	408868633	NEYNLEBOSBKDAV-MXAYSNPKSA-N	433.305	5.533	50	40	IKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2ccccc2c1	408880723	INFRJOUJEMKNEH-NDZAJKAJSA-N	444.490	5.976	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cc(-c2ccccc2)nc2ccccc12	409043711	ZGTLZYDOUXWGAY-ZMFRSBBQSA-N	436.298	5.678	50	40	IKGB	
O=C(CCl)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1	8754878	OSTVCSHFIOUXKT-UHFFFAOYSA-N	447.322	5.633	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	9906013	IQPKLJQWXLXOEO-JCMHNJIXSA-N	446.510	5.506	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccc(C3CCCCC3)cc2)cs1	17156719	VFTVLSHNTHMCIR-XSFVSMFZSA-N	429.545	6.563	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(Br)c(Cl)c1	34890391	GPWFKYJKNKFQQK-YBEGLDIGSA-N	429.720	6.713	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	59334850	AHUWKXQUNGUMJA-ZDLGFXPLSA-N	445.346	5.305	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3nc4ccccc4s3)cc2)c1	95100362	KPCRWNWLIYHXAA-XSFVSMFZSA-N	425.513	5.729	50	40	IKGB	
CCCCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C=O)cc2)cc1	101005046	SQAOBSMLKJUVOE-LYBHJNIJSA-N	433.548	6.531	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc21	208465911	PWUZSSVITGJTFA-LQKURTRISA-N	431.967	5.818	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2[C@H]3C[C@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1	217715975	IQANXENRXCCHTF-NCGIYZOMSA-N	432.745	5.084	50	40	IKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1	408744357	FBQITZKPYHAJBZ-PGMHBOJBSA-N	427.504	5.213	50	40	IKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408787985	HYIOHBVDCGMATR-IZZDOVSWSA-N	426.097	5.310	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)o2)c(Br)c1	408793751	GKQPGWUJTCUGOH-SDNWHVSQSA-N	441.712	6.217	50	40	IKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408811598	MREPKIBZGJXMNA-IREQLNLFSA-N	433.335	5.403	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1cccc(F)c1	408866655	HRVPCVDIIDJUJP-KEBDBYFISA-N	448.925	6.241	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(C)cc4)o3)s2)cc1	1453251	PHBTUMXZTOYZDE-KGENOOAVSA-N	439.540	6.156	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(O)cc1	16400157	YDUZDWBLHPMURT-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3cccc(C#N)c3)c3ccccc23)cc1	20765075	GHJKOSYKYHQVCB-STBIYBPSSA-N	436.515	5.032	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1F	59534988	MUNGSOSYLVPMLK-CPNJWEJPSA-N	434.442	5.488	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1F	98087321	KVNATNVPRYATOG-CPNJWEJPSA-N	443.909	6.336	50	40	IKGB	
O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)N(CCCl)CCCl	100983129	JIAHWXOOBXMAHX-UHFFFAOYSA-N	446.403	5.209	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2F)c(C)c1	108277810	LHNQZROPVHLCJZ-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC(C)(C)N2C	208233251	QUPKJSIAIMSBEE-GESOSKEOSA-N	442.390	6.570	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408727207	ZAPATADTTBKFEV-MOSHPQCFSA-N	445.431	5.545	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	408813633	QVCKDKDVVOFOHK-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408878045	ZDRVCNQWTHGKHZ-RIYZIHGNSA-N	436.817	5.478	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccccc1	408890298	RAIKSIQNNDEQFH-QGOAFFKASA-N	447.288	5.214	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C	408914037	XDMTWHXUFPLYPQ-JAIQZWGSSA-N	447.922	5.608	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1Cl	408990256	WNMNIPLOXYHPIF-GRSHGNNSSA-N	433.895	5.300	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	2362379	IGZFUTNZSKMWSJ-LGJNPRDNSA-N	448.866	5.224	50	40	IKGB	
CCc1cc(C)cc(OCCOc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)c1	8915920	JUVSVVAZYKDVDK-WPWMEQJKSA-N	436.939	5.433	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc12	9850878	NHKLDNPSWJUSRY-YDZHTSKRSA-N	426.314	5.465	50	40	IKGB	
N#Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1	15227142	WRCXKMOHLQFAMJ-MSXFZWOLSA-N	434.249	5.091	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(CC)cc(Br)cc2s1	20132971	JBHNZMFYFSBMHH-LLVKDONJSA-N	434.197	5.513	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2ccccc2o1	33334260	STYRROWJNKBLTE-WGARJPEWSA-N	438.443	5.108	50	40	IKGB	
C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)c1cc2ccccc2cc1O	100846717	AGGDFGCAHCTLIF-RDRPBHBLSA-N	437.499	5.347	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1F	107686582	KIPZNGRFMUBZPI-UDWIEESQSA-N	427.479	5.971	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c(C)c1	408570802	YSYWTVWWOILBGA-ODLFYWEKSA-N	428.467	5.269	50	40	IKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc(Cl)cc1Cl	408581777	ZHFAATXJQBAPDZ-CPNJWEJPSA-N	448.324	7.929	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408771364	HOMKEWCFWWUCLX-WJDWOHSUSA-N	434.839	5.290	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408793365	DZEGWHSWJACVNQ-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O	408896428	NMYGGCAFBBJPGM-QGOAFFKASA-N	432.863	5.163	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408938335	HPYHQYXJOXEJLR-MFOYZWKCSA-N	444.840	6.529	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c1C	408967298	PTQIBTHPFFQFNZ-MBTHVWNTSA-N	427.470	5.368	50	40	IKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NN(c1ccccc1)c1ccccc1	408998292	LFOOVBQXEWWSHV-SANMLTNESA-N	435.527	5.417	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)cc1	409064991	RMDGETWVWMUCJF-CJLVFECKSA-N	442.515	6.066	50	40	IKGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1	409223647	JBMBYLOFESHHNF-KWFUXGMBSA-N	439.298	5.376	50	40	IKGB	
O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccs1	8861833	SKXQXVDBVIFYGE-FOKLQQMPSA-N	435.383	5.231	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccncc1	16480594	WHGXZOAQPMRTJD-RDRPBHBLSA-N	437.499	5.004	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1	28356061	SORBOLSDLUPTSR-SDLXJUDFSA-N	430.479	5.198	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)cc1Br	34701941	TVMPRSRYPSCIKD-WQRHYEAKSA-N	431.337	6.106	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1F	59306271	RJVMTXOECVDCRV-HMAPJEAMSA-N	430.479	5.027	50	40	IKGB	
CC[C@@H](C)CCCNc1nnc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	103082070	HEPOJPZNRFRSRN-JGTOSJCVSA-N	445.639	5.390	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1F	207053062	JWAYFSSQOBWPAZ-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1Cl	408539488	HZWODOJTVKSQKP-PKAZHMFMSA-N	449.422	7.059	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(F)cc1	408791310	YOBGKWSMDJAMJR-HMAPJEAMSA-N	444.506	5.966	50	40	IKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799569	ZWJZQHCXBWLHRL-XSFVSMFZSA-N	432.907	5.863	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(Cl)c1	408803454	PCTHPVPVWGNHPY-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1	408804323	XNULOZJHRMMXIF-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1	408865129	BDFXBXGOFNIRKG-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1C	408904486	KGDOWKBXVNGSGI-MXAYSNPKSA-N	430.464	5.129	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408962543	YZSUGJIQKBCEOT-HMAPJEAMSA-N	431.967	6.472	50	40	IKGB	
COC(=O)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1	408971545	IJHMESGYWAXWPL-UYOCIXKTSA-N	441.723	5.412	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c(OC)c1	408971885	LKWJPWBRPFBVLL-UYOCIXKTSA-N	443.739	5.643	50	40	IKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)[C@H]2CCCC=C12	1003007	HVZABESBNBCAHI-JTSKRJEESA-N	448.885	5.245	50	40	IKGB	
COc1ccc(N[C@@H](c2ccc(OC)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	2163340	FJMVHEKYUHXPBR-HHHXNRCGSA-N	443.483	5.829	50	40	IKGB	
CCCC[C@@H](CC)COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	4281087	WTBHWGMGUJQNKW-MRXNPFEDSA-N	447.373	5.119	50	40	IKGB	biogenic
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc1-c1ccc(C)cc1	8830168	RRDSAZVIDPLSSF-CXUHLZMHSA-N	428.344	6.448	50	40	IKGB	aggregator
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)c(OC)c1	9693331	HRGPDFQUQKMKCZ-FQEVSTJZSA-N	449.576	5.047	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCCCOc1ccc(C)c(C)c1	13896920	ODTSMBONHPOSCJ-TURZUDJPSA-N	446.547	5.314	50	40	IKGB	
N#C/C(=C\c1ccc(N2CCCCC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	33412294	VCQNXPXNNOLARS-SFQUDFHCSA-N	434.540	5.174	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C(C)(C)C)c1O	58951614	GVSQFODKNDMYDP-ZMOGYAJESA-N	431.374	5.514	50	40	IKGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1)c1ccc(Cl)cc1	59101418	HMKOHELUPCNISV-WPWMEQJKSA-N	443.890	5.114	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1	59117070	LBBDGFSTAOAYOW-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1	408567012	JYBWFMXXVPCTKA-OVCLIPMQSA-N	425.294	6.481	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1cccc(Cl)c1	408770867	AOXIHJWSJOOKND-NDENLUEZSA-N	433.939	6.080	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(Cl)c1	408880068	GUXMDIUYUUJBFQ-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1ccccc1	409000586	YYQKJGFLTUXWTH-KAMYIIQDSA-N	425.307	5.739	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	409214608	WKJKMUGHWNTADM-YBEGLDIGSA-N	429.270	5.385	50	40	IKGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	409221109	LAMNNWRDGSEBKI-ZSOIEALJSA-N	438.833	5.702	50	40	IKGB	
CCOc1ccc2c(c1)C(=NNC(=O)Nc1ccc(Cl)cc1)c1cc(OCC)ccc1-2	2275786	CZRADGJIIAVQBC-UHFFFAOYSA-N	435.911	5.692	50	40	IKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(Cl)c3)n2)cc1	2283454	HRGOLDOECWQIPO-SFQUDFHCSA-N	428.388	7.292	50	40	IKGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1O	8952550	RSGLEGBUSVISNE-GZIVZEMBSA-N	443.739	5.730	50	40	IKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)c2n1	9043560	UGTZKAOSFGWJKE-SFQUDFHCSA-N	447.361	6.406	50	40	IKGB	
N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	13774168	HXDIEMJFHGRIQH-FLIBITNWSA-N	441.170	7.400	50	40	IKGB	
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1	19814707	AIIBMVWWNYVFQZ-QHCPKHFHSA-N	441.579	5.340	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl	169881183	SYGYOTDXKXDXOY-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21	208243449	OYUCOUHTQCLCIM-CIKBWMHTSA-N	428.363	6.261	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3F)o2)c1	252479273	BCISMDILEKANLY-GXDHUFHOSA-N	425.257	5.702	50	40	IKGB	
Cc1cccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C	408552910	LQRDDYMDALROPJ-QGOAFFKASA-N	426.545	5.452	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1C	408598581	DYXXPAKWNKJURS-QGOAFFKASA-N	428.517	5.414	50	40	IKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408753878	KVQFLMRFSREYKI-AUEPDCJTSA-N	445.331	5.372	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(C(C)(C)C)c1O	408761617	HGPUAVXDUWKNKW-RWPZCVJISA-N	433.552	5.065	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	408762450	KUQPTUJKEGSOAN-RGEXLXHISA-N	444.874	5.307	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)c1	408774128	BDVUGUIORHVMRH-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1	408796481	YKORRIIXACLEKO-RCCKNPSSSA-N	444.462	5.127	50	40	IKGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408862919	JNJNNXJQMIJCAH-VULFUBBASA-N	426.303	5.400	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccc(C)cc1	408899454	PMNDEMPGHKMHSA-OGLMXYFKSA-N	438.483	5.140	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408967345	PZXNBAJDJAPJTH-CEUNXORHSA-N	438.575	5.946	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1	409022209	JKYQBGWYGCLLHM-KAMYIIQDSA-N	426.950	6.107	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccccc1	409075104	UKUDHSBYEWTSDU-LFVJCYFKSA-N	440.499	6.365	50	40	IKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1	409186879	JADRBLVJWNNBOL-UUYOSTAYSA-N	432.954	5.335	50	40	IKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409187820	UQNRDOXNDAIILJ-ROTLSHHCSA-N	438.858	5.796	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc(I)cc1	409369851	ZZFJOXCHDMCHSK-WJDWOHSUSA-N	441.224	5.314	50	40	IKGB	
COc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1	1084641346	FJVXHLAQAISCNR-UHFFFAOYSA-N	426.479	5.230	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1	14166213	VUBLPAJFMGUGLR-MWAVMZGNSA-N	439.603	5.696	50	40	IKGB	
O=C(NN=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1	48508629	ZGOWWMZNWXTZLC-UHFFFAOYSA-N	431.750	6.218	50	40	IKGB	
N#C/C(=C/c1ccccc1I)C(=O)Nc1ccc(Cl)c(Cl)c1	59117556	SLBSPFBNMPYQQP-XFFZJAGNSA-N	443.071	5.144	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	59447409	VZTSRGDPJUAZBH-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	100860036	PFOREVBPLYUHOR-JXAWBTAJSA-N	438.394	6.892	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	408599706	YTWULQCGEWOUPO-ZMOGYAJESA-N	425.872	5.570	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Cn1cnc2ccccc21	408691598	HKVJPZXWRRNYPY-BOPFTXTBSA-N	441.403	5.252	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C(C)C)cc1	408708794	STXDARBBEJXIMD-JFLMPSFJSA-N	448.954	5.604	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1	408762541	PACMXVVTSHJYHD-XMHGGMMESA-N	446.890	5.504	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1C	408777565	CEPXYZPHFVKXPE-UCQKPKSFSA-N	427.548	6.044	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)c1	408815639	SWCCWZYSPITTSP-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
O=C(N/N=C\c1cccn1-c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408849823	ZPNNGGBFOZGWNQ-CEUNXORHSA-N	438.575	6.101	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1	408871202	YKLWHEHSENGRCB-CIAFOILYSA-N	435.354	6.747	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1	408880056	IPNLUOZHJNPFCE-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	408882609	PJKSIZQVEJAFJB-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)c1	408965494	HTBHLOWMEBAEBO-MTJSOVHGSA-N	438.449	6.354	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1	409085662	ZLEPYCNMOPSOMC-RVDMUPIBSA-N	427.376	5.236	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccccc3)c3ccccc23)cc1	409209309	FMSKUTCBUVSRCE-JZJYNLBNSA-N	437.499	5.275	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409393498	XUOSUWVBIOMCKC-LGJNPRDNSA-N	448.866	5.224	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCC)cc3)o2)cc1	1512835	GPXKMUCWHPFHBK-XDJHFCHBSA-N	430.460	5.068	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccc(Br)cc2)o1	2291241	BFHBTIVUTRKLMR-IBGZPJMESA-N	439.309	5.160	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(F)cc1	3231317	QEBUKSQRNYDNDR-CAPFRKAQSA-N	436.442	5.744	50	40	IKGB	
CCc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1	12436833	PYQGIIQARQEZNJ-DEDYPNTBSA-N	434.520	6.696	50	40	IKGB	
Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)c1	13894983	MYKADZZQNFUPAD-TURZUDJPSA-N	445.563	6.122	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1	15277317	MRGWHQPOTSKRHE-CPNJWEJPSA-N	446.959	6.992	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1Cl	33959679	DWBXUFODWVAMHC-FOKLQQMPSA-N	435.332	5.406	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1	34688856	YZZKNYZZNBAYQB-HMAPJEAMSA-N	426.472	5.072	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1	59920864	GSDXSJYMIILVET-XODNFHPESA-N	446.400	5.196	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)o1	408782991	JDKGCMXDXUPMGF-WJDWOHSUSA-N	447.447	5.196	50	40	IKGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408867105	JJFZWKYCYQHQDY-BRJLIKDPSA-N	440.334	5.121	50	40	IKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	408883690	WAQJIPYNOWJNSE-XYOKQWHBSA-N	440.124	5.700	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc32)cc1	408985341	WNIFNPRCPZLVMB-BKUYFWCQSA-N	439.946	6.506	50	40	IKGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)C2=C1CCCC2=O	409141623	WDJHOIKARXTGTQ-AREMUKBSSA-N	435.527	5.149	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(F)cc1	409221842	AZQZNNHHCUXJAC-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1cccc2ccccc12	409323246	ZYUBGFCZVVSBEU-PXLXIMEGSA-N	440.340	7.245	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)ccc1OCc1ccccc1	3089300	QPTUQFCPZYGLGB-KKMLCIJBSA-N	448.588	5.436	50	40	IKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)Nc1cccc(Cl)c1Cl	3303946	NFJSWRDVDBFZIA-UXBLZVDNSA-N	449.187	5.742	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	6280475	ZPZZNVSPBJYXBP-VULFUBBASA-N	435.593	5.103	50	40	IKGB	
Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1	9375109	QAHOMZIKUUTGAN-LYAQUOHRSA-N	436.515	5.393	50	40	IKGB	
CCOc1cc(C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)cc(OCC)c1OCC	12573859	PEVWATOWYYDTFG-YZSQISJMSA-N	442.556	5.072	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC3=C2C(=O)CCC3)o1	13174367	QOMWCQPDLZXDBA-QHCPKHFHSA-N	447.560	5.006	50	40	IKGB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=N\NC(=O)NC2CCCCC2)cc1	13895773	HELUQJYLLXOEOZ-XYGWBWBKSA-N	429.948	5.072	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	20197562	GPKXXMVQIIGPFB-LQKURTRISA-N	445.950	5.896	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(C)cc1	35351310	HOCJWWQMYFRTMM-JAIQZWGSSA-N	443.934	6.485	50	40	IKGB	
O=Cc1ccccc1OCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104086782	HUVNBWGPJRBCDP-UHFFFAOYSA-N	440.523	5.385	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1Br	108229342	JMEHVLIETIEBET-XMHGGMMESA-N	433.305	5.574	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2C(C)=CC1(C)C	208516102	IQTZBORHGARILC-LGJNPRDNSA-N	430.379	6.088	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408692933	YUQFUKFEERAEGM-KBKYJPHKSA-N	433.314	5.102	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC	408753792	NVMLISGXXKTQAQ-QPEQYQDCSA-N	435.705	5.055	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1	408795917	NOPUMGYNLIKPOE-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c(C)c1	408817290	LDGRPXLBMNEBGY-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC(C)C	408833436	KFDZTOSIOBNDCE-CXUHLZMHSA-N	444.915	5.089	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1	408877429	VVGMFZYAIOXGAO-HKOYGPOVSA-N	434.514	6.678	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1	408910057	VWLPVSYIXUXRGJ-VULFUBBASA-N	445.346	6.043	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1Cl	408997546	NCGBNKXPLVIXQV-BRJLIKDPSA-N	430.266	5.149	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)c1nc2ccccc2o1	409046474	KUXQZOJVFGAVPL-CXUHLZMHSA-N	439.273	6.917	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1	409047738	PHGOMFVYYZOWII-XDHOZWIPSA-N	447.878	5.638	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(F)cc1	409195969	XROZYNLLHWTUGB-STZFKDTASA-N	434.511	5.108	50	40	IKGB	
Cc1cc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)cc2c1	898875	NCQWKQUIBFRIQL-OAQYLSRUSA-N	441.922	5.217	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	2077113	HCKFXCLZDCXXGX-AFUMVMLFSA-N	447.585	5.426	50	40	IKGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1	20133456	HNLYROUNGSKBPT-QGZVFWFLSA-N	437.334	5.372	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1	59436952	RBSNOAGJCNBZGM-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	59473392	WDAHAQHKDKHTJQ-JZCUADNKSA-N	438.936	5.190	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccccc3OCc3ccc(Br)cc3)nc2c1	107930792	XMJZLRCCAICBBT-UYRXBGFRSA-N	444.332	6.277	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1F	408582028	LEKLOIHKFWPJAD-FYJGNVAPSA-N	433.479	5.885	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1C(F)(F)F	408604573	VKPIIDAYQXWXAB-VROXFSQNSA-N	437.761	5.291	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1	408741396	PNXIBVHSJBLQBQ-WQRHYEAKSA-N	442.715	6.885	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c(C)c1	408743881	CECLURZOJMNANI-MOSHPQCFSA-N	447.922	5.388	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1	408795029	KWFBTMSERIALAK-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408815632	XLJVIMAIVOKAQO-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
CCc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C	408852215	DLFLFOTWTSFLAO-MXAYSNPKSA-N	438.915	5.164	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)ccc1Br	408858895	RGLMEJJVLUNOLR-UUYOSTAYSA-N	431.721	5.357	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	409118624	PYOFIGQXCAGPMA-REMUQMNCSA-N	433.360	6.193	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc2ccccc2c1	409241713	TYDVXZQMKNSTCI-IMRQLAEWSA-N	433.555	5.903	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	409253575	XCQQRFKVWRELFV-AJBULDERSA-N	444.534	6.265	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1cccc(C)c1	409333908	KGSQAIDHOWGLSR-KQWNVCNZSA-N	448.522	6.239	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c1	409363558	MHUOMQVQYAQKEI-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl	409368230	VANTVALAUHNGAC-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	954269	BUZUBASAIHZIEJ-LZYBPNLTSA-N	428.344	5.895	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C/c3cn(Cc4cccc(C(=O)O)c4)c4ccccc34)[nH]c2c1	9263519	ZFCGMASTSFHHRK-DEDYPNTBSA-N	432.483	5.637	50	40	IKGB	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(/C=C(\C#N)C(=O)c3cccc(OC)c3)c2)c1	15349335	XPFNRDRGPVRLOW-RNIAWFEPSA-N	448.478	5.284	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(C)cc1	20195213	KOQKRIJLTLRIJU-OGLMXYFKSA-N	430.548	5.282	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl	33702498	KEAUEJUDYVXTQG-MSXFZWOLSA-N	445.306	5.002	50	40	IKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	59116683	OQATYGMLPWPLJO-DEDYPNTBSA-N	447.332	5.882	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccc(C(=O)O)cc1	107850870	OSGGITRMUKJWJB-QPEQYQDCSA-N	429.215	5.924	50	40	IKGB	
CCCCC[C@H](/C=C/[C@@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC	195773473	UOHYGYKCCYPZLJ-VJRTUBGBSA-N	428.686	5.498	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)Cc1cccc2ccccc12	408535499	ZHTMGDSUYVSXQB-XYGWBWBKSA-N	439.353	5.474	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1	408543805	QWFMIHISFUZACT-UDWIEESQSA-N	443.934	6.485	50	40	IKGB	
O=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408728894	WFWGUUSVURCCOJ-NVJOKUIPSA-N	443.856	5.643	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408752027	BGZDRUWYDBPEIG-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	408817381	TWEFJRATKIZIQD-CJLVFECKSA-N	434.495	5.979	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408867793	NSPWPLFGHVRXBH-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408884530	ULWPXGCMUMTMRM-NTEUORMPSA-N	434.279	5.626	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccc2ccccc2c1	408897094	VOEGFXWBBDNUNC-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
O=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccccc2)OC(c2ccccc2)=C1	3145397	LZPVGBOZNDKSFX-UHFFFAOYSA-N	434.475	6.482	50	40	IKGB	biogenic
CCc1ccc(N2N=C(C)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1	8442817	UATXFPVMZSEFHY-JWGURIENSA-N	430.379	5.339	50	40	IKGB	
CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccccc1)N=C(O)[C@H]2C#N	8969982	NFLUXWGKDFCODQ-COYKAVQBSA-N	436.581	5.426	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccccc1Cl	9203514	CHISTQZQFJPTRI-ZMOGYAJESA-N	444.760	5.203	50	40	IKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1	12591615	NTLRNOSPVUHVIR-NTUHNPAUSA-N	433.823	6.037	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OC	59201274	XVFUCWRUFKZZLW-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	108923400	QXFNOICSGKZYMI-DHRITJCHSA-N	449.850	5.434	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408790570	QERAKZUOUMURRS-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	408794073	RHDMVSZLBSEDOV-XNTDXEJSSA-N	441.270	5.586	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1C	408855619	FCJXLOSXNPNRHC-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)cc1	408936996	LWSDMQVZKVGZFJ-ULJHMMPZSA-N	448.522	6.363	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1	409044537	GVOPDICLKVOCIV-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl	409232692	OVORJPARDVXFMQ-ZMFRSBBQSA-N	431.294	5.404	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(I)cc1	409372841	OIPFIBRMVSCNSQ-PTNGSMBKSA-N	442.212	5.524	50	40	IKGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1	16890448	NOSVKQVKAZVBFN-CJLVFECKSA-N	442.588	6.793	50	40	IKGB	
COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC(=O)CCl)n2)cc1	16956879	QMMPLUQUGKFFDN-UHFFFAOYSA-N	438.940	5.157	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1	59335472	MEWPXBFMHTWUCN-ODLFYWEKSA-N	433.895	5.300	50	40	IKGB	
CCc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98043373	MKZMONGFFNPKKP-HOTGVXAUSA-N	441.119	5.240	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Br)cc1	408529141	IJKSNJFJDRSJNY-LCYFTJDESA-N	429.657	6.335	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1Cc1ccccc1	408555832	YLYJYABKWYICTA-FYJGNVAPSA-N	440.572	5.511	50	40	IKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408795895	NNRNPTQPPCHDOS-VZUCSPMQSA-N	430.118	6.245	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(C(F)(F)F)c2)cc1	408809752	HXSZQUNWMSJEHS-LQNQUEJISA-N	447.460	6.235	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12	408867350	LQBZBSHQVFHOOZ-XIEYBQDHSA-N	432.523	6.527	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Cl)c1	408870889	WACFHYDDVISFIC-ZMOGYAJESA-N	428.963	6.710	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccccc2Cl)c1	408889150	AGMQZEVQEIKRFJ-LDADJPATSA-N	434.879	5.179	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)c([N+](=O)[O-])c1	408890684	XOLBPUXAQRLHBY-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc2ccccc12)c1ccccc1	409241975	PLRAHTNTFBQSJF-OIHNEICTSA-N	432.523	6.203	50	40	IKGB	
O=C(c1ccc(Br)s1)[C@@H](Cl)[C@@H](Cl)c1ccc(Br)s1	1685381	XPMPRVLKIPQPMA-UWVGGRQHSA-N	449.016	6.105	50	40	IKGB	
C/C(=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc2c3c(cccc13)CC2	8427424	KLWKNMIKYKWFQN-ZRGSRPPYSA-N	447.749	5.818	50	40	IKGB	
CC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1	8766963	XMIBIOZQWKCBFU-KDJFERLWSA-N	434.539	5.520	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c1C	9261943	UVQAHBCCNAFAEP-JFLMPSFJSA-N	425.488	5.018	50	40	IKGB	
Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	9445027	OMQRRTRWWNGOET-GXDHUFHOSA-N	430.758	6.511	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250035	JWGLIXBEOZTPPU-NRFANRHFSA-N	429.372	6.212	50	40	IKGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1	13027806	NOWYLIOCAIBKMQ-HYARGMPZSA-N	430.573	6.939	50	40	IKGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC	20916117	PVAIRNSICUZRPG-MHWRWJLKSA-N	437.293	5.165	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	34771248	BTJXAHBPJYUBFM-BKUYFWCQSA-N	444.462	6.114	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(C)c1	59232911	AXEQCIQIQXFHQM-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c1	107678624	JCIRGYFSALCJTH-MZJWZYIUSA-N	447.922	5.124	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl	169881188	JYYRVPHXNDYMFZ-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(Br)cc3)cc21	208237520	JWVWXJWUZURKRE-KDVQLTRESA-N	429.789	6.889	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	408534079	USUBEINRSZYKLV-RPPGKUMJSA-N	429.351	5.272	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OC	408582318	MXSDXFJNYLYDJD-RGVLZGJSSA-N	449.890	5.699	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1	408582387	NOEZHEAVCSGAHR-HEHNFIMWSA-N	441.508	5.680	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(F)cccc3Cl)cc2)cc1	408600276	AZTVWYDIQVOZAJ-LGMDPLHJSA-N	436.870	5.612	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1	408744345	XWNWYMXMAAQPEU-MOSHPQCFSA-N	443.459	5.118	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1	408746589	FQSAKSWEZSMYOB-UUYOSTAYSA-N	446.934	5.459	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1-n1cccc1	409021900	FBRWXMVLYBILCF-BUVRLJJBSA-N	437.977	6.107	50	40	IKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1	409187579	SCLARKWZAYXWON-CFRMEGHHSA-N	428.941	5.484	50	40	IKGB	
N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1	409195421	IRIDECONTXJKOM-SODVTCOWSA-N	438.314	5.330	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)c4ccncc4)CC[C@@H]32)C1	2038441020	PXMZBKQJYAKCCM-WZMXMCCWSA-N	449.595	5.062	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	3289839	MZHANFQMBKQIII-AQTBWJFISA-N	436.389	5.470	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	8397232	NYRFJNVSJPWUNZ-CSKARUKUSA-N	435.267	6.141	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1F	58871286	XEELQQHGKPTCCC-BRJLIKDPSA-N	430.266	5.149	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1	59249232	SLOLOEFZAHXOAU-SRZZPIQSSA-N	435.730	5.611	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)c1	59336033	AJGLZVHKCVOHHA-UYRXBGFRSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c(C)c1	102927610	SYCCNBGYAAWDBK-JOCHJYFZSA-N	433.533	5.538	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1cccc(F)c1	108159904	MEEOTORZSGDWIF-WYMPLXKRSA-N	436.468	5.120	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	408816758	UNXWLFWDCKEVKL-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1	408881132	JRUORVFTPSJCIG-RCCKNPSSSA-N	431.333	5.894	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1Cl	408884880	VWBDCDWVDBSYSP-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408965870	JMLYTCBBRDGUFU-PKAZHMFMSA-N	432.568	5.946	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	685953	CKJNCOTXWNJWCO-QFQXNSOFSA-N	432.527	5.089	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)cc1	2090959	OECQSEBWJIGHGA-WPWMEQJKSA-N	425.488	5.073	50	40	IKGB	
C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1	9849410	OHSKGFAGVSLNJX-ANYBSYGZSA-N	435.527	5.825	50	40	IKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1	12565929	IDQIBYZVMHSDCR-JVWAILMASA-N	435.911	5.031	50	40	IKGB	
N#C/C(=C/c1ccccc1Br)c1nc(-c2coc3ccccc3c2=O)cs1	16448913	UGBQOPJCKRFLOK-ZROIWOOFSA-N	435.302	5.743	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc(Cl)c1Cl	59117337	DQUIOVIOABTLRL-SDNWHVSQSA-N	427.243	5.351	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccc(Br)cc1	59301850	XVDQLKKIKMFTSI-QINSGFPZSA-N	428.127	6.066	50	40	IKGB	
N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccccc1F	104126143	LIINXMRVVFMYHD-HSZRJFAPSA-N	447.535	5.145	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc4ccccc34)cc2[C@H](C)CC1(C)C	208317395	BCCQYCNTEJJQLH-WBDLXYTISA-N	443.591	5.789	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@]12C	253618465	QNEPTKZEXBPDLF-HFSYBTEJSA-N	449.119	8.772	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC	408543827	RIVTWMIQQGSRKI-OVCLIPMQSA-N	426.314	5.414	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2)ccc1OCc1ccccc1	408720348	ZPIBDOHUNJAUHY-WGOQTCKBSA-N	434.561	5.048	50	40	IKGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c1)C2	408734306	QHQQBRZQAOKJMM-WKULSOCRSA-N	435.527	5.446	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	408784429	SMLNTUYKRUPPLH-PDGQHHTCSA-N	436.870	5.612	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1	408809442	HNYNEXHWFSQLPK-ZNBBLSJYSA-N	447.362	5.793	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	408867374	LYWLSKMORPGQAO-CIAFOILYSA-N	435.354	6.747	50	40	IKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1	408879862	HMFGXALABACXBK-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1	408891828	VWYAGMAZOVMKMQ-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1cccc(Br)c1	408892133	BHFJXLNEVWYWJL-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1cccc2ccccc12	408915762	ZVBQEIBEMYJGBX-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409045367	GMOLANZYUVADLC-RQZCQDPDSA-N	443.261	6.684	50	40	IKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1	409264224	NWGCSKWWMPOMBR-LDADJPATSA-N	433.851	5.330	50	40	IKGB	
Cc1ccc(C(=O)NN(C(=O)NC2CCCCC2)c2nc(-c3ccccc3)cs2)cc1	1415224	FVHGHWZKSYICDF-UHFFFAOYSA-N	434.565	5.312	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	9693297	WUAFXVAICISLDN-SFHVURJKSA-N	427.982	5.281	50	40	IKGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)C1	12404056	QENMGFOYQMOXLS-ZIVBAMNXSA-N	443.591	6.255	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccc([N+](=O)[O-])c1	34864814	GPJMLXUUVHSIOV-WQRHYEAKSA-N	448.309	6.969	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	59336451	LYSHJTMOYIWAFS-ZROIWOOFSA-N	449.721	5.603	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1	101457759	MPBDQNSZOGNPBH-FIKCODCVSA-N	430.976	5.997	50	40	IKGB	
CCCCCCCCCN[P@@](=O)(OCc1ccccc1)N(CCCl)CCCl	104199505	WJVRDFXZNLTYLF-HHHXNRCGSA-N	437.392	6.431	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408579027	CKODKPXGOLOUHC-CPNJWEJPSA-N	439.920	5.489	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1cccc2ccccc12	408725926	ODXUMMOLANRDEN-JVWAILMASA-N	428.488	5.483	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408745299	QYIZUOXKEYAMMW-UQQQWYQISA-N	448.522	6.363	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc2ccccc2c1	408779755	JVUNQJYJIVZOHZ-UUYOSTAYSA-N	448.950	5.902	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)c1	408809190	NKWDGROCSHOWJV-DIWDRYHZSA-N	433.555	6.091	50	40	IKGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408833307	TZZBNSWEXZZSME-OGLMXYFKSA-N	440.568	5.970	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	408889104	DQKBXGHIDRCLPI-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409079691	LVESSRDVYIFQGG-BOPFTXTBSA-N	444.403	5.149	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccccc3)c3ccccc23)c(C)c1	409218084	YLSFFESCKJQVHY-XLNRJJMWSA-N	435.527	5.883	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409239231	OWKPNSHZNSUADO-IZQLPPHKSA-N	426.944	5.182	50	40	IKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2cccc3ccccc23)c(OCc2ccccc2)c1	409328109	ZIDBUZKIPMOBQG-XHPQRKPJSA-N	432.567	7.329	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1	1789635	MRBYJZLAAPDWLJ-FSJBWODESA-N	445.997	5.495	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	14408744	JIJSCBLNJKBZFT-UXHLAJHPSA-N	447.538	5.544	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1	15979506	LHKFHTUCWPNDEK-XDJHFCHBSA-N	442.475	5.307	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1	32125014	FIPYDYSYFJNVKF-AQTBWJFISA-N	445.500	5.609	50	40	IKGB	
N#CC1=CN2[C@@H](C=C1)[C@H](C(=C(C#N)C#N)C1CC1)[C@@H](c1ccccc1)[C@H]2C(=O)c1ccccc1	100709838	KPMYTGOXYTXWGB-VWEWBFCZSA-N	442.522	5.053	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	108093407	QUOVTGSLLHIBDO-JVWAILMASA-N	446.959	6.417	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21	208206631	IMLKGWIRANXLJB-NDUKVXLSSA-N	434.367	5.245	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260573351	YHTFJFYHEMUZBL-KDVQLTRESA-N	442.390	6.570	50	40	IKGB	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408768837	KCCIDLBEAWHXMP-UHFFFAOYSA-N	429.392	5.133	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1cccc(F)c1	408802248	YQMNZHROTGFQOQ-XMHGGMMESA-N	427.454	5.822	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c2ccccc12	408806078	APJHLCINKKSJCV-LDADJPATSA-N	434.923	6.082	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)c1	408878116	ZXBFRQUZJVLDGN-CIAFOILYSA-N	435.354	6.747	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1	409010264	BJJRUQOPZZDBGT-VUTHCHCSSA-N	439.559	6.190	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc12	409032006	BVSWPXQMTAVMDO-MIXAMLLLSA-N	431.495	5.828	50	40	IKGB	
Cc1cccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1C	2285491	ZTWKXHKCXBQSRJ-RGEXLXHISA-N	449.535	6.663	50	40	IKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)cc1	2764554	OXRITYDEHOBGDO-UHFFFAOYSA-N	444.579	5.476	50	40	IKGB	
CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)cc1	9299689	FIPNLQBPPFDUKS-VOHAGXJVSA-N	445.563	6.204	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1O	20794184	RRFHFNDPXNWVTL-ONNFQVAWSA-N	442.096	5.016	50	40	IKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccs2)cc1	33466822	XYXWDOAGHIMVSL-HMAPJEAMSA-N	445.569	5.307	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1ccccc1F	33659435	IYZDIGLAOCBGAC-ODLFYWEKSA-N	433.280	6.103	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1	59201232	XRTAAXLIEWGYKN-XMHGGMMESA-N	441.918	5.897	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	59436998	BUYCVXLAKMZPBF-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC	59473462	FPNWCVLTAZADED-AFUMVMLFSA-N	440.952	5.413	50	40	IKGB	
O=C(N/N=C\c1cc(Br)cc(Cl)c1O)c1cc2c(ccc3ccccc32)o1	68736166	ARZPLQNDFIWZFY-RMORIDSASA-N	443.684	5.471	50	40	IKGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(SC#N)c([N+](=O)[O-])c1	101123669	HZSGSFNIMLSSPY-LDADJPATSA-N	429.461	5.040	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1OCC	108241864	FTRBJCJJLAWQLL-XNTDXEJSSA-N	426.950	6.017	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21	208249346	PXCAIWXNNLPMBP-AKBIMGJMSA-N	434.971	5.617	50	40	IKGB	
N#C/C(=C/c1ccccc1Sc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408551523	DLLYYVDFODVATH-JXAWBTAJSA-N	441.581	6.195	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Br	408580288	NXOMKJSQMSVFOP-CXUHLZMHSA-N	435.159	6.373	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)sc(N)c1C#N	408723754	JQPGBIIPXZWUAG-CCVNUDIWSA-N	440.528	5.007	50	40	IKGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408726230	AOURXGJDCHEABN-NVJOKUIPSA-N	427.401	5.129	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1	408760259	VOFYAPSSBCMNEH-MOSHPQCFSA-N	448.364	5.965	50	40	IKGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)n2c1	408875121	FYPCHFFKYPQFCO-VROXFSQNSA-N	427.291	5.282	50	40	IKGB	
CC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)o2)cc1	408905263	WDARRKXKTBECDN-FMCGGJTJSA-N	440.297	5.376	50	40	IKGB	
N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1	409198794	LAQCJLYASXIWNG-XYGFXTTESA-N	438.314	5.330	50	40	IKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	409246997	FPVMYNGCVAWNJF-WJDWOHSUSA-N	430.335	5.538	50	40	IKGB	
N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	1837289	UJXLMXKVGXVXIG-JLHYYAGUSA-N	427.283	5.457	50	40	IKGB	
Cc1c(/C=N/NC(=O)COc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1	3145925	YYFSUHORARXVAS-UXHLAJHPSA-N	447.538	5.680	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3cccc(Cl)c3)cc2)cc1	3661196	NGPCNFHDDPGHGO-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1Br	9288138	FMBIVVIHNTYBTQ-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
O=C(N/N=C/c1cc(-c2ccccc2Cl)c(-c2ccccc2Cl)o1)c1ccncc1	16958088	XDKREKTVUNWKHY-MZJWZYIUSA-N	436.298	6.079	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	58871566	ARNPVVCLLLOGNZ-RDRPBHBLSA-N	438.527	5.890	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(F)cc1	59535739	DDQFCJYBLPPILE-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O	100500834	HVBHGSAKJPNTEH-UPVQGACJSA-O	447.124	7.179	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl	107704342	WRZMQBMCBYFIHF-WQRHYEAKSA-N	442.317	7.174	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1Cl	207156461	FUMYDNVSPOXWDZ-QWQBBLJPSA-N	446.934	5.712	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)CC(C)(C)N2C	208232721	BLOPLYIJFWFFNH-MBBOSUJBSA-N	442.390	6.570	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1cccc2ccccc12	408586537	CKMWCJMWSKOMRE-CVKSISIWSA-N	446.348	5.774	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1	408718768	HDKZOZKCHZOFGO-WNEDYOFLSA-N	440.971	5.594	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	408727081	YENNLULIMBSOJA-BOPFTXTBSA-N	441.325	5.131	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	408746476	ZLXDATPSQLTWGF-HKWRFOASSA-N	439.490	5.773	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C)cc1	408791555	YQDNBSQGUHHZDR-YBFXNURJSA-N	448.906	5.487	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1OCc1ccc(F)cc1	408855845	OMXNAAKNVMSJOO-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(C(F)(F)F)cc2)cc1	408950843	UJCUAHAOCSXEES-LQNQUEJISA-N	447.460	6.235	50	40	IKGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1	409390493	DIIIKYDZTSNRBP-MTDXEUNCSA-N	438.483	5.015	50	40	IKGB	
CCOP(=S)(OCC)SCc1c(-c2c(Cl)cccc2Cl)noc1C	2581890	PDPPFJRIYRWOCU-UHFFFAOYSA-N	426.327	6.488	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3/C(=N/NC(N)=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C	4293146	CQCNMHGZPMKDSP-SNTRCMNSSA-N	445.648	5.259	50	40	IKGB	
N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2ccc3c(c2)OCO3)cs1	9057836	KGURAVBMKOSZJF-UKTHLTGXSA-N	447.463	6.127	50	40	IKGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	13658762	PBCWUPVYGJONSS-SXGWCWSVSA-N	425.307	5.423	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1O	14134734	XXLYFZBHNLYDEG-RPPGKUMJSA-N	438.314	5.466	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2[N+](=O)[O-])cc1	14361464	RHSOLCWQPZRDGE-RCCKNPSSSA-N	443.528	5.320	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)cc1Cl	14408649	WQDVVBCKWSZOBT-LSHDLFTRSA-N	433.689	5.140	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59334451	RDJHDTLGTKDXRR-CFRMEGHHSA-N	427.592	5.557	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)cc2)cc1	100813529	XKNCIDWHQQPVIT-OKCPDPMRSA-N	446.978	6.070	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408540851	WMUINODQPQSGFI-LDADJPATSA-N	448.788	7.134	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1	408711717	HMMRDSDMXDNYKO-CEUNXORHSA-N	438.527	5.510	50	40	IKGB	
O=C(N/N=C/c1ccccc1O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408723985	BRZLHCSJVMSTFI-MTDXEUNCSA-N	432.483	5.162	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1	408776120	UHOWGSWUVIZSDT-WKIKZPBSSA-N	433.861	5.459	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1	408882796	OBCODTAADCJUOI-VXLYETTFSA-N	439.317	6.577	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408965842	IZKKNIKURAZTPK-VUTHCHCSSA-N	438.575	5.946	50	40	IKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	409214320	WXPWJUBRBWJVAO-NDENLUEZSA-N	449.304	6.309	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1	409273061	VCNCFEHPOLSGOV-FYJGNVAPSA-N	427.460	5.293	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1Cl	409375778	PDQSFDSHAMJJLF-YBEGLDIGSA-N	426.303	5.652	50	40	IKGB	
N#CC1=C(N)N(c2ccccc2Cl)C2=CCCCC[C@@H]2C1(C(F)(F)F)C(F)(F)F	12375630	MZNKXXPNPUPEHA-NSHDSACASA-N	435.799	6.039	50	40	IKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1	12492734	FKPBBMXKVALCCI-NTEUORMPSA-N	435.268	6.656	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1	15012556	CCHWZODQIYHGHL-BKUYFWCQSA-N	439.946	6.506	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1	20076143	FTYGHWQQVOVKRC-MZJWZYIUSA-N	438.358	5.316	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1	33716805	XDDYUBYECNDLTC-LGMDPLHJSA-N	447.422	5.471	50	40	IKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	35519475	KXLQDVJCAHKOBZ-LFIBNONCSA-N	425.315	6.922	50	40	IKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59297428	OZCIEOAMURJOBZ-SFQUDFHCSA-N	427.847	6.100	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	96840740	VVCSZDYCPSAANL-HZHRSRAPSA-N	430.511	5.669	50	40	IKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)c(C)c1	408735520	UFJUDUSZZMFRKO-HYARGMPZSA-N	444.962	6.698	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408800686	OMPJYHLMUVABOX-XNTDXEJSSA-N	431.717	5.521	50	40	IKGB	
COc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)o1	408948236	CKDTVHINFURKJG-JJFYIABZSA-N	433.689	5.135	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2cccc3ccccc23)c1C	408961949	VXRQDYNZLPDUCI-RHANQZHGSA-N	439.559	5.647	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	409037408	NMCGFHRLYSSVEO-ZMFRSBBQSA-N	436.298	5.678	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1OCC	409112559	DYIQVCJNEMXGIK-FOKLQQMPSA-N	441.380	5.174	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NCc1cccs1	409205930	RHSJHZFYUQSSLP-LDADJPATSA-N	431.948	5.628	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)[C@H](C)Cl)c1cccc2ccccc12	9057293	DUBCGRCIVZMUKM-INIZCTEOSA-N	438.358	6.148	50	40	IKGB	
C[C@H](Cl)C(=O)Nc1nc(Br)sc1Cc1cc(Cl)ccc1Cl	13131775	FEFNBJFBYLDHBZ-LURJTMIESA-N	428.566	5.369	50	40	IKGB	
N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	16671749	RREZJAMIFVCHHU-JLHYYAGUSA-N	427.283	5.457	50	40	IKGB	
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)CCCCl)cc3)nc2c1	17096726	VBCLIHSFECJZOS-AWEZNQCLSA-N	429.973	5.840	50	40	IKGB	
CC(C)c1cc(Br)cc2sc(NC(=O)[C@H](Br)C(C)C)nc12	20133396	JCDUVSBHOTZNCV-GFCCVEGCSA-N	434.197	5.540	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1OC	33574016	NANJDBCNNBVKFK-MDWZMJQESA-N	447.379	6.123	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1ncccc1[N+](=O)[O-]	408542134	GWUQSQJYKNRNBA-BOPFTXTBSA-N	441.447	5.348	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3ccccc3OCc3ccc4ccccc4c3)[nH]c2cc1C	408543019	MUFADRUSRMMCGK-XYGWBWBKSA-N	429.523	6.976	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC	408583949	YXEDCSXCPNTYOZ-FYJGNVAPSA-N	428.488	5.094	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408791457	XTIJSDDROMNHCZ-CXUHLZMHSA-N	429.303	5.258	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408893224	GDXCQIBLMFJQPM-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccccc1Cl	409064333	OYBVJQIHHYTMCN-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1Oc1nc(Cl)ncc1F	409318819	ZVQCHARVTVWQJH-PDGQHHTCSA-N	445.881	6.677	50	40	IKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccccc1	2316156	AISRMQDFRIXIQP-ZVHZXABRSA-N	433.558	5.118	50	40	IKGB	
CC(C)N1C[C@H](COc2cccc3ccccc23)O[P@@]1(=O)N(CCCl)CCCl	5461978	WKAGVXBUKRAMFF-WRHNGFHOSA-N	445.327	5.216	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)c1	33498442	OHPUIQAICJCPTK-LDADJPATSA-N	441.487	5.232	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	34848699	FTFPVTCQSRLAPZ-CCVNUDIWSA-N	449.913	5.812	50	40	IKGB	
Cc1ccc(Sc2ncccc2C(=O)NNc2ccc(Br)cc2)cc1C	40051923	HUBSAZYQDZGOKQ-UHFFFAOYSA-N	428.355	5.369	50	40	IKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4	44308050	FWPYIYVSYQRISA-LEOBWYFPSA-N	426.641	6.394	50	40	IKGB	biogenic,in-vitro
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)[C@H](C)CC(C)(C)N2C(C)C	223617838	RPIBJJAELVISFL-WODFAGORSA-N	445.529	6.278	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)ccc1OCc1ccccc1	408719586	GSSCTMQYUSOAOJ-DZTFFZQKSA-N	434.561	5.046	50	40	IKGB	
CC1=CC(/C=C(/C#N)C(=O)Nc2ccccc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1	408744750	ZSTKOTHPBDDEGI-GBIJUZDQSA-N	446.550	6.714	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408850827	RTEFFJYNXFPLHQ-JJFYIABZSA-N	433.689	5.177	50	40	IKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(C(C)(C)C)c1O	408897017	PSWQBJBAXUWHPN-XNTDXEJSSA-N	445.390	6.840	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)c1	409001012	OLBWVWKESWQAKH-LQNQUEJISA-N	447.538	5.680	50	40	IKGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409222614	CIQNFCGDEAUIDV-UVTDQMKNSA-N	449.354	6.061	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	16138451	AUWQDTYAWCEVGN-AFUMVMLFSA-N	449.304	5.677	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)c1	28217023	GYAXETJRWBQQPH-CVKSISIWSA-N	440.012	5.997	50	40	IKGB	
Cc1ccccc1OCC(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	32114545	WVYZAADRANTSCE-ZMFRSBBQSA-N	443.330	5.410	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)ccc1Br	35202286	BKLOOEVEGDVYHP-NDENLUEZSA-N	435.321	5.927	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1Cl	59445172	DGQIQWMABBACSM-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H]1[C@H]2[C@H](ON1c1ccccc1)[C@@H]1C[C@@H]2C[C@H]1Cl	245239970	IQANXENRXCCHTF-VLEFXOBNSA-N	432.745	5.084	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408798085	URNCGXROHCXWDH-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)n1-c1sc2c(c1C#N)CCCC2	408800143	LBCZBIVZAIRNCL-PJFFMODPSA-N	446.620	5.508	50	40	IKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408887683	SKBFSFUCTBIOQH-HMMYKYKNSA-N	440.449	6.243	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2)c1	408938723	RFUKPVQMOZFNFN-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1Cl	409001905	XRUKNTVYLPLKBU-VYYCAZPPSA-N	436.342	6.318	50	40	IKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@@H](Cl)c2ccccc2)cc1/C=C/c1ccccc1	4265884	YSMPRUOJLAHKGO-KFDAMUOLSA-N	443.286	6.933	50	40	IKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2cccc(Br)c2)nc1-c1ccccc1	9380098	DJXGTLMUWGDGLP-LFIBNONCSA-N	438.350	5.985	50	40	IKGB	
CC(=O)N(/N=C/c1ccc(C)cc1)c1nc(CSc2nc3ccccc3s2)cs1	9544491	NAKRQGSVOKONFK-SSDVNMTOSA-N	438.603	5.741	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	59117045	OTMYYHMKNWGWMS-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	100476977	YAWMHERHHQOSHC-LFIBNONCSA-N	432.348	5.268	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(NC(=O)Cc3ccccc3)Oc3c2ccc2ccccc32)cc1	199429774	CLNGFOPCJUBUJM-HHHXNRCGSA-N	430.507	5.767	50	40	IKGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1	408707188	HYCNUSHJTLIARH-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Cc2cc(C)cc(C)c2)c1	408869481	SGVBDJKAYMYYOC-YDZHTSKRSA-N	444.962	6.410	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	408927093	ZOXUPKFCTUXXKY-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)o1)C(=O)Nc1cccc(Cl)c1	408992081	QJRBNMPZALQVDE-JLHYYAGUSA-N	437.933	6.240	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1	409210641	LUCXQSNHLAZGKD-AFUMVMLFSA-N	425.985	5.552	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	409252728	SLHPXJKLDNBWLC-STBIYBPSSA-N	433.511	5.615	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl	409320421	BDJAZVAUPSKGQK-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCc2cccs2)=C(C#N)[C@@H]1c1ccccc1Cl	994160	LFNDOHCEJXTQMD-IBGZPJMESA-N	430.982	5.594	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1sc2ccccc2c1Cl	2293295	VPAILNPRNCUUOL-MZJWZYIUSA-N	443.959	6.322	50	40	IKGB	
O=C(N/N=C\c1cc(-c2ccccc2Cl)c(-c2ccccc2Cl)o1)c1ccncc1	5824205	XDKREKTVUNWKHY-VYYCAZPPSA-N	436.298	6.079	50	40	IKGB	
CC(C)c1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1	6147759	FVIAEYBIAUAKBG-JOCHJYFZSA-N	449.963	6.023	50	40	IKGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	12615022	IEVGNWVRQVGESM-HEHNFIMWSA-N	445.526	6.269	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1Cl	59535978	ZYGLHOAUMXTSIF-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl	104138180	OZQJEEFRAJASOL-FQEVSTJZSA-N	441.383	7.196	50	40	IKGB	
CCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	252489125	JGHCNAZLLUAJLJ-CJLVFECKSA-N	442.515	6.182	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408735028	MJPXJMKDAMUCQS-UKTHLTGXSA-N	431.706	6.761	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408766691	FBBPCJYBMBEGQV-QJOMJCCJSA-N	425.576	6.500	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Cl	408868303	NWPSLFDPPNAVSH-KGENOOAVSA-N	435.354	6.692	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1Cl	408877969	ZDCGUFSEPYBTJZ-VXLYETTFSA-N	439.317	6.577	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409087979	DHQHFIAFXNDGKW-SFQUDFHCSA-N	444.403	5.149	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCCc1ccccc1	409246544	CPSRCVKMUASAHA-QGOAFFKASA-N	425.315	5.909	50	40	IKGB	
CCCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1	3089814	VYJLIERDFONCEK-MTDXEUNCSA-N	447.510	5.411	50	40	IKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1I	3255374	PDGKAHHKXSMKPE-DTQAZKPQSA-N	446.288	5.016	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	6075491	IBVIUXFIMDWRBS-BUVHGOBKSA-N	449.598	6.241	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	8606275	QRMBWUULCXZWMS-UYRXBGFRSA-N	441.918	5.897	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(Br)c1	13659866	UDLQUERFIQCLLN-YUMHPJSZSA-N	444.332	5.818	50	40	IKGB	
COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2ccc(C)cc2)c2c(ccc3ccccc23)O1	13940548	FVOJVGWAJGDXFW-SANMLTNESA-N	446.506	5.846	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1	408580257	NNVSRGSRGWTYFZ-XSFVSMFZSA-N	432.907	5.820	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)cc1	408581682	YVHDMVGBHUBKKU-CAOOACKPSA-N	432.709	7.429	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	408708013	NFXCUVYMVWXRDE-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408719837	MUBDGRFVGCVDIC-FNVGFWRISA-N	440.568	6.050	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1Cc1ccc(Br)cc1	408781684	FDZKPGBHSQPCFC-PDGQHHTCSA-N	436.353	5.192	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1cccc(F)c1	408875008	HJBRYNSMVZXNBN-RQZCQDPDSA-N	438.861	5.763	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2cc(C)cc(C)c2)c1	408887813	RHCHPFKPUXIXNL-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C)cc1	408889454	HDYRJUCIAKVREX-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409022915	VYQOUHCMNPBODS-XKZIYDEJSA-N	431.970	6.107	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC	409030432	DETVSHVZQZXSKE-PKAZHMFMSA-N	425.488	5.073	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)c1nc2ccccc2o1	409047049	MIAUXZJYGIVMMQ-CXUHLZMHSA-N	439.273	6.917	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	409359918	CKNDTBXTQQRSGV-JAIQZWGSSA-N	444.443	5.365	50	40	IKGB	
Cc1n[nH]c2c1[C@H](c1cc(Cl)ccc1OCc1cccc3ccccc13)C(C#N)=C(N)O2	1086200	ANUDCVNLSUCGMJ-HSZRJFAPSA-N	442.906	5.322	50	40	IKGB	
Cc1cccn2c(/C=C(\C#N)c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)cc3)nc12	8855401	XWEXFTCZYSUZCI-SFQUDFHCSA-N	438.745	7.334	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OCc1ccccc1Cl	12585667	QQEJWROQUBUXGZ-LDADJPATSA-N	432.932	6.601	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC	16436867	NZISPWIGXRUING-RIYZIHGNSA-N	449.732	5.364	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccccc1	34720877	AIQXJUBMWHUBOQ-HAHDFKILSA-N	435.527	6.252	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1Cl	34828993	YUHVZEIXDIUPIN-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccccc1	35087900	JSQNEPULFFQHID-IWIPYMOSSA-N	425.484	5.765	50	40	IKGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	59473106	VQWIRAGPPWQRPH-TURZUDJPSA-N	440.568	6.051	50	40	IKGB	
N#CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3ccccc3)[C@H](C(=C(C#N)C#N)C3CC3)[C@@H]2C=C1	100709836	KPMYTGOXYTXWGB-WHENYANWSA-N	442.522	5.053	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	408537067	CBJQBUKPFQCEMY-UYRXBGFRSA-N	426.944	6.162	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408769600	WMCXNCWHZDFYFN-HMAPJEAMSA-N	447.966	5.758	50	40	IKGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408854690	BISLTLPVHGYCBZ-XFXZXTDPSA-N	439.762	5.622	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC(=O)c1ccccc1	408891500	RMRRPSJBNVNJRY-CJLVFECKSA-N	448.478	5.613	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1	408967220	RBLZSXIINVKUFZ-JCMHNJIXSA-N	436.515	5.587	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1cccc(F)c1	409050893	CIIUADVJILIADB-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1	409267098	LXDWTMAKPKXXBD-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1	716009	ALHOJHULCNDBIA-XMMPIXPASA-N	444.531	5.034	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc1[N+](=O)[O-]	1011376	SBSJBKYIAPWHAS-VULFUBBASA-N	439.427	5.827	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(COc2ccc(Cl)cc2)c1	1073912	YOPQCXWWTHGSLM-QFIPXVFZSA-N	434.923	5.370	50	40	IKGB	
CC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2C)cc1	2301038	SJWYCUQDFFAANB-MFKUBSTISA-N	433.511	5.996	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc(-c2ccccc2)cc1	8972702	QVHAJIZNBWAECC-DICXZTSXSA-N	449.341	6.205	50	40	IKGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)c1C	9159434	NRKPGXURTDACCX-XMHGGMMESA-N	447.498	5.353	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(C(F)(F)F)c1	33598028	UBOUKAXIQJHQBT-VROXFSQNSA-N	437.761	5.291	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(C)c1	59535025	XOKMTUICGWUSGJ-KGENOOAVSA-N	430.479	5.658	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccccc1Cl	107766971	BUHOBDWLUHNJKI-RGEXLXHISA-N	441.918	5.903	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1	252478496	ANWBFKJRYFPFFT-GHRIWEEISA-N	435.321	6.126	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Sc1nc2ccccc2[nH]1	408598512	BWQWEEUODVNBHO-DEDYPNTBSA-N	428.473	5.707	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(F)cc2)cc1-c1ccc2ccccc2c1	408725509	QGPGCGFTRHEVCR-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C	408735257	OZZNCCRRCVQNNZ-PXLXIMEGSA-N	439.946	6.755	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1	408768195	CSNHJPOEZOMJRZ-PLRJNAJWSA-N	431.539	6.561	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccc(O)cc1	408789493	JPIWVQNZGWCTFQ-XQNSMLJCSA-N	443.506	6.094	50	40	IKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408801323	VFYFRGFXRXHDMN-IREQLNLFSA-N	433.335	5.403	50	40	IKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408802902	JAVOHDMDAQPHTE-CJLVFECKSA-N	434.495	5.979	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc2ccccc2o1	408807131	CDGHZTCLLHWGRZ-RMORIDSASA-N	444.230	5.672	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1	408850110	GDZMWSXHSACZQS-LGJNPRDNSA-N	427.331	5.953	50	40	IKGB	
CCn1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21	408853262	QMCYFXXWHVWCHH-FSGOGVSDSA-N	446.554	6.191	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc2c3c(cccc13)CC2	408857541	KNDRGOYJQKJFHS-MUFRIFMGSA-N	434.564	5.892	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2	409000274	YFQVQGFFXUPBTK-ZMFRSBBQSA-N	436.968	5.323	50	40	IKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1	409193355	JMYRRRMXHZVZJZ-LDADJPATSA-N	448.906	5.389	50	40	IKGB	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NN(Cc1ccccc1)c1ccccc1	40024519	IDJOTVRPOUDOQM-UHFFFAOYSA-N	431.517	5.253	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	58916780	IEBHHRFMXRICEC-DHRITJCHSA-N	441.984	5.140	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408793798	GRVJMMSQIJHCFQ-MDWZMJQESA-N	442.258	6.016	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cc(C)cc(C)c2)cc1	408890128	OGJZBXGXAYZQPE-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1	408940263	URYQSAPMSWDNOO-BKUYFWCQSA-N	444.462	5.127	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	408984388	QJFPQPPUSOWWQG-YVLHZVERSA-N	442.321	6.394	50	40	IKGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC	409034737	QXFBPHZEFCMBRS-CEUNXORHSA-N	449.510	5.076	50	40	IKGB	
CCn1c2ccccc2c2cc(/N=C/c3ccc(N(CCCl)CCCl)cc3)ccc21	1698095	JKMUMWJMHZAQAO-MTDXEUNCSA-N	438.402	6.849	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cc2c(ccc3ccccc32)o1	2162485	LCXABEQCBLRHOS-AUEPDCJTSA-N	443.684	5.471	50	40	IKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)s2)sc2c1CCCC2	8767955	LDMYQZAPDUTWIN-NTCAYCPXSA-N	428.579	5.499	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc([N+](=O)[O-])cc1	9721045	JPJCMMSIOMSMOP-WOJGMQOQSA-N	448.309	6.969	50	40	IKGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	9948667	DQFSOGNDJFVALG-LQKURTRISA-N	438.612	5.814	50	40	IKGB	
N#C/C(=C\c1cccc(O)c1)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1	16735063	XJCAZSFLGPDJGJ-SFQUDFHCSA-N	429.526	5.894	50	40	IKGB	
N#C/C(=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NCc1cccs1	18190214	DDNISKDRKCLHQL-NBVRZTHBSA-N	445.519	5.144	50	40	IKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1	19630624	MPMONWOBHMMMKW-MRUKODCESA-N	439.846	5.210	50	40	IKGB	
N#CC1=C(N)S[C@@H](c2ccc(Cl)cc2)[C@@](C#N)(C(N)=S)[C@H]1c1ccc(Cl)cc1	35183036	YCSVQCWWFNNSLM-ZWOKBUDYSA-N	445.400	5.055	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2F)c2ccccc12	59224482	WPHLAOLDEBDZGF-XDHOZWIPSA-N	443.909	6.336	50	40	IKGB	
N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl	59336202	YTFNSCAZPJJIBA-WDZFZDKYSA-N	441.101	5.748	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc21	223487257	WGOWWNMTWJXUQD-JAIQZWGSSA-N	433.983	6.604	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1	408581147	GRUWIXZMDZAMIP-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCc1ccccc1	408752093	BRIWNQDVTJSWFC-PCLIKHOPSA-N	448.522	6.363	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1ccccc1F	408880029	IHSJJLPHGAIIJR-RGVLZGJSSA-N	448.925	6.241	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1cc2cc(Cl)ccc2o1	409022082	IVMOIUFMWAVTCC-KSEXSDGBSA-N	431.300	6.248	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409029771	BFQGGMFRNDJTAO-RDRPBHBLSA-N	431.495	5.828	50	40	IKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	409067906	RIRGBUJTPFHPSY-OYKKKHCWSA-N	442.993	5.742	50	40	IKGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409073273	LTBRZZWWEWDGEX-LDADJPATSA-N	440.421	5.000	50	40	IKGB	
N#C[C@@H](C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1	409204718	JPDHYUVALJTZGO-FTBWOGGGSA-N	442.522	5.600	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2cccc(Br)c2)cs1	1250184	BUDGHLDPIRDQJG-UKTHLTGXSA-N	426.295	5.278	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1	8448540	SRJMWZYCZZCPOM-JOCHJYFZSA-N	434.923	5.370	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1nc2ccccc2[nH]1	9187140	YNDLUYQGROZZCF-GZTJUZNOSA-N	448.295	6.108	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)Nc1ccccc1S2	12563271	QXULPYIEBYOYCB-OGLMXYFKSA-N	445.588	6.112	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCc1ccc(Cl)cc1)=C(C#N)[C@H]2c1cccs1	16577817	HSVVIBKSBHXVBE-FQEVSTJZSA-N	441.021	6.400	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1	33644099	LDQKDCNOBGFGMF-OYKKKHCWSA-N	440.499	6.284	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(Cl)cc1Cl	59334849	VTVVADIRMGURSX-ZDLGFXPLSA-N	445.346	5.305	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1	59535879	NAIOKMBAAZGYPE-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
BrCc1ccc2nc(-c3ccc(I)cc3)sc2c1	73740256	ZYUXIJINYAYVPT-UHFFFAOYSA-N	430.108	5.463	50	40	IKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(C)=O)c1C	101088295	YWWBUEMMOPLTQI-UKTHLTGXSA-N	443.575	5.597	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCC	107788736	FFDVWJXCGTVVOQ-DHDCSXOGSA-N	426.314	5.495	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1Cl	408743194	RKLJXDSGMJDYFM-PDGQHHTCSA-N	433.895	5.080	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408924870	PCQMBKSPQXEBHM-WOJGMQOQSA-N	434.883	5.510	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2cccc3cccnc23)o1	408993668	WRAUNNAHIHXFIT-GHRIWEEISA-N	445.931	6.487	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1	6188719	MHTPBAVYGMQKPA-GFMRDNFCSA-N	429.523	7.011	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1Br	9971469	LCKRWXGKMWJZDM-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccc(C)cc2C)cc1	20195321	LUYVGVJWEPJABJ-UXHLAJHPSA-N	436.555	6.037	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC	34704906	JFSUZAPPVRGXEN-QQUGTJAQSA-N	429.731	5.597	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	59202026	HCTBIBOJUWBXNT-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(SC#N)cc1Br	100958933	CEBRNMPRSBKSRY-YBEGLDIGSA-N	441.354	5.358	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1Cl	101746730	HRJBHXUCHDIEHU-WGARJPEWSA-N	434.879	5.438	50	40	IKGB	
COc1ccc(NP(=O)(Nc2ccc(OC)cc2)N(CCCl)CCCl)cc1	104066582	MHYDZRATQDNSPE-UHFFFAOYSA-N	432.288	5.116	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccccc1	408549556	USRBYQWRQKXOAZ-MIXAMLLLSA-N	445.562	7.610	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Br)c1	408756490	SHZFHWIHEJGFGI-GXDHUFHOSA-N	438.237	5.163	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408759342	CKRPSBSJRKNCAX-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)cc2)c1	408774512	PBQWXVLLHJBAGY-BKUYFWCQSA-N	430.479	5.738	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408778808	LMCIPDAHBQRDBS-PGMHBOJBSA-N	438.914	6.618	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccccc2)cc1	409191802	NPQDVEQUQQPJLE-ULJHMMPZSA-N	439.559	5.639	50	40	IKGB	
Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1	409208990	DXXWIQPTVPHMCD-JFLMPSFJSA-N	447.991	5.894	50	40	IKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1ccc(F)cc1	409257577	TYVMMDMTUDRUSQ-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1	409320205	AJAPDQCFSIJNHX-HZHRSRAPSA-N	439.942	7.535	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1	409367776	GEZHHEOYGCLSIM-WOJGMQOQSA-N	445.346	5.500	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cccc2ccccc12	985553	GMLDQPICXPMNIT-LJQANCHMSA-N	433.298	5.755	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccc(Br)cc2)cs1	1301174	VFGHERBUCWWVKF-UKTHLTGXSA-N	426.295	5.278	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1	9243798	LSLNKZSYOKYCTC-GOSISDBHSA-N	441.318	5.390	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1C	9635861	WZOFLBMNYJWDPN-STZFKDTASA-N	439.946	6.506	50	40	IKGB	
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C	195759671	UMDKFDJQYNOPRV-KHPPLWFESA-N	430.617	6.275	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2F)c2ccccc12	207149221	FYAJHPBRNDDCST-UYRXBGFRSA-N	443.909	6.336	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1Cl	408580072	MVTWFKPMCICXGK-XSFVSMFZSA-N	430.334	7.790	50	40	IKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2cc(Cl)ccc2nc1Cl	408728402	LIVVWUSFLIEPEH-MOSLJXCSSA-N	438.767	5.826	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1	408733833	AWKCNZGNDMDBQD-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21	409221858	BBVWYROAOMOQOO-FDAWAROLSA-N	442.522	5.407	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1	409385646	ITDHKHQNVOTRDH-VCHYOVAHSA-N	426.303	5.633	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(Br)c(Cl)c1	409393846	SRAFRKNZGLPLIJ-MFOYZWKCSA-N	429.720	6.713	50	40	IKGB	
N#C/C(=C\Nc1ccccc1F)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	1240018	POVXCVJEHUUFFQ-DTQAZKPQSA-N	439.471	6.185	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	2748892	GPNJNPVTAUNNTR-CCVNUDIWSA-N	435.405	5.101	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1	3205360	FFHRNIQDUDIXCU-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)ccc1Br	8916735	HVBZQURRYGVYRB-CPNJWEJPSA-N	440.385	5.521	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	15134264	NPRQIRKVDPPONX-ZRGSRPPYSA-N	445.346	6.214	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OC	58602231	XJTDXLYEVQHMSZ-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Br)cc1	59305064	QYEPNBGDPMZJOD-ZMOGYAJESA-N	436.309	5.367	50	40	IKGB	
CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1	225741906	QMXISTLSMGGKTC-UHFFFAOYSA-N	428.411	5.656	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	408803963	BGUODOBRSIIOKH-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408826528	JPQFPNREUHPISV-LTGZKZEYSA-N	444.918	6.029	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Cl)cc1	408865630	BQIRFAGCBDUJPQ-HYARGMPZSA-N	430.935	6.047	50	40	IKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccs2)c(Br)c1	408893107	FOVPSDLMZOGHGF-JXMROGBWSA-N	426.133	5.127	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408894949	LENQJWPDCFRQCS-XSFVSMFZSA-N	430.891	5.722	50	40	IKGB	
CC[C@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408946770	PVAYHUQODSGINS-JFVYAULHSA-N	445.313	5.145	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1ccc(F)cc1	408997283	MMGYWIXVSPKIKT-RAXLEYEMSA-N	443.297	5.878	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1F	409188401	HFJLHSWEHJSBND-YVLHZVERSA-N	428.891	5.032	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1	409267270	UIOMGYLQLKVWNB-HYARGMPZSA-N	439.515	5.175	50	40	IKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1c(C)cc(C)cc1C	788992	QBQHTOJAXJIAOB-VWLOTQADSA-N	444.531	5.014	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC	1749340	OPSJWFRRGOQLTO-SDNWHVSQSA-N	442.338	5.566	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	1773171	KCWRCEZEMAIRPY-ATVHPVEESA-N	437.282	5.758	50	40	IKGB	
Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1	2286886	VIQLROIGNPHCHS-VFNWGFHPSA-N	425.315	5.510	50	40	IKGB	
CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1	2310193	SKFOMOYOKXWBJX-LJQANCHMSA-N	439.968	5.174	50	40	IKGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc1	3213531	FLBDLIRWQNSLBW-VFCFBJKWSA-N	428.580	5.323	50	40	IKGB	
CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)cc1	5840770	XIANQIFMJFOKRI-KNTRCKAVSA-N	427.548	5.203	50	40	IKGB	
COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(C)sc3C)c21	6300271	ZLLXGXCSFMSRNI-FQEVSTJZSA-N	428.517	5.135	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1	8812414	YMNTWODLKBHQKN-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	9375625	AWSWZMAQWQVCAW-HEHNFIMWSA-N	446.576	5.285	50	40	IKGB	
N#C/C(=C\c1cccn1-c1cccc(Br)c1)c1ccc(Br)cc1	9805666	FSYDDDQVZWXPEF-RVDMUPIBSA-N	428.127	6.066	50	40	IKGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)Cc1cccc2ccccc12	14923368	HRCXTMPNJOJETJ-VULFUBBASA-N	428.319	5.210	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1	20132844	BIEHKBXAVPFCIN-SNVBAGLBSA-N	434.197	5.568	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1	30738571	FEUKIMKQADTXCQ-DZAWMCJLSA-N	446.572	5.519	50	40	IKGB	
Cc1cc(/C=C(\C#N)C2Nc3ccccc3N2)c(C)n1-c1sc2c(c1C#N)CCCC2	32189226	IOQNJQYJKJOWJI-LDADJPATSA-N	425.561	5.677	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	59336254	WTORQKPLVGSUJM-JYRVWZFOSA-N	437.710	5.766	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	100045003	PNDQBMZPTSYOTJ-NCELDCMTSA-N	425.529	5.878	50	40	IKGB	
O=C(NNc1ccccc1)NN(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1	104837672	LYRSZDQVCMYCSE-UHFFFAOYSA-N	437.503	5.693	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3cc1O)[C@H](C)CC(C)(C)N2C(C)C	223593190	HBDYLLCHJSRGFN-MQRLXVCBSA-N	443.591	6.118	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1-n1cccc1)[C@@H](C)CC(C)(C)N2C(C)C	223593263	SFTVBTROJQJXBH-DFVFNMDZSA-N	442.607	6.050	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)c1ccc(Br)cc1)[C@@H](C)CC(C)(C)N2C(C)C	223599721	AAQXWGBYXDTXPF-UMUMUWHJSA-N	437.425	7.322	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Cl)cc3)c2)cc1Cl	408579376	GLSWPDMEWGPSLG-YBFXNURJSA-N	437.326	6.384	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3F)cc2-c2ccc3ccccc3c2)c1	408727329	VYEYCKFJSZFUMW-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Br)c2)c1C	408744122	JFAJRDAYQCREOX-UNOMPAQXSA-N	434.337	5.711	50	40	IKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1	408755560	OMFNCQWOKKBOMD-BOPFTXTBSA-N	435.277	5.457	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1	408764587	UWUKLSQHXDVDJS-LCYFTJDESA-N	442.258	6.016	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(C)c1	408792409	BHJJKCXOEPOUEQ-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(O)c1	408793172	DJCMNGHCQCSDCW-CJLVFECKSA-N	441.531	5.363	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408795507	LWYLKCJHSOPNIC-NTUHNPAUSA-N	435.694	5.213	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408991145	MZEYIYACBJPNRH-XNTDXEJSSA-N	436.880	5.340	50	40	IKGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1cc2cccc(C)c2nc1C	14922871	AQBURSDDYKOIAQ-UVHMKAGCSA-N	443.334	5.293	50	40	IKGB	
COC(=O)CCCCC1=NN(c2ccc([N+](=O)[O-])cc2)S2=C1C=C(C(C)(C)C)S2	17118468	GYCNBMJOVJXRMQ-UHFFFAOYSA-N	435.571	5.452	50	40	IKGB	
O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cc(-c2ccccc2)nc2ccccc12	33360451	TZIJZAKDRGBONF-COEJQBHMSA-N	443.506	6.458	50	40	IKGB	
C/C(=N/NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(OC(F)F)cc1	96399294	QNSBCMJFFGNBGI-DICXZTSXSA-N	428.410	5.160	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	408529371	JHVNFBHBKAVBRE-WKULSOCRSA-N	444.966	5.522	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408539004	DHWAZYWPZDSJNJ-XSFVSMFZSA-N	440.971	6.552	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OC(C)C	408580754	RPHIOHGWURKSMD-RQZCQDPDSA-N	446.341	5.716	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408745329	LSAKXHPUUFVPSE-JWGURIENSA-N	441.575	6.336	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408881192	MEZLXDBUSHDUFG-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)NC1CCCC1	409192789	BCUSWDCCUSUIPS-SXGWCWSVSA-N	449.765	6.192	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C#N)cc1	409250599	RGBATUVHDMVCSV-ODLFYWEKSA-N	434.421	5.530	50	40	IKGB	
O=C(c1ccccc1)[C@@H](Br)CCC[C@@H](Br)C(=O)c1ccccc1	1641190	GOIXPFUGOIGQHG-CALCHBBNSA-N	438.159	5.450	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	3146104	QHMHXNSVQBVDKQ-UGFFDMHVSA-N	446.550	5.722	50	40	IKGB	
CC(C)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	8969587	KYXKYYNPWKFAPA-QFIPXVFZSA-N	447.604	5.644	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc4ccccc34)CC(=O)N2)c1C	9010420	GBCONGBFHFEEAN-NRFANRHFSA-N	441.556	5.167	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1nc2ccccc2s1	12360448	HSBZSUDPHZYKFE-KAMYIIQDSA-N	439.418	6.121	50	40	IKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1	13756949	INIXDMYNPXJDHS-PYRNPVBESA-N	444.538	5.806	50	40	IKGB	
CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)cc1	13942234	FIPNLQBPPFDUKS-OJQDQQHHSA-N	445.563	6.204	50	40	IKGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1	20132423	VWMGGQVEFQCUHQ-AWEZNQCLSA-N	439.762	5.641	50	40	IKGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	26687226	IEVGNWVRQVGESM-FXBPSFAMSA-N	445.526	6.269	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)cc1	32184228	FGNYFGNZYKYWJS-CEUNXORHSA-N	436.511	5.462	50	40	IKGB	
O=C(N/N=C\c1cccc(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	33360345	YORCXLQIXSQHER-MYYYXRDXSA-N	430.305	5.428	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	33555760	JHPCRPRUACJMMU-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cc2cc(Br)ccc2o1	83252620	QLVJYCDCDJHIHJ-WGARJPEWSA-N	443.300	6.266	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C	223574006	IFFQEVGNEXNVST-HSOLMKNUSA-N	427.976	5.290	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	408591983	WWNBXCYMVAPPPS-DHRITJCHSA-N	430.335	5.102	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Br)cc1	408598665	HUMWNKKSGUBQFN-XDHOZWIPSA-N	449.377	6.390	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCC#N	408793501	FCKXQQFADJQYON-OVCLIPMQSA-N	430.291	5.149	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1	408796316	NQDFHEKTPJWLFJ-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccccc1	408798510	FSUYCWHQTRIPBT-FBTHGLLTSA-N	430.511	5.346	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	408981745	BFGLVHCHSJSHNA-LCYFTJDESA-N	442.258	6.016	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1cc2cc(Cl)ccc2o1	409022130	FQWLCWKGUPYZCH-VYYCAZPPSA-N	427.891	5.853	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)c(Cl)c1	409060230	YPCNJGNPZNEVTF-UVHMKAGCSA-N	438.314	5.516	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCO2	409360935	GCJLOPQKVGLCQE-GRSHGNNSSA-N	434.289	5.821	50	40	IKGB	
CCc1ccc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)s1	720260	TXOOJERIRCUBLR-FQEVSTJZSA-N	439.531	5.530	50	40	IKGB	
CCOC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1OCc1ccc(Cl)cc1Cl	9763567	MKUPMAWBJXNRNI-WQRHYEAKSA-N	447.362	5.889	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1	11689787	UQKCTYIBJXRVJD-XDJHFCHBSA-N	434.524	6.222	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc2c(c1)CCCC2	15134866	ZNGJLMGSWJEHHM-ZTKZIYFRSA-N	434.624	6.198	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccc2ccccc12	16157506	UJMJFCMDZQSHTB-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(F)cc1	16249794	XFWIZCMJYQWPOW-UGAAVYLDSA-N	429.539	5.739	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c(C)c1	20194792	IJIREUGESDHVDU-AFUMVMLFSA-N	438.369	5.166	50	40	IKGB	
COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	100031420	ILRGHSDEFNGNFX-UHFFFAOYSA-N	428.448	5.098	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1C	408770860	AMIGVHBIDALMPP-KQWNVCNZSA-N	425.576	6.554	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408819072	YBPSRCFLKWSTEF-XNTDXEJSSA-N	437.839	5.371	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1CC=C	408820158	VQYWOUUHCMQAMP-ATVHPVEESA-N	441.300	5.427	50	40	IKGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408821080	CDBQJZDFILEICG-HMMYKYKNSA-N	432.907	5.863	50	40	IKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408822069	AHKBFSFBWIXVFW-LTGZKZEYSA-N	444.918	6.029	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C)c1OCc1ccc(F)cc1	408847813	SGTRIGPAWZGQPB-OCSSWDANSA-N	440.518	5.868	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1cccc(C(F)(F)F)c1	408962699	JJCRURXSVCIHQZ-VFLNYLIXSA-N	439.412	5.611	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OC	409318371	VAZYVFNIKJYTSE-YBEGLDIGSA-N	441.268	5.526	50	40	IKGB	
O=C(NC(=O)C(Cl)Cl)O[C@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21	1722516	JVMDQLVWRZJFOY-ZDUSSCGKSA-N	439.509	5.773	50	40	IKGB	
COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2ccc(C)cc2)c2c(ccc3ccccc23)O1	13940547	FVOJVGWAJGDXFW-AREMUKBSSA-N	446.506	5.846	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	28216497	IBOGLAZYKIDOSW-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc(C(F)(F)F)c2)sc2c1CCCC2	33333881	YMMFIJZBCVCKSV-UVTDQMKNSA-N	448.466	5.368	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12	33784514	OCKUHUURMPWMKB-OCSSWDANSA-N	447.538	5.924	50	40	IKGB	
C[C@@H]([C@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C	60291150	MNHSTABJXYKDQW-FTBPSBKWSA-N	426.565	7.755	50	40	IKGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1	96751833	ZVOHSSJFYLDZIC-FLIBITNWSA-N	435.267	6.141	50	40	IKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc1	104140382	PVOISOLHJRYIRD-XMMPIXPASA-N	449.019	7.666	50	40	IKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl	408578941	BYULFBRHJYOHHK-FOWTUZBSSA-N	430.312	5.825	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1F	408741141	GXLFMIGSQZNACH-WQRHYEAKSA-N	436.870	5.612	50	40	IKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1	408761080	HLNQLUYUKULMRD-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408805199	JMGYTEOMFIFXHS-FOWTUZBSSA-N	425.315	6.481	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1C	408807252	GPIURXFQRAYOID-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
O=C(N/N=C1\CCc2ccccc21)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	12549608	XRIGALMDBIUDEE-RMLRFSFXSA-N	431.495	5.081	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc1	102500959	IIYFQUVITLHCJL-QFIPXVFZSA-N	436.964	6.551	50	40	IKGB	
O=C1OC(=O)[C@@H]2C(c3ccccc3)=C3C(=C(c4ccccc4)[C@@H]12)c1cccc2cccc3c12	104155585	PWWQKKUDVUKTRA-VSGBNLITSA-N	426.471	6.004	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccccc1F	108932478	NIDZCFRPVKNRSX-MTJSOVHGSA-N	448.324	7.929	50	40	IKGB	
C[Si](C)(C)O[Si](CCc1ccc(CCl)cc1)(O[Si](C)(C)C)O[Si](C)(C)C	255188913	MNTJRRZVVBCLGY-UHFFFAOYSA-N	449.288	6.461	50	40	IKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1	408691857	UPSXZSXXCOCTLZ-NDENLUEZSA-N	429.907	5.884	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)nn2-c2ccccc2)cc1	408724493	LFLNMTKJANPRCL-RDRPBHBLSA-N	446.510	5.470	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc([N+](=O)[O-])c1	408880443	JYLROVWBSCDNLE-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408882304	OMHQIDGKXXKRDB-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
N#CCn1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409034860	IKCCHBKERJHBRD-STBIYBPSSA-N	429.483	5.144	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C(\c3ccccc3)c3ccccn3)c3ccccc3n2)cc1	2754840	ROYVHRAPNBXZQH-VEWQFJOQSA-N	442.522	5.788	50	40	IKGB	
O=C(N/N=C/c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1)c1ccncc1	8408097	PCNMMTAXDZFLOG-ZTKZIYFRSA-N	443.547	5.351	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)o3)oc12	9323656	JRPGVWQEVPXERN-FSJBWODESA-N	426.881	5.603	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1	16292973	KLCRJBRMAJMRJF-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1F	35131358	IZEOGPPCPPEZQY-WQRHYEAKSA-N	425.862	6.660	50	40	IKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1	38682023	DSWRKIMLBAMPOI-QHCPKHFHSA-N	428.513	5.154	50	40	IKGB	
Cc1ccc(C)c(NP(=O)(Nc2cc(C)ccc2C)N(CCCl)CCCl)c1	104074190	ONLCNUVSQIKLQR-UHFFFAOYSA-N	428.344	6.332	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1	223170795	GXDWGLPSLRPMBS-YVLHZVERSA-N	440.330	5.955	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)cc1	252496306	PGFVNPMXEMGONV-LTGZKZEYSA-N	428.488	5.758	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)Cn1cnc2ccccc21	408691495	ARHQFAIVKJDWFH-WQRHYEAKSA-N	434.326	6.529	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)Cn1cnc2ccccc21	408691899	WYCBDKDJWMFREL-NDENLUEZSA-N	444.332	5.985	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)ccc1I	408771629	IHXONULEBDWFCP-DEDYPNTBSA-N	438.312	6.071	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1	408881246	KIPFFOHKIQNFPK-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1cccc2ccccc12	408889371	FQGPYZIZOSHHRL-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	408897127	VYDFCWRCHDGAMU-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccccc3F)cc2Br)cc1	408915112	UWPWRGIUYUHBBV-SSDVNMTOSA-N	433.302	5.405	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1	409066829	MLGMGNZUHNKYCM-XDHOZWIPSA-N	426.428	5.178	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	409147815	WIEXMRQPDSOIKR-QFIPXVFZSA-N	439.298	5.496	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	409200019	FKIYGXPMBXZCIV-SSDVNMTOSA-N	437.373	5.980	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	409247198	GTQNNYRDWWSSQE-DEFALTHMSA-N	438.358	6.185	50	40	IKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	409267258	UHKDBCVRJMSOGH-QGOAFFKASA-N	433.851	5.330	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)c(Br)c1O	409393955	UBONEDMEZCWKPW-WZUFQYTHSA-N	427.067	5.129	50	40	IKGB	
COc1ccc(N(C(=O)CCCl)[C@@H](C#N)c2ccccc2OCc2ccccc2)cc1	2191114	VSRYCHFRKHDXHG-QHCPKHFHSA-N	434.923	5.501	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccn2c1C(=O)c1ccc(F)cc1	3307797	HHUHGAZUOUVPAC-NBVRZTHBSA-N	441.437	5.303	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3cccs3)C/C2=C\c2ccccc2)[C@@H]1c1cccs1	20459303	FVMQSNBQSVWXJG-FUAYJARZSA-N	443.597	5.471	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	38200117	KKLQWFIQTXZXOO-SFQUDFHCSA-N	432.442	5.829	50	40	IKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2[C@H](C)CC1(C)C	208330305	ODSSVYPWHTUBNQ-SYERDGIWSA-N	435.999	6.615	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)cc1	408589260	ZPARMMNNRFTKOX-NDENLUEZSA-N	439.342	6.642	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Cl)cc1Cl	408809751	IPTOIVNUPYMRJP-ROTLSHHCSA-N	426.303	5.911	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OC)c1	408831192	QFGGGCHYMKMJRJ-KGENOOAVSA-N	428.488	5.137	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2ccccc2o1	408850046	DNVRPPZWCGLCFU-KSEXSDGBSA-N	443.684	5.873	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1O	408983115	KQKJUZAJGNGAHQ-DHDCSXOGSA-N	431.717	5.391	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)CSc3nc4ccccc4s3)cc2)cc1	409250112	PQJLVRHODKSSKF-OYKKKHCWSA-N	449.626	5.998	50	40	IKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	954207	UUTJEYBIGYRWOY-XDHOZWIPSA-N	429.932	6.086	50	40	IKGB	
C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)C(c1ccccc1)c1ccccc1	4199165	HGAVRPUOIIMPLY-ZTKZIYFRSA-N	427.548	5.463	50	40	IKGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1cc(Cl)ccc1O	13898277	MIINXTPSXXGXMU-VJWFXWEISA-N	429.263	5.584	50	40	IKGB	
CCN1C(c2ccc(Br)cc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2	15906633	MDPIMJVFHBMRKF-CAPFRKAQSA-N	442.386	5.026	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1	20198089	MYODNNKVKOROHD-LQKURTRISA-N	445.950	5.896	50	40	IKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1c(Cl)cccc1Cl	20247993	KAINIQVQWHGAJD-DNTJNYDQSA-N	432.170	5.139	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc(OC)c1OC	39383875	LUQQKCKNEUJBHC-APSNUPSMSA-N	437.477	5.117	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1)c1cc2cc(Br)ccc2o1	83252619	ZGCITMOINQHRIP-QFEZKATASA-N	449.304	5.538	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc2ccccc2c1	108137288	BGTHYJYBCYQADX-XKZIYDEJSA-N	443.905	7.284	50	40	IKGB	
Cc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1Br	408567978	RDSIWYJCDDSUQI-JJFYIABZSA-N	446.142	5.437	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2)c1	408580916	SLMOHWAHQQVHOD-XDHOZWIPSA-N	437.326	6.384	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC	408583893	YINDVPWIVFUHBB-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1	408740916	DZWBWSWKQZVLHE-HYARGMPZSA-N	427.504	5.043	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	408786929	XYJKPPDFUVXILB-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OC)c2)cc1	408801594	WFMXYCDZASHYHT-HYARGMPZSA-N	442.515	5.445	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1cc(C)cc(C)c1	408867199	KBZXKIDTRQEBIJ-YDZHTSKRSA-N	444.962	6.410	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	408883910	VZSYTZKINYTUBA-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408890028	MTFWFPFYMJDKLH-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
CCCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409325321	XUIDSYJTOWCCLL-IMRQLAEWSA-N	432.520	5.217	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409361122	GRYAVPLXXWUTPF-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409390781	GWTRHSIMLNZRDY-UNOMPAQXSA-N	435.329	7.508	50	40	IKGB	
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1F	936791	XQVYXBOWCPXPPT-KGENOOAVSA-N	437.492	5.142	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(\C#N)c3ccc(Cl)cc3)c3ccccc32)cc1	1113722	MQJSCTQKQGURKS-XSFVSMFZSA-N	425.919	6.306	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OC(C)C	2162402	XFGIMJSSGARFDK-LGJNPRDNSA-N	436.895	5.799	50	40	IKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2CCCCCCCCCCC2)cc1	32101711	IEQQSUUIYXMJQY-UHFFFAOYSA-N	448.651	7.168	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(F)c1	59201923	SHFKRUQPGKANGX-LPYMAVHISA-N	444.506	5.966	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccccc1	59224753	VXUHECIMTQYMPP-UDWIEESQSA-N	437.326	5.796	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1	59535889	SPLSMSLTEXCAAR-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1	95471498	HBUWKUNXAQOJAD-DHDCSXOGSA-N	447.745	5.394	50	40	IKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@@H]2C1	100682398	DXRNFIVTELFJLN-XFQXTVEOSA-N	435.369	5.315	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	103012241	UZMRWZKDZIWYEQ-KOEQRZSOSA-N	433.017	6.322	50	40	IKGB	
CCCCCCC[C@@H]1CCC/C1=N/NC(=O)c1ccc(N(CCCl)CCCl)cc1	104048522	KSBXSPHUDZRVJZ-JEOADQEBSA-N	440.459	6.217	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3ccccc3OCc3cccc4ccccc34)[nH]c2cc1C	408543363	OIIYQCHGDJAQKU-JLPGSUDCSA-N	429.523	6.976	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)c(C)c1	408789349	PCJUPXXNGNPBSY-YZSQISJMSA-N	432.523	6.581	50	40	IKGB	
C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(NC(=O)c2ccccc2)cc1	408841554	LGVNOYKNZQHINK-ZXVVBBHZSA-N	431.561	5.021	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F	409213530	URACYMOCKUOOSP-YVLHZVERSA-N	440.272	5.968	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	409247200	GTQNNYRDWWSSQE-SDLDRHLBSA-N	438.358	6.185	50	40	IKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(F)cc1	409253697	YBBIQYWMOBANCO-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	685582	DPCXHPUXQRBVPD-MFKUBSTISA-N	426.432	5.008	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12	1106442	ADOUFQJQDOSFNF-XDHOZWIPSA-N	435.321	5.176	50	40	IKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc1	2354636	YUSSLFCKMMLGGW-DEOSSOPVSA-N	449.019	6.826	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(SC(F)F)cc1	2647153	HJNFDWYFFJBALX-CPNJWEJPSA-N	436.483	6.126	50	40	IKGB	
O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1c2ccccc2cc2ccccc12	2754003	RWUOFUOHHATFPM-JVWAILMASA-N	429.907	5.515	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C#N)cc1	12651426	FTVRWBSHSOGWON-NJZRLIGZSA-N	445.522	5.958	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cccc1[N+](=O)[O-]	16268473	MOCSKPZROPYVDR-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c1	16687922	DONPDNIYBDUZMM-QRQIAZFYSA-N	439.515	5.188	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	20197467	TTXDYDNOGXNHBX-YDZHTSKRSA-N	427.844	5.061	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)c1	28215970	CRLAKYIBINWSQP-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	34689487	NVFBRWVDNMWCRC-LGMDPLHJSA-N	447.422	5.471	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1	59117100	MNFKLAQSOMWEOF-XDHOZWIPSA-N	446.890	5.422	50	40	IKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21	208448092	CSMGCZICZXHMJA-SXGWCWSVSA-N	426.347	6.171	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223172621	SKHRIWBIGDCQIP-HAHDFKILSA-N	441.531	5.433	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc2ccccc12	408758667	OVCGVAIYSFWDHD-FOWTUZBSSA-N	443.846	6.207	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1	408759598	HSVBYSRWANDSLX-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc(F)c1	408803975	BJESBBRJNDBPJW-ZFJBLLOBSA-N	430.479	5.198	50	40	IKGB	
N#CC1=C(Oc2ccccc2)NC(c2ccc(Br)cc2)=C[C@@H]1c1ccccc1	2271748	MUPOEZSCKCIZMY-OAQYLSRUSA-N	429.317	5.991	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc(Br)cc3)c2C)cc1	9933384	VYPPEEAMPVNZHQ-KGENOOAVSA-N	449.348	6.098	50	40	IKGB	
CCc1cc(C)cc(OCCOc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)c1	16157705	SPBSWMOMICRQTD-XQNSMLJCSA-N	426.516	5.561	50	40	IKGB	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1cccc2ccccc12	32579235	GLRGNRNKCMRDRO-SFHVURJKSA-N	441.556	5.292	50	40	IKGB	
Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1cc(-c3cccs3)nc3ccccc13)CCC2	34759286	XNYLJXASEGDZMH-NFFVHWSESA-N	425.557	6.051	50	40	IKGB	
N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	96751824	CATHSBTYULSHLR-CSKARUKUSA-N	435.267	6.141	50	40	IKGB	
O=C(N/N=C\c1ccc(O)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	105826970	GUFATFXJDDNQSA-QFEZKATASA-N	446.304	5.134	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(F)c1	137046981	WQGSKCXREDIRFJ-HZHRSRAPSA-N	444.506	5.069	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	223521332	QSMFYGNTTZFMOO-IPPBACCNSA-N	443.513	6.188	50	40	IKGB	
Cc1c(Br)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1Br	408599611	XKEZICSGXNRRBL-WUXMJOGZSA-N	449.171	6.053	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(N2CCCC2)cc1	408676674	MDLCJSNHWPXFRI-WPWMEQJKSA-N	433.939	5.283	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	408760271	VSSKQVVTHARYTQ-UKWGHVSLSA-N	425.923	5.756	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1	408785265	XTVWMSRBNMUEOU-PXNMLYILSA-N	433.733	5.113	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1C	408797375	RFGWHLBWTFAMSN-RGVLZGJSSA-N	434.898	6.221	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	408941594	XGRAMUSWKQCGQD-ODLFYWEKSA-N	447.878	5.681	50	40	IKGB	
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1	706187	OMKLXMSJHRRDTM-HXUWFJFHSA-N	427.401	5.149	50	40	IKGB	
CCOP(=S)(OCC)Oc1cc(COC)nc(-c2cc(Cl)cc(Cl)c2)n1	2561303	IPRORQZPBLZINF-UHFFFAOYSA-N	437.285	5.273	50	40	IKGB	
Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2CSCc2ccccc2)cc1	3413613	KJOIWHQYYCKZOM-UHFFFAOYSA-N	430.529	5.249	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCc1ccc(Cl)cc1	12590745	DSTPHARXGPBHLC-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
N#Cc1ccccc1Cn1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	15228284	VRZGMIGIBVBAHE-QDTIIGTASA-N	447.325	5.632	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(OC)c1OC	31906026	YKKKZLMFRNRHFJ-JAIQZWGSSA-N	434.561	6.099	50	40	IKGB	
O=P(CCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	78774275	WUHFTNFXBQUQGP-UHFFFAOYSA-N	444.451	5.405	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	97990459	NXIWGDVMGCVPET-UNOMPAQXSA-N	435.277	6.000	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)nc2c1	108990756	LGYVXBHZWZOWCT-AQTBWJFISA-N	426.451	5.092	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	223175614	AAAOIQWWTCAOMU-UNOMPAQXSA-N	433.895	5.080	50	40	IKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	226364761	VJFVYVOPSRSWGI-UHFFFAOYSA-N	433.685	5.599	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1	408581881	ZOPBAASZXRRWIA-VCHYOVAHSA-N	442.715	6.885	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	408599492	HWPWOFWODGPEDV-MUFRIFMGSA-N	427.523	5.890	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)Cn1cnc2ccccc21	408691924	YDDPSFQOLVKLCP-UYRXBGFRSA-N	444.332	5.985	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC	408726484	TUSRGYCSGZAILW-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408837690	LHYGIUOHPMZWKL-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)NCCc1c[nH]c2ccccc12	408952547	OGBGORDDMOTFCT-HMAPJEAMSA-N	439.490	5.152	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	409254185	VRXJLDLCNSJSHJ-GDNBJRDFSA-N	440.377	5.518	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	409343055	HKKPCDSQCYEPBO-XODNFHPESA-N	434.902	5.044	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)cc1	9059368	XFTASIDYUODVTB-QNGOZBTKSA-N	444.462	5.127	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c1	9311822	RBBSRNRCTIHGDM-UYRXBGFRSA-N	425.463	5.383	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	9327403	VJIJREPHWYAJDQ-LJQANCHMSA-N	449.297	5.862	50	40	IKGB	
CCCCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	9445015	ZYZQPYZMTNTFQF-DTQAZKPQSA-N	428.388	7.436	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(C)cc1	12585653	ZFOMHKASTIHAHD-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
CCc1c(C)sc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C#N	17097907	ZUOCOHABJBVUKZ-GDNBJRDFSA-N	432.461	5.204	50	40	IKGB	
CCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1	20132605	ZWRDUTFFGOBYMW-SSDOTTSWSA-N	426.561	5.214	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1	59272201	JUTWMSLBHMBNKA-DEDYPNTBSA-N	436.433	6.139	50	40	IKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@@H](Cl)c2ccccc2)cc1/C=C\c1ccccc1	68564675	YSMPRUOJLAHKGO-POJYLLKHSA-N	443.286	6.933	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(I)cc2)o1)c1nc2ccccc2[nH]1	96193587	MIEDKEJVXUCIOH-KAMYIIQDSA-N	437.240	5.492	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc(Br)cc4)cc3)nc2c1	108118659	HLLWCJMIFGTVBP-UYRXBGFRSA-N	444.332	6.277	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)c(C)c1	216049377	IZSYVYPVKOGOTR-MUFRIFMGSA-N	443.978	5.961	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)cc1	252508726	XRSPUPGKJKMBRM-SFQUDFHCSA-N	434.879	5.495	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2)c1	408765148	ZTHSFLWLRRJCPC-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408781955	DUZLMZMLHDKSAI-BRJLIKDPSA-N	440.334	5.121	50	40	IKGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1Cl	409010853	FQCGNDLUFGGYTK-JVWAILMASA-N	430.939	5.611	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1Cl	409014429	PPUXEJCJGDYXOP-MYSNOUKZSA-N	433.986	5.369	50	40	IKGB	
N#C/C(=C\c1cccc(Oc2nc(Cl)ncc2F)c1)C(=O)Nc1ccc(Cl)cc1	409064815	PZGCQBIJXLFGFP-MDWZMJQESA-N	429.238	5.260	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	2176203	QKKQZLWAGUHICK-BHGWPJFGSA-N	449.359	5.646	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)cc1	2726864	YXFAMGGIHZHVJB-DEDYPNTBSA-N	425.919	6.197	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	6177834	NAGRZYKDRSFHDA-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1	8692083	JIUOFWOOWFTSGM-YQIYFPAKSA-N	437.543	5.676	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OC(C)C	33349301	XFGIMJSSGARFDK-ZMFRSBBQSA-N	436.895	5.799	50	40	IKGB	
O=c1oc2cc(Cl)ccc2n1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	98048324	DPAUAIHLXOJBHO-UHFFFAOYSA-N	444.878	5.200	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Cl	105057310	CBOKJQODAHAYCU-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OCC	107833464	OXUVLBCYCNLTAI-JLPGSUDCSA-N	447.373	5.571	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)oc12	223545713	OTLRGXCIYNUFJD-VSWHYLHOSA-N	433.552	5.706	50	40	IKGB	
O=C(OCCCCCl)[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	227250830	PKKSIDRANDIEFY-MQOMDTIOSA-N	435.389	5.400	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	408567880	PZRAMEZIYMMBLZ-OGLMXYFKSA-N	434.967	5.909	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408569836	QLKFGSDFEHMHEF-ATVHPVEESA-N	435.462	5.360	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Sc1nc2ccccc2[nH]1	408598500	BQSAQIFTNFKUSU-DEDYPNTBSA-N	440.959	6.876	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Cl)c1	408740970	FWMOFJJUNQAPIX-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1C	408759567	HEPROZVCSALHCF-NDENLUEZSA-N	448.364	6.019	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1ccccc1F	408820589	XAOSPSAVXZSDNF-XFFZJAGNSA-N	446.221	5.846	50	40	IKGB	
C/C(=N\NC(=O)CSc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408825719	BOZIPMRWKFZBKJ-WGOQTCKBSA-N	437.952	5.225	50	40	IKGB	
CC/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(OC)c(OC)c1	408831002	UHPHSKLFOSXKNC-HPNDGRJYSA-N	446.572	5.437	50	40	IKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408871541	YUIGTNANDKVGQV-OPVMPGTRSA-N	447.709	5.627	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1	408922053	CXUFXKNDGAXSSP-MHWRWJLKSA-N	444.749	6.600	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409048102	RIZGVQSMRBIFHQ-NTUHNPAUSA-N	443.252	6.347	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1Cl	409052754	AEVULARSDSDWPD-NSKAYECMSA-N	441.236	6.345	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OC	409327237	ROJBAPSMMRBRHW-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C	28216454	MGMDFGCRWFXAAZ-VBYICHLGSA-N	425.985	5.687	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	28216725	DEPXSSXVYUDZKN-VBYICHLGSA-N	425.985	5.520	50	40	IKGB	
Cc1ccsc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	33649745	WEZLTHWSFSWJNC-QFEZKATASA-N	433.533	5.400	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c1	59432923	OLLVLWQCXHPMBK-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCC	408569249	MMUNCAOUNQTZEY-QPEQYQDCSA-N	430.277	5.326	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC	408725159	JPSBNFHYXDOJQS-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1	408758729	PYMWVAMAZQTBFX-JXAWBTAJSA-N	432.863	5.113	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1	408777239	XDQWGLZEMAKGTI-MFKUBSTISA-N	429.372	6.440	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1ccccc1F	408817865	MHJSOZIMHKXVSG-AQTBWJFISA-N	440.434	5.283	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408926604	XDKUHHMPIBNTJE-VCHYOVAHSA-N	434.883	5.510	50	40	IKGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	1767574	NMVGXYFVLDTKAR-UKTHLTGXSA-N	430.352	5.104	50	40	IKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	1906109	BJDILRXDDSKRSE-XMHGGMMESA-N	435.524	5.598	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)o2)cc1	2318207	QLMXVNJBBNTSGP-JFLMPSFJSA-N	448.519	5.084	50	40	IKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)nc2ccccc12	3242283	GYGJNZNVRLDFLE-LGJNPRDNSA-N	425.435	5.746	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1	3264398	AKQZKYYFOIBISE-QPSWJSTDSA-N	443.550	6.941	50	40	IKGB	
Cc1ccc(OCCOc2ccc(Br)cc2/C=C(/C#N)c2ccccc2)cc1	4196617	FROFCOBMTFTGNP-QNGOZBTKSA-N	434.333	6.280	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	9057323	TZJSGYBSANPLPG-GZTJUZNOSA-N	435.524	5.750	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	9057328	LGHDXJLVNUIGJH-JLHYYAGUSA-N	442.258	6.016	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1[N+](=O)[O-]	28217569	LQXDOSIHTFHLKD-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
N#C/C(=C\c1ccc(O)c(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	44827392	FIWDLMBXEFTECL-NTUHNPAUSA-N	428.267	5.251	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1	59137890	FQQONSLSXXJNQL-PTNGSMBKSA-N	439.334	6.047	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1	59445203	GJFRLHCTAAUEMR-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)c1	83317200	UETROZHUOUXXJX-STBIYBPSSA-N	438.575	5.882	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	108982805	PXPQFXXIYGQSAD-AQTBWJFISA-N	445.544	5.278	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(C)cc1	408552418	TXYPYLZHEXRIFV-RHANQZHGSA-N	445.562	7.529	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408589832	NBNKCQFLVCXACA-WYMPLXKRSA-N	445.306	5.002	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1C#N	408740917	JDDVOSNVMROFGK-STBIYBPSSA-N	435.483	5.063	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1	408896065	MQMKAXDRUNTDOO-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	409195231	GNNMSZBGAZQUTC-WUERFNLMSA-N	425.319	5.158	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1	1739491	SQEBMARTTMTYNN-LSDHHAIUSA-N	431.555	5.487	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccccc1F	2250013	MPHPLTJHYFUGRZ-AQTBWJFISA-N	429.882	6.028	50	40	IKGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1	8437788	GEUFIQOKPUGDJN-QFEZKATASA-N	447.288	5.124	50	40	IKGB	
CCCCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	9445809	LWVHYAIZBKWHNC-GHRIWEEISA-N	428.388	7.436	50	40	IKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cccc(F)c3)ccc21	15133866	CAIJYAXIVHNFJB-LQKURTRISA-N	430.483	5.088	50	40	IKGB	
N#C/C(=C/c1ccccc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	16526094	SPNSLVBSMOCCMS-BOPFTXTBSA-N	440.911	6.787	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc1	20123646	BXZIRTNCVVMUGR-JOCHJYFZSA-N	436.964	5.711	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1C	408598515	BYLMZCRDRJRGQN-WOJGMQOQSA-N	434.952	6.289	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)cc1	408745627	ULPWJANTYLJBNK-ZHZULCJRSA-N	447.332	5.882	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	408784571	UZTTYJCZTDRMJN-GDNBJRDFSA-N	445.288	5.097	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)n1-c1ccc(Br)cc1	408813888	YTJVBKBKLBLDJM-VRAWXEIOSA-N	440.385	5.459	50	40	IKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408834940	VNMJEQRABSLLGU-RCCKNPSSSA-N	446.934	6.252	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1	408913790	UEELJHFZJYCIGW-OGLMXYFKSA-N	434.511	5.195	50	40	IKGB	
CCOC(=O)/C(C#N)=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	2154618	VNWWMZKAASJVJP-QUBJTGISSA-N	425.569	5.264	50	40	IKGB	biogenic
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(F)(F)F)n2)c1	2203396	IJWAJISEPFDYOV-JLHYYAGUSA-N	435.858	6.467	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(C2CCCCC2)cc1	2315760	VRWOLSOGSOCFRO-LFVJCYFKSA-N	427.548	5.958	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1	9310729	GUVVSDLDWXJFHK-WQRHYEAKSA-N	426.432	5.123	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cccc(Br)c2)cs1	11853105	JJVKMWJRTHMPKA-FMIVXFBMSA-N	445.273	5.596	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	33702335	OYYKSHLKQMPGGI-AFUMVMLFSA-N	445.500	5.461	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1	59335177	ZLFFCBIKYIWMJO-QNGOZBTKSA-N	439.946	6.506	50	40	IKGB	
CC[C@@H](C)n1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc21	96480064	QGUCROFGKPBOMA-HQXWYHRWSA-N	427.346	5.839	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	100175495	CJEOMUGDAHZTAV-HCMJPPQXSA-N	431.363	5.849	50	40	IKGB	
O=C1C(Cl)=C(SSC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21	100988033	OWQXGAIJJAXVOX-UHFFFAOYSA-N	447.320	5.427	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408581051	TUQGYCLMDLCCMV-UDWIEESQSA-N	438.354	7.344	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccccc1	408792045	GZGXQNLKYODUGS-OEAKJJBVSA-N	438.914	6.618	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cc(C)cc(C)c2)cc1	408874392	AWRWBXGNPFOBMS-HYARGMPZSA-N	430.935	6.102	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408896635	SQWUHRUXXPTNIM-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)ccc21	408905646	BVLOWISHWSMQDM-QFEZKATASA-N	449.352	6.041	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl	408940580	VBFLMIKSVYWVPV-OPEKNORGSA-N	426.225	5.567	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409141725	WNCGEMDDOMNAQY-QFIPXVFZSA-N	439.298	5.496	50	40	IKGB	
CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)c4cccc5ccccc45)cc1c32	2411090	POICXOSOGGSKTG-UHFFFAOYSA-N	445.478	5.402	50	40	IKGB	
Cc1c(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c(C)c1COc1ccc(F)cc1	2789011	QIAPZOVHNWPTCO-RUZDIDTESA-N	446.522	5.453	50	40	IKGB	
COc1ccc(-c2cc(-c3ccccc3)nc(OCCOc3ccccc3)c2N=C=O)cc1	6157148	JFNNPJYVVRERGW-UHFFFAOYSA-N	438.483	5.849	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2c(ccc3ccccc32)o1	8437548	KLDKCUKDLFZISS-QFEZKATASA-N	425.400	5.518	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)s1	9086958	HVMSCNWWXFWLNW-GXDHUFHOSA-N	435.892	5.570	50	40	IKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1c(Cl)cccc1Cl	20238394	ZQINNDULELEMOQ-HNNXBMFYSA-N	430.360	5.208	50	40	IKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408537893	HTOQKCMHLKUHBZ-CYVLTUHYSA-N	426.944	6.243	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1	408579872	KXGFONBXQLPAQL-HZHRSRAPSA-N	426.516	5.784	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccccc1Cl	408762353	OGFFDFLGJFSUSU-LCYFTJDESA-N	427.243	5.497	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	408764397	RPQLDAMZZUYPNE-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408791010	ZXXURBCWUZMBCY-XSFVSMFZSA-N	443.890	5.367	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(C)c(C)c2)c1	408803092	LEPMRUGZBCJRPY-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1	408853799	SHKOGTWHMOWZTH-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1	408887700	QKDWKOKZOLROMZ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1	408965570	IXCUVDFRJOVSBK-YUMHPJSZSA-N	427.508	5.197	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(F)cc1	409053781	PLDCJHZXNSPAEL-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1F	409238766	FNHMXZGACBNONB-KQWNVCNZSA-N	444.506	5.069	50	40	IKGB	
COc1ccc(-c2ccc(C(=O)NNC(=O)C3CCC(c4ccccc4)CC3)cc2)cc1	1500338	QJJJPSGQXVKNKC-UHFFFAOYSA-N	428.532	5.097	50	40	IKGB	
Cc1ccc(-c2cc(C#N)c(SSc3[nH]c(-c4ccc(C)cc4)cc3C#N)[nH]2)cc1	2258979	MLFSAUCZYRJRAF-UHFFFAOYSA-N	426.570	6.836	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(C(=O)O)cc1	2773821	RXEIPRIDLUGLIV-JLHYYAGUSA-N	427.243	5.497	50	40	IKGB	
COC(=O)[C@@H]1C(O)=NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	9015207	YXWGQTBBURMWKU-MOPGFXCFSA-N	426.925	5.160	50	40	IKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1OCc1ccc(Cl)cc1	9846146	RDUGPAQAEQHNHM-STZFKDTASA-N	446.934	6.090	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1	59282121	VUHLSZKQFPWUGW-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
CC(C)N1C[C@@H](COc2cccc3ccccc23)O[P@]1(=O)N(CCCl)CCCl	301054500	WKAGVXBUKRAMFF-XDBZFTIUSA-N	445.327	5.216	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccccc1	409045200	FPTPEKGWBNOGKO-CAOOACKPSA-N	449.164	7.943	50	40	IKGB	
CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12	4048169	NUFQCYGMDGDPAI-CKMGUBGDSA-N	446.956	5.615	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1Br	8666893	DBEUUUKJRTVJEG-BHGWPJFGSA-N	437.215	5.492	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1	13881252	DWCOHIWUBBKREM-XNTDXEJSSA-N	441.270	5.029	50	40	IKGB	
CCOC(=O)/C(C#N)=C/C=C(\Sc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1	16682014	ZQKJFKQWGJOTNX-HVFGMAQXSA-N	437.908	5.536	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	26123738	DOIXOHWVPYRRSE-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(COc2c(C)cccc2C)cc1	33523447	QJAMVUMXPLMZJT-MWAVMZGNSA-N	444.619	6.595	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccs1	58979990	KVPTYABLQANUPD-OGLMXYFKSA-N	449.535	6.071	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	59447370	IXQLTVQFFKMSJB-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21	208192634	GIJUVRZQQBRLCU-CIKBWMHTSA-N	428.363	6.261	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC	408538892	CZMOJTLLXTZCBX-IMRQLAEWSA-N	445.003	6.550	50	40	IKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c3ccccc32)c1	408542682	NAVBWBQDSHQPPM-JCMHNJIXSA-N	449.510	5.330	50	40	IKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408872288	CMODNLXFIPPUIO-RCCKNPSSSA-N	440.905	6.769	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1cccc(C)c1	408970125	BCSLPHCRTQVXGF-JFLMPSFJSA-N	444.487	5.101	50	40	IKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1	985826	PWICNBLOLUVVOO-IBGZPJMESA-N	449.352	5.256	50	40	IKGB	
COC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(C)=O)c1C	2197746	NKNRUVOOZJJBSC-ZROIWOOFSA-N	441.509	5.285	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(F)cc1	16268408	TYGMUTDPHMJSRQ-MBTHVWNTSA-N	425.463	5.897	50	40	IKGB	
CC[C@H](C)c1[nH]c2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	32116810	KKUUMXZADCBVMX-ZGUVFNMESA-N	438.325	5.954	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59233011	ZFYRVVFKBUVZIE-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1[N+](=O)[O-]	59447327	LLSBGOPBKZXEAZ-JVWAILMASA-N	439.471	5.399	50	40	IKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473556	YPTVZMFALCEOGG-JVWAILMASA-N	432.589	5.919	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c3ccccc32)cc1	408676955	NZKUWHZJMFIOGH-RDRPBHBLSA-N	436.559	5.362	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2Cl)o1	408760308	WJPXGDUHHQKOFA-KAMYIIQDSA-N	425.271	6.002	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc(Cl)c1	408801162	RUYZAOUBHXEMIS-XDHOZWIPSA-N	448.906	5.569	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1	408871888	YXYCSXCFDNYNLD-ZMFRSBBQSA-N	444.318	5.130	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1	408892805	CZVQOANZDYVILA-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408897496	XJAUZEKXQUKIBB-WOJGMQOQSA-N	438.443	5.201	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCc1ccccc1Cl	408898155	VEGSZLJCTXJFRF-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1	409008924	AIKCREQWHBZEIN-NTFVMDSBSA-N	428.454	5.730	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	409136359	SQKLPZDDUIAVLF-MFKUBSTISA-N	425.985	5.688	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	409256647	MNHVWXXNMHHNBS-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2F)c1	3090683	DKQCQCCSSQZFTL-BRJLIKDPSA-N	430.266	5.149	50	40	IKGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1OCc1cccc(Br)c1	3167492	UKTIVIWYKBZAGM-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1ccc(Cl)cc1	9296684	AGUYHNGVENKIAW-UHFFFAOYSA-N	446.902	5.161	50	40	IKGB	
C/C(=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc(Br)cc1	9374487	DPOLXMOSNXTUIN-XYGWBWBKSA-N	438.369	5.213	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	9948739	ASUZAJDUZPDOGZ-BGTIHQIHSA-N	431.492	5.406	50	40	IKGB	
COc1ccc(N(C(=O)CCCCl)[C@H](C#N)c2ccccc2OCc2ccccc2)cc1	26895990	IASOEVIGMUXMTD-XMMPIXPASA-N	448.950	5.891	50	40	IKGB	
Cc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)c(C)n1-c1cccc2ccccc12	41120739	JNERBKBMUJCUQR-RCCKNPSSSA-N	448.551	7.052	50	40	IKGB	
O=C(N/N=C/c1ccccc1Br)c1ccc(CSc2ccccc2)cc1	58915972	LFLUPXWOXKLIRN-OEAKJJBVSA-N	425.351	5.505	50	40	IKGB	
O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(CSCc2ccccc2)cc1	59473719	MTQUINNLIBOWFR-VULFUBBASA-N	448.613	5.378	50	40	IKGB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(C(C)(C)C)cc1	101859962	PILPGWLSQHQITD-ZASBYKKMSA-N	448.394	5.196	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C	118930531	WDRGNJZPWVRVSN-QGCYDVEPSA-N	449.561	8.791	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C	260569387	PZMGWSRKUNNYBV-OXVLKEGXSA-N	427.976	5.370	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408538923	RKYWETMQLAUSBR-NBVRZTHBSA-N	427.342	5.954	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1	408740781	MJRQVTUKQXLOMU-DHRITJCHSA-N	441.300	5.240	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1C	408746354	YOFUKWAFTQBFAJ-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2C)cc1Cl	409064454	PNASTIYXULGOSB-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1	409312966	AMPZVGKUMBGROW-JCMHNJIXSA-N	436.467	6.400	50	40	IKGB	
CN(C(=O)c1ccccc1Cl)[C@@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1	1735423	OZJXZJZVXXMSIT-RUZDIDTESA-N	449.874	5.718	50	40	IKGB	
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	2202544	TVJMUEHRCXUPHO-CYVLTUHYSA-N	427.529	6.236	50	40	IKGB	
CCOC(=O)N/N=C(/C)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	4524480	KYGNNLDSEWCYTO-IQSUALHNSA-N	430.633	5.684	50	40	IKGB	biogenic
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(F)cc1	8812207	XAYPUCOYOZNTNZ-RWPZCVJISA-N	432.882	5.975	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)[C@H]1C[C@@H]1c1ccccc1	9309639	LGHQRFLPTOEMKK-BVKSLGQFSA-N	427.935	5.597	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OC(C)C	17307206	UKRNSOWGYOZQPR-GIJQJNRQSA-N	434.517	5.789	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1	34865279	GWOVOOPTNFPISO-QRVIBDJDSA-N	430.334	7.790	50	40	IKGB	
CCOC(=O)/C(C#N)=C\C=C(\C=C/N(C)CC(=O)c1ccc(Cl)cc1)c1ccccc1	34901791	XBDBOYMHTBLWQX-JUENCONSSA-N	434.923	5.065	50	40	IKGB	
COc1ccc(N/C(SCC(=O)c2ccccc2F)=C(\C#N)C(=O)c2ccccc2)cc1	105793164	KECLOJNIEPDIKN-DAFNUICNSA-N	446.503	5.480	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccccc1	408787423	ZZKAAMGLKOCHKJ-PGMHBOJBSA-N	438.914	6.618	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(C)c2)cc1	408795334	BXGNJJABGFTACQ-PXLXIMEGSA-N	442.515	5.527	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1	408812615	SUKNIIAGOKJRSD-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)Nc3ccc(F)cc3)cc2Br)cc1	408910865	LQMUWQSPYDIDJY-JJFYIABZSA-N	448.317	5.796	50	40	IKGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1	9693535	SYBCHRJYVHXVMW-HXUWFJFHSA-N	437.590	5.027	50	40	IKGB	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1	19646603	XGDCKMUJCZIICA-NTUHNPAUSA-N	447.900	5.155	50	40	IKGB	
Cc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1	31847235	CRGLUNQCBWUDBW-YSMPRRRNSA-N	444.332	5.737	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OC(C)=O	39383873	PVGXOKMDIMMKBS-SRZZPIQSSA-N	426.497	5.961	50	40	IKGB	
O=C(OCCCCCl)[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	100930689	PKKSIDRANDIEFY-NRZXQICZSA-N	435.389	5.400	50	40	IKGB	
O=[P@@](NN(c1ccccc1)c1ccccc1)(c1ccccc1)c1nc2c(s1)CCCC2	101023687	VRCVTQVHHFXSLQ-PMERELPUSA-N	445.528	5.594	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	209406070	BMHVPNSAGCVZCG-KEBDBYFISA-N	438.310	6.643	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	223176092	WXAYKPYDWFOEPE-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)cc1Br	408526261	BHGXHCJYRSWABK-YBEGLDIGSA-N	443.138	6.844	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)cc1	408727705	XCMHYLMSGZAFCR-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc(C)c1	408741414	ISIJKHHVWOOHOL-NDENLUEZSA-N	432.907	5.782	50	40	IKGB	
CC(C)c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1	408842918	LWMVASSWRNXDBO-RPPGKUMJSA-N	446.498	5.722	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1	408888491	WALGHSLPPRAYDK-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
O=C(COc1ccccc1Cl)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	408908492	AALIDELTQSTCGM-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1	409242645	RYPZKIRBUTYKJA-OOAXWGSJSA-N	439.603	6.093	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409356927	HJWVENOFCCVCTQ-ZDLGFXPLSA-N	444.745	7.299	50	40	IKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	1428796	BEDFCXJZKXBXTI-XMMPIXPASA-N	433.511	5.332	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc2ccccc12	1453746	JWBCVTLODDRNDY-HAVVHWLPSA-N	427.507	6.388	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c1	3232180	UCBVYCRQXKTORP-XQNSMLJCSA-N	446.506	6.222	50	40	IKGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SCCS1	9510347	IKNCOSZDXMDNNA-ZMOGYAJESA-N	444.025	5.379	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	13027841	XATYYJZDSVMDFB-QGOAFFKASA-N	439.378	6.816	50	40	IKGB	
Cc1ccc(C)c(OCCCOc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)c1	13894308	XULDFSCYVAUOBB-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
Cc1ccc(OCCCOc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)c(C)c1	13940319	ATZZRPYTWBCIKQ-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
CCOC(=O)C(C#N)=C1C=C(C)N(c2ccc(-c3ccc4nc(C)sc4c3)cc2)C(C)=C1	16756353	SKWFHCSVGYXCNH-UHFFFAOYSA-N	441.556	6.283	50	40	IKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)sc2c1	35132258	GGQHGCOCLZARMQ-VYYCAZPPSA-N	428.944	6.933	50	40	IKGB	
Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccc(Cl)cc1	408567369	MEMVASCBZQBELN-PDGQHHTCSA-N	440.909	6.731	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1	408727032	XTEVTLQCULMMKX-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)c1	408875421	FMYVJFIWWZEIBT-DEDYPNTBSA-N	449.323	6.033	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	408915526	XBXLGECYIFPFNO-NDENLUEZSA-N	435.321	5.927	50	40	IKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	409124553	KWNPACBUIJARRI-WRGIWNTCSA-N	431.561	5.268	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccccc1	409132508	JWVVCAPQIAZRNM-DZTFFZQKSA-N	434.561	5.214	50	40	IKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1Cl	409137309	WWTPVXVXBWKEQZ-XMMPIXPASA-N	448.906	5.241	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	409364607	QKKSAYIVNCITQS-DICXZTSXSA-N	441.358	5.828	50	40	IKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	1750087	GOEYPSJIJVQSCX-UHFFFAOYSA-N	438.612	5.538	50	40	IKGB	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Br)c1ccccc1	2581855	FQHGMTRVOHPTHF-CYBMUJFWSA-N	426.154	5.799	50	40	IKGB	
Cc1nnc(SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)s1	9588970	CWXRWPLACYTQAP-FOKLQQMPSA-N	436.484	5.025	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(Cl)cc1	13616745	SMRSDBVNPCKIOY-DEDYPNTBSA-N	443.934	6.567	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc(C(F)(F)F)c1	14359432	DWPPUHKITABVDB-CXUHLZMHSA-N	435.276	7.484	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1	20764521	IAQJEQFPJINERS-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc(C(=O)O)cc1	34869658	PZGUQMXFZQUXAS-LSCVHKIXSA-N	442.273	6.474	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	59297044	YMGVBBITWGEPIP-LDADJPATSA-N	440.396	5.969	50	40	IKGB	
O=C(Cl)c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1	226340089	BBCNTUGHFDICMA-UHFFFAOYSA-N	438.930	5.823	50	40	IKGB	
Cc1c(/C=N/NC(=O)COc2ccccc2)c2ccccc2n1Cc1ccccc1Cl	408528247	HFCUJUPMOHMROX-JFLMPSFJSA-N	431.923	5.181	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C	408733901	CMOBVWSTOHWGFQ-XDHOZWIPSA-N	438.358	6.563	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1	408788558	DMXMBWHGSSKPOA-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408789445	JHPVRARDQKQVCS-RIYZIHGNSA-N	447.716	5.222	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408818517	VUEHZWPZDLMVMG-UKTHLTGXSA-N	431.706	6.761	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)o1	408990063	WCRKDNBHHNRWDC-UVTDQMKNSA-N	437.839	5.371	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)o1	408997079	QTPFWEUPZRCSPP-MFKUBSTISA-N	441.984	5.835	50	40	IKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1	409081685	QDAPLOGPXNJUOR-DTQAZKPQSA-N	435.892	5.048	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	409202433	QOKYFBKWJGHZGJ-SSDVNMTOSA-N	442.953	5.203	50	40	IKGB	
N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1cccc(Br)c1	409313833	JDCJLYVKNLVUCG-HXUWFJFHSA-N	449.373	5.874	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccc(O)cc1	797768	WKNVJQAEHKJIDQ-QGOAFFKASA-N	427.891	5.594	50	40	IKGB	
N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(Br)cc21	1320721	LQFQZWOSCDWUEO-UHFFFAOYSA-N	433.092	5.103	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc4ccccc4s3)c2C)cc1	2727097	GANZYUDMQYVRGT-ZMOGYAJESA-N	434.590	5.255	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Cl)c1	2785376	IBVSCYFHYFAMOY-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(c1ccccc1)c1ccccc1	3144688	LNJRDCZKFDNXAG-LQKURTRISA-N	449.337	6.536	50	40	IKGB	
O=C(N/N=C/c1ccccc1OC(F)F)c1ccccc1OCc1ccccc1Cl	3283944	NFKVAUORMUJENM-LGJNPRDNSA-N	430.838	5.284	50	40	IKGB	
N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	9445057	KKAAIUUIGSIDDQ-OBGWFSINSA-N	429.932	7.232	50	40	IKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1	13147913	DAPSFJSSWMVCGC-KGENOOAVSA-N	440.318	5.580	50	40	IKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccco1	13759543	ADKVUAZDTJEKEJ-GQUZIAHASA-N	434.499	5.399	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	28215938	GLEVKHYTGGUAAL-MZJWZYIUSA-N	433.621	5.711	50	40	IKGB	
Cc1ccc(/C=C\C(=N/NC(=O)N/N=C(/C=C/c2ccc(C)cc2)C(C)C)C(C)C)cc1	31853441	KNNOUVKDRPRHOJ-VSDSITAXSA-N	430.596	6.353	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1	33765604	UWKDFNCMLYQDTM-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OC	59297188	LPWFTFASMWZCIS-VGOFMYFVSA-N	449.732	5.364	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1nc2ccccc2s1	95100352	YCHZMEZBHWVILH-QGOAFFKASA-N	429.476	5.560	50	40	IKGB	
CCCCCCCCCCCCCCCC(=O)NN=c1c2ccccc2[nH]c2ccccc12	102054650	ACJGRWVIOKOYNB-UHFFFAOYSA-N	447.667	7.734	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)CC(C)(C)N2C(C)C	223590208	WDISZFMIYIZSBE-BYEGDDEQSA-N	446.422	6.566	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1nc2ccc(F)cc2[nH]1	408567325	CXYPHHDZLPFMKK-YVLHZVERSA-N	448.295	6.108	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408819820	UCXCNBDTOCLGMS-KQWNVCNZSA-N	441.575	5.624	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)c(C)c1	408878023	YXLQARLUTPERPQ-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1	409366591	WTOZWVHCCORJAC-QFEZKATASA-N	438.369	5.166	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1C	2290160	PMWNZSRLHUYQAW-XMHGGMMESA-N	449.535	6.663	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)cc1	3206682	JXEAJUUDMWWPAB-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057446	ODGFFCPNMZLADJ-CJLVFECKSA-N	449.466	5.873	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1	12363706	GUVVSDLDWXJFHK-WOJGMQOQSA-N	426.432	5.123	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)c1C	59335466	BVNHVHXSSXBGIT-STZFKDTASA-N	427.504	5.043	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1	97980834	KTSXPOUESKWUPL-VFCFBJKWSA-N	438.612	6.253	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)nn2-c2ccc(C)cc2)cc1	408724462	KUGDEBOPWDCSQD-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408796825	QBOQTYZNXHADHZ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccccc2Cl)c1	408887086	NSKUKNMOZFDGCL-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\C=C\c2ccc(N(C)C)cc2)cc1	408945945	OHZMTRFJMOCYJH-BUACEYMASA-N	448.570	5.948	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1Cl	408984459	RJTQTWAPEWXCCR-OCKHKDLRSA-N	448.979	6.152	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1	409211677	NTJMGGBNHXAIDE-MTJSOVHGSA-N	448.906	6.599	50	40	IKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1cccs1	708359	JRMVLSYTSGYMGH-IBGZPJMESA-N	446.601	5.143	50	40	IKGB	
Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1-c1ccc(/C(C#N)=C/N(C)C)cc1	1392557	PSZURMUHUJKLPO-OBGWFSINSA-N	438.358	5.470	50	40	IKGB	
Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(Br)cc2)C2=C1C(=O)CCC2	1436331	WGDCJYRIUBXLED-SFHVURJKSA-N	440.366	5.124	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccc(Cl)c(Cl)c3)cc2[C@@H]1c1ccccc1	2257018	YYVZQDODQOFMRC-IHUOHLDMSA-N	436.298	5.668	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)cc1OCC	2759126	WOSKKGPULCUEQE-AFUMVMLFSA-N	444.984	6.205	50	40	IKGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc1)C2	3093614	ZHIAERKLBWCWDI-KKMKTNMSSA-N	438.358	5.894	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc2cccnc12	33406235	GAPBGBBBGOGLTD-QINSGFPZSA-N	434.282	6.347	50	40	IKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc(Cl)c1	59445273	XVKNQJJKHKWYRY-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1	223171244	DFRKBKLQUSJVKB-PDGQHHTCSA-N	439.437	5.667	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	408743940	IMGNRDQPPHLVMQ-CPNJWEJPSA-N	434.337	5.711	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(F)cc2)c1	408805848	LUDDPNVRRKWQKP-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408855199	DFTOTOXURZGUNK-RPPGKUMJSA-N	428.319	5.348	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc(C)cc1	408884791	VWDDJTVDSGNZKQ-HZHRSRAPSA-N	426.516	5.691	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	408884924	WAQUNUHZJOBWBR-UDWIEESQSA-N	434.898	6.166	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)c(Cl)c1	408898753	MVDHZXWPISMMJO-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccccc1	409039280	CEWFYHVGJWUSAQ-CPNJWEJPSA-N	433.305	5.531	50	40	IKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	2165949	BFWKACHLZJDZSK-LGJNPRDNSA-N	435.395	6.236	50	40	IKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	8843133	PTJAZXIKQWDAHO-HZZGJGATSA-N	433.360	6.025	50	40	IKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21	32194083	WQGOLZLRUHRTNC-AMVVHIIESA-N	446.432	5.344	50	40	IKGB	
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(O)c(CCCl)c3)c2)cc1	40153158	YQHMOHCJHRANFP-VZUCSPMQSA-N	435.907	5.331	50	40	IKGB	
C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc1)c1ccccc1	95100359	PLFMXEYFKYOWFE-FABDANFUSA-N	425.513	5.982	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1Cl	408588727	JKTLTWXQNIXXBC-LQKURTRISA-N	429.951	5.902	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)c1	408743964	CTWPVCIWQZSFHQ-WQRHYEAKSA-N	431.448	5.416	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1F	408815279	HCYWVKQNWQEJJK-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)Nc1ccccc1Cl	409378031	LTTQOMPPDMKFIW-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
Cc1cc(OCc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)ccc1Cl	648750	AIYUESXWODDQBE-NRFANRHFSA-N	438.911	5.271	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)cc1	1319978	ABXPIHFYIMTNHF-SCELWYEFSA-N	436.533	5.010	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1-n1cccc1	2078406	YJFPYALEBMXJQE-WPWMEQJKSA-N	429.907	5.474	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc(Cl)ccc1Cl	15188704	FKFHJQFHASWBHE-FMIVXFBMSA-N	428.231	5.707	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	33322500	LFCGGILZHBVQQJ-LZYBPNLTSA-N	443.850	5.517	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccccc1	35166684	WFBXKMJTALGVHE-NDENLUEZSA-N	443.934	6.567	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1	59335551	OCFLGAPYXKUQJE-ZHZULCJRSA-N	436.471	5.452	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc21	223513176	QBILVROETLILRD-MTJSOVHGSA-N	448.010	6.913	50	40	IKGB	
CCCOc1c(I)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	408579886	LBQMJUHGQRRWLE-WOJGMQOQSA-N	447.316	5.851	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)cc2)cc1	408786657	LRFACTOOOKJWBY-HAHDFKILSA-N	426.516	5.907	50	40	IKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccco4)cc3)sc2c1	408847257	UMKRRVXXZROLLQ-WYMPLXKRSA-N	437.908	5.472	50	40	IKGB	
CCOc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1	408852103	IHFGPNKMDUAAOO-JFLMPSFJSA-N	435.499	5.576	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1	408881675	LOWWJOXRCIULGP-OGLMXYFKSA-N	438.483	5.140	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	409044008	AKARHXHXUHYDRP-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1	409073704	HVBPIENQPSPVMR-FYJGNVAPSA-N	444.443	5.335	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC(C)C)o2)cc1	409188072	FQPFYJGLSWAQSB-SFQUDFHCSA-N	448.906	6.019	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1	1816759	RMDBLIULNBCWSY-LDADJPATSA-N	434.492	5.585	50	40	IKGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)NCCc1c[nH]c2ccccc12	9265147	OEHAXKGMKGBVOM-AQTBWJFISA-N	448.448	5.243	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1	11612192	WIAYXYQCXMUSGM-QPEQYQDCSA-N	436.161	6.944	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	20197698	RVDDMQGBFHNMLP-VULFUBBASA-N	444.362	5.954	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	34837549	CUCZJTJBZYVRJV-MSXFZWOLSA-N	444.274	5.245	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc(Cl)c1	59133362	JIMQMQNWFNJOHW-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)c2n1	107107853	BZUWERIEHRGKFX-IMKQYSPWSA-N	434.367	5.547	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408599250	QWKBNRSDHNNZCB-NDENLUEZSA-N	434.879	6.290	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)c1	408746070	QPFHTABMANMFLE-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)c1	408848586	RDOACAXWKGYKDR-OEAKJJBVSA-N	428.507	6.184	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)c1	408875966	MRUDNFYGEHDGCJ-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)ccc1OC	409310034	PKOONNMDVZSCCQ-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1cccs1	10060137	IKFCEYQDUUDZFD-ZMOGYAJESA-N	442.924	5.092	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)c(C)c1	13174463	SVBVQCATMBIQOH-QFIPXVFZSA-N	449.601	5.166	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1	14152021	LSWKLMISPIVLIK-FOWTUZBSSA-N	445.569	6.097	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1	15980777	NXIWGDVMGCVPET-XDHOZWIPSA-N	435.277	6.000	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(F)cc1	16249798	XFWIZCMJYQWPOW-DTMXKTEGSA-N	429.539	5.739	50	40	IKGB	
N#CC(C#N)=C(Nc1ccc(Cl)cc1Cl)SCC(=O)C12CC3CC(CC(C3)C1)C2	16385047	VZDOWCCJJIZBRR-UHFFFAOYSA-N	446.403	6.183	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1	59201499	OXNDIOPOHFKACR-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1cc(OC)ccc1OC	104163292	XPHJFNCJZTVPBA-NFFVHWSESA-N	446.676	7.415	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C	223543181	ZPJDPVNRKNNJIS-WEPAEKJRSA-N	432.395	6.258	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1	408583020	QYBWYRABPWWNEQ-RGVLZGJSSA-N	437.898	6.530	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	408921791	BZOSJZCMFAMITG-CJLVFECKSA-N	448.478	5.663	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C	408966712	NSGXXLWGMKCFLJ-BKUYFWCQSA-N	440.934	6.150	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)COc3ccccc3Cl)c3ccccc32)c1	408994107	FSWLRSUEEGHCCV-VYYCAZPPSA-N	431.923	5.181	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1	409226346	NAUFXDKSTXAXLQ-RIRGPFDCSA-N	432.523	6.203	50	40	IKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)cc12	3261466	CDAGJXXSRHQBFO-BRJLIKDPSA-N	428.439	5.178	50	40	IKGB	
O=[N+]([O-])c1cc(Br)cc2c1-c1ccc(Br)cc1[C@H]2Br	4917099	NDNOWUFUWQLVEW-CYBMUJFWSA-N	447.908	5.585	50	40	IKGB	
COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2ccccc2)cc1	8781768	BIWNFDWJHOOCMY-UHFFFAOYSA-N	437.564	6.801	50	40	IKGB	
CCCc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)cc1	17095559	XXXGBASAHSKORF-MTDXEUNCSA-N	427.573	6.378	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	28216996	ODLNNFSMSVHTSP-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)cc1	59445301	FAQCNAZKBOJEKS-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(O)c1	103392060	DILNAOIECSXAGN-VEILYXNESA-N	438.531	5.218	50	40	IKGB	
CC(C)(C)c1ccc(OP(=O)(Cl)Cl)c(C(Cl)(Cl)Oc2ccccc2)c1	104059263	GRSHFFBAHMCRMZ-UHFFFAOYSA-N	442.106	7.616	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC	108150809	CVQXPMWXOQHBJH-YBEGLDIGSA-N	438.325	5.662	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1	408725485	QBPDXCAICMTSSW-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	408742470	ALOPKCVWBDJELS-QNGOZBTKSA-N	439.946	6.506	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1	408809032	GJDOYEZAPLFHTM-UQQQWYQISA-N	438.527	5.226	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1Cc1cccc(F)c1	408873378	QBZRWDLMAGUMCF-KGENOOAVSA-N	430.479	5.369	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	409323943	QGBDBEUFGZNLHY-MRXNPFEDSA-N	446.359	5.012	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	2268373	FDTARFOPNDFWGP-PLUOQXPISA-N	434.539	5.695	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1	3668637	RCRSMVWZEBVYDJ-STZFKDTASA-N	428.488	5.137	50	40	IKGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	12139996	PBCWUPVYGJONSS-CXUHLZMHSA-N	425.307	5.423	50	40	IKGB	
Cc1ccc([C@@H](Nc2cccc(C)c2)[C@@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16292103	QUFDVMUEEBQOKX-IXCJQBJRSA-N	436.580	7.076	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1	35128107	YZCZFUBPSPYCRX-YVLHZVERSA-N	449.894	5.000	50	40	IKGB	
N#CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3ccccc3)[C@H](C(=C(C#N)C#N)C3CC3)[C@H]2C=C1	102132142	KPMYTGOXYTXWGB-OIIADRAWSA-N	442.522	5.053	50	40	IKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(O)=C32)cc1	102594349	NHRBKXBMBOLDMT-XMMPIXPASA-N	449.019	7.666	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1	408579626	IUPWOOALBYSXST-KGENOOAVSA-N	444.361	8.098	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1Cl	408587860	HNEABSCTTQNMJW-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Cc2ccccc2Br)c1	408873550	RSERQMDCDKKXQX-DEDYPNTBSA-N	447.332	5.594	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1	408877595	VZENFIHDCZPXPE-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
Cc1cc(NC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br	408905025	SCIUKEAOJOOTOM-SRZZPIQSSA-N	443.257	5.081	50	40	IKGB	
Cc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc(C(F)(F)F)c4)o3)[nH]c2c1	408961404	BZQIFYJRPMCJCG-OPEKNORGSA-N	444.438	5.398	50	40	IKGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)c1sc2cc(Cl)cc(Cl)c2c1Cl	408970126	BDECUVJAUFWBPG-MPUCSWFWSA-N	427.696	5.354	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccccc1	409071663	PLIPKZNRGOSGGO-SFQUDFHCSA-N	430.312	5.825	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(Br)cc1	409080901	OJRVQXOVCYJJBA-NHDPSOOVSA-N	435.730	5.611	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc3ccccc23)cc1OC	409375112	FTKQVEMTYNBWEF-JAYSCUBMSA-N	440.927	5.208	50	40	IKGB	
CN(NC(=O)/C(=C/c1cccs1)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl	1399024	WLTHTNFYOVHENE-LFIBNONCSA-N	437.874	5.524	50	40	IKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	3031934	UIBCEBSDWDSTNT-MZJWZYIUSA-N	431.923	5.181	50	40	IKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1	3663372	QCFITLZXLUXHAN-HZHRSRAPSA-N	427.595	5.498	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	59535777	WUVIPFCNUYLWIO-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	110417332	UBDCKHRADMEQRB-HEHNFIMWSA-N	436.552	6.076	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	209280451	JBVHYJRWEUSQSL-UYRXBGFRSA-N	448.906	5.482	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408527158	FEBHNYSTCGIGJB-RPPGKUMJSA-N	429.351	5.272	50	40	IKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1C	408599249	QVOFXLIHWTYKDQ-XMHGGMMESA-N	442.544	5.804	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)c2C)cc1	408745363	MHHXTIQQSSMLQF-ULJHMMPZSA-N	441.575	6.381	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1cc2cc(Br)ccc2o1	408844189	BLPIZTXAIBPDEF-KSEXSDGBSA-N	427.229	5.358	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)NCCc1c[nH]c2ccccc12	408849683	XUWCDXGAEAQUEE-HMAPJEAMSA-N	439.490	5.152	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408880703	IDKHFYRWETZCNK-JJIBRWJFSA-N	432.523	6.299	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1	408961095	RABWPQGTXJIJMN-JFLMPSFJSA-N	441.487	5.125	50	40	IKGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)c(C#N)c1C	409367487	BKBAQKADLQNZQT-KIBLKLHPSA-N	429.307	5.246	50	40	IKGB	
O=C(CNC1CCCCC1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409377035	FLEBBKYFQQWAGU-MUFRIFMGSA-N	449.982	5.445	50	40	IKGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccsc1	1088170	INNRRXQIQHHHTG-UUOWRZLLSA-N	441.531	5.586	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)ccc1C	1916501	BAQVQINJHUUAOS-FYJGNVAPSA-N	447.918	6.014	50	40	IKGB	
CCOC(=O)c1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n(-c2ccccc2)c1C	3223907	YHEMGRKDTQGHIK-NBVRZTHBSA-N	447.922	5.470	50	40	IKGB	
O=C(NNc1nc2ccc(Cl)cc2s1)c1cc(-c2cccs2)nc2ccccc12	8830484	LYPRSODXRVPVIO-UHFFFAOYSA-N	436.949	5.983	50	40	IKGB	
C/C(=N\NC(=O)CSCc1ccccc1C)c1cccc(NC(=O)c2ccccc2)c1	8843118	NKYCFBFHFMRVCJ-ZXVVBBHZSA-N	431.561	5.021	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1	13174433	IMZXRSXMKUHZKC-XMMPIXPASA-N	443.572	5.104	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	20197608	RDCFZQYDWJGRMC-VUTHCHCSSA-N	438.527	5.972	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc2ncccc12	33283035	SVENPFFEMUOOGK-KAMYIIQDSA-N	434.282	6.347	50	40	IKGB	
CCOc1ccc(OCc2ccc(C(=O)NN=C3CCCCCCCCCCC3)o2)cc1	33797172	FTUZEWRYCHURCB-UHFFFAOYSA-N	440.584	6.648	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc32)c1	59254477	NAOSRVULEYCBDS-DEDYPNTBSA-N	436.471	5.452	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1	408762496	LCTVKTPFRIUDHJ-NBVRZTHBSA-N	447.288	5.214	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1	408797840	UBXMJDPFPGKQPT-QGOAFFKASA-N	433.851	5.373	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1cccc(Cl)c1	408832405	QKZINYHIEPURLX-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408946773	PVAYHUQODSGINS-OTTIKCOKSA-N	445.313	5.145	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1cccc(C)c1	409016169	DKJVZBJMBSVGAP-VYYCAZPPSA-N	448.906	5.746	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1O	409063886	NTVRGETWCCCSDV-ZVHZXABRSA-N	441.325	5.251	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC	409313806	QWODRJOEBOQURW-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1ccccc1N(NC(=O)c1c(Cl)ncc(Cl)c1Cl)C(=O)c1ccccc1	1056037	KRGLHBRQJIADHZ-UHFFFAOYSA-N	434.710	5.342	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1	2204239	IJDCOULEQXIXAA-JLHYYAGUSA-N	435.858	6.467	50	40	IKGB	
CC(=C/c1ccco1)/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1	8691782	LGJUWLXVYSLWHH-AWTHELJJSA-N	444.607	5.029	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1Cl	59336572	XOZJWPSGSDJEHJ-UNOMPAQXSA-N	448.309	5.990	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1	59534364	HPFGIJYKLPHYTE-WOJGMQOQSA-N	438.936	5.212	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)Sc1nc2ccccc2s1	107678459	ZCIGOEKWSMJIGQ-LFIBNONCSA-N	428.460	7.232	50	40	IKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC	108174027	RVYHFTQRWXQGSI-TUTDSIAXSA-N	431.286	5.607	50	40	IKGB	
O=C(N/N=C/c1ccccc1F)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408724479	LCKXOLIATRYISL-RDRPBHBLSA-N	434.474	5.596	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	408744233	DOFGANCZOWLYNE-ATVHPVEESA-N	440.330	5.955	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Cl)c1	408791496	YGIHJJBYEAMGNN-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1cccc(C)c1	408816418	YOAMPIIKFDXDDZ-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1Cl	408816433	YSWWCRWRQFWOGT-VXLYETTFSA-N	438.358	6.563	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4sccc4C)cc3)cs2)cc1	408838055	BSPMNZRNIJWIGU-ZMOGYAJESA-N	432.574	5.996	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1	408869691	QKGKJYIOQNSDKE-DEDYPNTBSA-N	449.323	6.033	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1OC	408973589	UOCNUWSJUHNOQE-UYOCIXKTSA-N	443.739	5.643	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1nc2ccccc2o1	409043882	FQXBQBFROSSMNA-CXUHLZMHSA-N	439.273	6.917	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1	1097453	OOSLHNGBHUFKMK-PDGQHHTCSA-N	446.337	6.542	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	9057428	NNROHSFCTFANCO-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
O=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCC(c2ccccc2)CC1	12652150	GJRGFJFSRDNNPF-UHFFFAOYSA-N	428.532	5.474	50	40	IKGB	
COC(=O)[C@H]1C(O)=NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1C	17014673	MFWSLHYPMJUUSZ-XZOQPEGZSA-N	442.540	5.660	50	40	IKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C(F)(F)F)cc1	19630621	GBANQHXKBGIHST-MRUKODCESA-N	439.846	5.210	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(C#N)c2)cc1	20197836	MRXGHVHXAOIKIG-LQKURTRISA-N	447.922	5.343	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1	59447308	FEZCDVUNUQEPGU-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc21	223476124	DUVVJVNDWSCPJP-AFUMVMLFSA-N	440.385	5.623	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	408579564	HXCBEZHNWVFUPI-CXUHLZMHSA-N	449.164	7.943	50	40	IKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSC1c2ccccc2-c2ccccc21	408863004	JZUQLNJRXKQSRQ-TURZUDJPSA-N	428.601	6.350	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Cl)c2)cc1	408882215	OATGBLUDTADZOV-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408883669	VYOGJPAHQFYFLI-ONNFQVAWSA-N	430.169	5.466	50	40	IKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c(C)c1	408933281	AGNKFLCXNYVDIK-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Br)c1	408983110	KOZCRCKIXNIFNY-WZUFQYTHSA-N	426.097	5.316	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1	409132559	QIHVNONLPMPMNX-QFIPXVFZSA-N	439.298	5.496	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1C#N	409187786	CGSQRDOMIZKMCQ-JAIQZWGSSA-N	449.938	5.155	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC(C)C)c(Br)c3)cc2c1	409187972	WBZNDGBBYIRSQU-FMCGGJTJSA-N	445.313	5.145	50	40	IKGB	
O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12	1469538	OYVMZSMTYXIIIF-UXHLAJHPSA-N	433.515	5.239	50	40	IKGB	
CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1	9057815	DOFLLYWSVAYFHC-LVZFUZTISA-N	431.561	6.524	50	40	IKGB	
C/C(=N/NC(=O)[C@H]1CC1(c1cccc(C)c1)c1cccc(C)c1)c1cccc2ccccc12	15133872	RXOOYYHEWGFSCP-WFYOHKHESA-N	432.567	6.303	50	40	IKGB	
Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl	38680133	YBZSFTZGRYKKFP-OAQYLSRUSA-N	434.854	5.225	50	40	IKGB	
COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	72400015	KAUHDOOZHXVBCP-UHFFFAOYSA-N	428.448	5.098	50	40	IKGB	in-vitro
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1C	96817139	AZAAYTSSAFFLDX-LFVJCYFKSA-N	431.580	5.160	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1)[C@@H](C)CC(C)(C)N2C	208214282	ZRNPGARVXLVDDC-IPFQNQMQSA-N	431.502	5.429	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OC(C)C	408810914	JTKYWKVTYIVSTQ-CXUHLZMHSA-N	429.314	5.099	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1	409000791	FYNXGHJKLJXJMP-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(C)cc1	409051049	HJJUBDGGAREGEH-JFLMPSFJSA-N	436.939	5.698	50	40	IKGB	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc(Cl)c2)cc1	409110020	POGRGALIBRDGBW-QRVIBDJDSA-N	425.897	5.472	50	40	IKGB	
COc1ccc(-c2ccccc2)cc1SSc1cc(-c2ccccc2)ccc1OC	1667696	ZWKDJUBCFDGBHL-UHFFFAOYSA-N	430.594	7.837	50	40	IKGB	
O=C(c1ccccc1[N+](=O)[O-])[C@@H](Br)[C@H](Br)c1ccccc1Cl	1745306	WFMPBHSYBWGRIW-KGLIPLIRSA-N	447.510	5.331	50	40	IKGB	
Cc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1	2337319	YYGRGLSTWXUJHZ-UFFVCSGVSA-N	449.026	5.035	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)cc1	13174755	ODOKLQICHPGBHM-JOCHJYFZSA-N	433.533	5.538	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1cccs1	20813568	KLMBTPOETZCCIY-LJQANCHMSA-N	430.982	5.594	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1	28216479	BLMNKWOXJATUSZ-FOGHPNEFSA-N	440.012	5.995	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	59447306	LIKWKMNIOMCVQZ-LGJNPRDNSA-N	447.749	5.919	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccc(Cl)c(Cl)c1	408587379	FQGWGISERWELTH-SSDVNMTOSA-N	442.437	5.437	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	408599010	NOUZHJGTDHQUOD-ZMOGYAJESA-N	425.872	5.570	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1Br	408691779	PWUSROOSFFITJV-ODLFYWEKSA-N	445.364	6.122	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408757911	DQHLPCLNONWENE-CPNJWEJPSA-N	448.563	5.710	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc(C)c(C)c2)c1	408816220	SYYILKMJWCAFQD-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccccc1F	408864885	AVTUCODFMMGLBB-HMMYKYKNSA-N	440.449	6.243	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408865543	CVWDUNDUZLNBLL-OVVQPSECSA-N	444.578	7.210	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Cl	409010458	FBVUKZPMJDPZGV-GEGDGZKASA-N	436.939	5.713	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2cc(Cl)ccc2o1	409022267	LSTSFALDGUCFTL-RMORIDSASA-N	444.230	5.672	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)NC1CCCC1	409191717	LJWVGDMZBRPJDO-NVMNQCDNSA-N	440.330	5.410	50	40	IKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Br)s1	2133573	ADVXUFGRJRSGNR-DJKKODMXSA-N	436.158	5.127	50	40	IKGB	
O=C(N/N=C/C=C/c1ccccc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	2197661	PEEHLELGROHBNP-INIGBHMASA-N	444.332	6.026	50	40	IKGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CSc2nc3ccccc3s2)cc1	2632449	LUCCDFYNQZOIES-ZMOGYAJESA-N	447.541	5.051	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(F)cc1	33453044	CGZHUQWPDQMHLN-DEDYPNTBSA-N	427.479	6.052	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC	33748235	GTVSACJAJCYNOH-YBEGLDIGSA-N	436.309	5.109	50	40	IKGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)c1	33777174	LPDOJAUPRYUQEK-HMMYKYKNSA-N	431.499	5.499	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3cc(C(=O)OC)cc(C(=O)OC)c3)n2)cc1	44835394	KOXXEENZNHLHIK-RGVLZGJSSA-N	432.501	5.010	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)c1	59335487	KSOBWTRDMLMFOZ-HMAPJEAMSA-N	427.504	5.125	50	40	IKGB	
O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1	83311575	FFEVWAKTILTMIN-MSXFZWOLSA-N	444.274	5.245	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(Br)cc1	408535669	ZMFSWRCXUNMSAW-LCYFTJDESA-N	429.657	6.335	50	40	IKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2o1	408764223	SKOJHTSHXWSLEB-LFVJCYFKSA-N	425.554	5.419	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccccc1	408777601	DAEMCVUZXAEGTH-MHWRWJLKSA-N	444.796	7.123	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCCCc3ccccc3)o2)c(Br)c1	409232298	PYFMCRAWBZHNTL-XDJHFCHBSA-N	449.348	5.674	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)c(C)c1	409266180	KCLGPRGKSSBCPV-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccc1	3073048	QHVBZBDSSYDSBD-LPYMAVHISA-N	434.502	5.120	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccn1	3259125	PXGDWCMQSVAUTR-RDRPBHBLSA-N	437.499	5.004	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1	14134322	PGYIFGZTCYBVIF-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CCCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	16638309	YIAICWICZYZEBB-QFIPXVFZSA-N	444.575	6.230	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	33695005	KPGVIQPLXYJLPV-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1Cl	57582683	YHZYHQQZWMZIBC-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1Cl	96840691	RTMZZUZHFDNHAV-ZSOIEALJSA-N	441.270	5.806	50	40	IKGB	
CSCC(=O)/C(C#N)=C\Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1	100333832	UXRHBVBVTDKQRD-FLIBITNWSA-N	427.835	5.298	50	40	IKGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527987	ZJRXNPPPEHEXIG-SSDOTTSWSA-N	444.119	6.229	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1C#N	408565935	CLBMIVNEPCBQAQ-JAIQZWGSSA-N	438.462	5.616	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1Cl	408586899	CXLBTXDQGVZNAW-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2[nH]1	408599565	WLAOOFPLFJMEAR-UYRXBGFRSA-N	428.473	5.707	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1c(C)cc(C)cc1C	408803207	MJKWTRLYWBOZLR-ZTTITZSBSA-N	446.591	5.801	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1ccccc1Cl	408884429	UKDAFXXNJCAAFO-HYARGMPZSA-N	430.935	6.184	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NCCCc1ccccc1	409230976	AJUQORNLHSKGGH-QGOAFFKASA-N	435.867	5.164	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	409251634	QAFHFCKARSXLLE-RGEXLXHISA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(Cl)cc1Cl	1106153	MWXWEWYMRIRLDP-GXDHUFHOSA-N	426.259	5.028	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1	9327500	RSFKYQPJDXBRBS-XMHGGMMESA-N	445.544	5.203	50	40	IKGB	
Cc1cc(C)cc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1	9335115	PCLUGCZAKYAQBY-RGEXLXHISA-N	449.535	6.663	50	40	IKGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1	13923918	QZLMUVKLFNQEMG-QRQIAZFYSA-N	432.483	5.366	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC	16959939	WGOXWXXOIQVDOK-LTGZKZEYSA-N	439.540	6.471	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)ccc1OCc1ccccc1	19631979	YHKPYRZQGPDZMY-BABSMXRMSA-N	440.543	5.675	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](C)[C@@H]4C(C)=O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1	118918134	PYBGGSNABBXWHO-WLMZUXLSSA-N	443.455	5.991	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	209487783	HWTDLEKRIGGGAM-CIAFOILYSA-N	448.906	6.599	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1OCC	408540249	PCKVXZINMXXBKE-DIBXZPPDSA-N	445.003	6.171	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1nc2ccc(F)cc2[nH]1	408569912	QYJQVCLSUWONKA-SXGWCWSVSA-N	438.289	6.652	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408734843	KMQKLOKREXURNX-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1	408851826	GKXQCXMTXAORBU-MIXAMLLLSA-N	432.527	6.006	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cccc(F)c2)c1	408890088	NOIXNVJSOBGXJW-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1	408968235	XMAGTXBSWLPKEL-HMAPJEAMSA-N	436.515	5.587	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2C#N)cc1Cl	408987682	GIGXWOYHKJLSAE-MTJSOVHGSA-N	427.891	5.645	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)ccc1Br	409196030	YHMSFNXMESIKID-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409210114	DTKDGMWYGKDTJW-JLPGSUDCSA-N	429.479	6.815	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2)cc1	409223343	GZRVYSJPNMEMBZ-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1	409270889	RTXHFPSAXGXSRZ-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCc2cccs2)=C(C#N)[C@H]1c1ccccc1Cl	994159	LFNDOHCEJXTQMD-LJQANCHMSA-N	430.982	5.594	50	40	IKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl	2162491	RLIBDSPRVAYZNT-BRJLIKDPSA-N	427.287	6.055	50	40	IKGB	
Cc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1	2293549	WFLHJXIMUVPMGA-UFFVCSGVSA-N	449.026	5.035	50	40	IKGB	
Cc1cc(C)c2nc(C)cc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)c2c1	6177857	ZULDRZQPWCONEH-KBKYJPHKSA-N	431.483	5.421	50	40	IKGB	
CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	9187306	CCZCZBUYWGBCGO-XDJHFCHBSA-N	438.487	5.043	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)c1	15012395	FUAKGAWOGOKCSR-JCMHNJIXSA-N	435.527	5.942	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1OC	33782641	YJPDLDXYUHFUDC-MKCIMWKDSA-N	425.916	5.081	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1	40144527	NHVHIWHTQHPVGI-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	59117235	JNCZRPOSNZSCJL-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CSCc2ccccc2)cc1	59474306	NXPSBADCBASISN-MZJWZYIUSA-N	428.479	5.903	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3Cl)cc2C(C)=CC1(C)C	208521461	WIEASPJFJJVJQM-WGARJPEWSA-N	425.960	5.199	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2Br)o1	252490526	KWJSMTKLILTXHN-GXDHUFHOSA-N	425.257	5.702	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc(F)cc2)c1	408799077	JSDCWWVCVPDYCR-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	408809435	LGPGIJSZRQPUDV-YDZHTSKRSA-N	439.946	6.755	50	40	IKGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1	408881710	MEHGWDNRNYBHGO-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1nc2ccccc2o1	409078474	IHOKNKGQZHAXRO-GDNBJRDFSA-N	428.360	5.501	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc(I)cc1	409368184	OQCRDEREMKDWGG-WJDWOHSUSA-N	441.224	5.314	50	40	IKGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CC[C@@H](C)C2	3396417	NOVBEOZOUVHVFE-IVWKQIGUSA-N	447.391	5.438	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Cl)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	5632809	JWVMDCGVUCHMAE-VSJMLYEDSA-N	437.108	7.009	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	8721949	GGANYLKMWRYSNF-JCMHNJIXSA-N	445.478	5.542	50	40	IKGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	12139995	ZEFMNGITMFSONY-MHWRWJLKSA-N	425.307	5.423	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	33347187	QJTOKEPRTKBIRP-WQRHYEAKSA-N	425.271	6.545	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(F)c1	59306238	IRBNBXDYNRQHEI-XKZIYDEJSA-N	430.479	5.027	50	40	IKGB	
N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	100726896	LIXJOKSHRRNWIW-JLHYYAGUSA-N	440.311	6.200	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1	408548901	NBTYARRBNFKUMD-IWIPYMOSSA-N	440.340	7.245	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1	408808094	DYCXAWSJWGJZPF-HAVVHWLPSA-N	448.522	6.282	50	40	IKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccccc2)o1)c1cc2ccccc2o1	408950759	UFGWBFSLPPHHKO-UUYOSTAYSA-N	441.306	5.703	50	40	IKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	409012748	KJTIJUHGQQBJAV-STBIYBPSSA-N	445.607	6.159	50	40	IKGB	
CCOc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C	2766539	PYEYWFQCCJAYAZ-UWJYYQICSA-N	436.943	5.120	50	40	IKGB	
N#CC1=C(N)Oc2cc(/N=C/c3ccc(Br)cc3)ccc2[C@@H]1c1ccccc1	3073271	PWJRMRAKNAKKKG-VATWTLTGSA-N	430.305	5.418	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1	3664204	MJKGKVZDZIETHI-APMPPKRVSA-N	445.563	5.029	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1	4107000	XWAHPSSXDUYJLW-MZJWZYIUSA-N	442.390	6.462	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	6405379	CVIBWTZECHKCFE-STZFKDTASA-N	432.483	5.116	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1C	12859341	HKLNJOBKSZQWDT-OPEKNORGSA-N	431.319	5.708	50	40	IKGB	
CSc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1	19816195	OWPVDYIYFRAMPL-FUAYJARZSA-N	447.629	5.221	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1	33860225	NCHKXQNJYBVOAZ-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
CN(C)C(=O)n1cc(C(=O)c2ccc(CCl)c(F)c2)c2c(Br)cccc21	34518625	GUAPPXJGCWOWAT-UHFFFAOYSA-N	437.696	5.042	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)cc(Cl)c3)n2)cc1OC	100302577	JKYGRBTZHJSIKR-JLHYYAGUSA-N	432.332	6.111	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	223175121	DRSPUFYQZDRVOL-VBKFSLOCSA-N	440.377	5.298	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1	408526672	CZTPDDUNALVOII-ZROIWOOFSA-N	429.657	6.335	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1Cl	408531206	NNGDGPHHCYWFRN-ODLFYWEKSA-N	425.757	6.883	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)cc1Cl	408534461	VRBNEDIQDMVUAY-LUOAPIJWSA-N	435.833	5.489	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408795070	KZDFBEFQMOXZOE-LDADJPATSA-N	440.434	5.283	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2cccc(C)c2)c1	408812964	QADCULTVRUZHEZ-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1ccccc1F	408866267	GWUVFKIJDGCJAL-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1	408888659	YMOMXPQBPSKFLQ-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
COc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Cl	408904579	LRJGOQPKPSMURI-ZBKNUEDVSA-N	431.117	5.229	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2cc(Cl)ccc2o1	409018882	WEMLCZFKQQFEDR-VROXFSQNSA-N	433.678	6.417	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1	409052567	KKHKWJKENXXKEV-LGJNPRDNSA-N	426.875	5.139	50	40	IKGB	
COc1cc(OC)c(/C=C(/C#N)c2ccc(I)cc2)cc1Cl	409371392	IPDLVLYGVFRXKU-QPEQYQDCSA-N	425.653	5.026	50	40	IKGB	
O=C(CNc1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409379830	ZWXULYQVZAAYPM-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
N#C/C(=C1\OC(=N)[C@H](c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1Cl	5810641	GNVSTEHBPDMGME-OMGLAOQBSA-N	426.086	5.895	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)c(C)c1	9065314	AKKCDIVXAVHFDV-HXUWFJFHSA-N	433.577	5.137	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1	9246696	RBKQMSJIDGQXQH-BUVRLJJBSA-N	436.559	5.458	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(Br)c1O	12140014	QAGBYAJKUTUISP-AWNIVKPZSA-N	431.286	5.490	50	40	IKGB	
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(N=C=S)c1	13719826	BNAKCEFXXMHXDQ-NRFANRHFSA-N	448.419	5.566	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	20197828	VDVILYIACDMECA-JFLMPSFJSA-N	440.902	5.611	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccc(Br)cc1	28216202	LMAHSSHNMSANEI-YDZHTSKRSA-N	442.382	5.099	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)cc1	32916791	RCKPWLSHNSTULZ-DICXZTSXSA-N	432.568	5.450	50	40	IKGB	
O=C(NN=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)c1ccccc1Cl	48508626	LGLDHYSWDSWSDF-UHFFFAOYSA-N	431.750	6.218	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C1c2ccccc2Oc2ccccc21	71335797	JTGFTQCWBWZNCO-JFLMPSFJSA-N	428.875	5.988	50	40	IKGB	
N#CC(C#N)=Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97983180	CDCGYHRKNJOYGW-UHFFFAOYSA-N	429.463	5.926	50	40	IKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc3ccccc3c2)cc1	107563389	HELDEJFDTOGRHK-PKAZHMFMSA-N	439.471	5.020	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccc2ccccc2c1	408548054	CLLDBBVZRXGXJC-IDUWFGFVSA-N	442.696	5.783	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1	408753480	ADYIRRZORUKQKE-JJIBRWJFSA-N	448.522	6.363	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Cl)c1	408794597	IZMMOIRHVOZWCA-CIAFOILYSA-N	427.891	5.645	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12	408848121	PTLZHIYKCQADSN-JCMHNJIXSA-N	439.490	5.152	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1ccc(Cl)cc1	408952203	LHBUQRITRZOQER-YVMONPNESA-N	430.483	5.004	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(Cl)c1	409053192	MBUXWBRLDPGUGB-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	409366100	YAKSBNIHDKFOSY-ZCTHSVRISA-N	445.566	6.098	50	40	IKGB	
O=C(NCCSCc1c(F)cccc1Cl)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl	2577711	NCVIVOSGWPPIEQ-KBXCAEBGSA-N	446.802	5.588	50	40	IKGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(OCc2cccc(Br)c2)cc1	3167516	FWHLEBRHNCMDPQ-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(F)cc1	9292559	RJGHCJWKBXZJLM-JOCHJYFZSA-N	438.462	5.013	50	40	IKGB	
COc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1	16956873	IOQSMWFRHCSNCZ-UHFFFAOYSA-N	438.940	5.157	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)cc1	33509939	VXTCFOGMFFINIH-ONUIUJJFSA-N	432.524	5.038	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1C#N	59432653	UUPJSHPJGCGBTB-YDZHTSKRSA-N	437.499	5.308	50	40	IKGB	
COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1	101389248	UAZLFAXAZVBKLQ-MTDXEUNCSA-N	446.507	5.070	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)c1	260568252	NYAMYIGAYGYPBX-GFIJVFARSA-N	431.580	6.050	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1	408580647	QGRSHYQBEITSCW-FYJGNVAPSA-N	449.934	6.399	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)ccc1Cl	408599545	WCVVHYAZOBGAGU-FOWTUZBSSA-N	449.919	6.310	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2C)cc1	408742986	QYPXSTBHTGRZHV-HYARGMPZSA-N	427.504	5.043	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(-c2ccccc2)cc1	408964992	FGTOTEWKFSTZHS-LQNQUEJISA-N	436.490	5.536	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1C	409178117	KQMYCHYNZXWYEL-FDAWAROLSA-N	445.566	6.152	50	40	IKGB	
C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc2ccccc2c1	15134208	YSNFLVAADQUBOL-WGOQTCKBSA-N	431.333	5.838	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	105587732	NRRGZGKPHYKCNJ-FXBPSFAMSA-N	436.552	5.989	50	40	IKGB	
COc1ccccc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408725385	OKANTRDAPZLZKH-VUTHCHCSSA-N	446.510	5.465	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccc(Cl)cc2)o1	408793920	GQIYBHUSBKKQPO-SDNWHVSQSA-N	429.328	6.592	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)c(Cl)c1	408810177	IKLCDVNPADTVDC-MHWRWJLKSA-N	428.294	6.086	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(O)c4)cc3)cs2)cc1	409031640	HUQHHRMBFONJHB-AFUMVMLFSA-N	428.517	5.332	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409210941	LSXIANOUOPRMNO-ZMOGYAJESA-N	447.412	6.387	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	409222000	ASMHZENGIKDCTF-FUFPDLRRSA-N	445.566	6.546	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	1773170	KCWRCEZEMAIRPY-SFQUDFHCSA-N	437.282	5.758	50	40	IKGB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)cc1	23402369	GYIBLEVCVSDUEO-GHIWRQRASA-N	440.543	6.204	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1C	59297389	KGKZABCRNXQERG-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC	408579894	LEOVNEYQEAPQKW-LICLKQGHSA-N	446.341	5.718	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc2ncccc2c1	408676152	GGQLTTGKXWLKRQ-RDRPBHBLSA-N	437.547	5.006	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408779606	ZIICAUVMPUGUJN-MBTHVWNTSA-N	442.437	5.447	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1ccc(Cl)c(Cl)c1	408886700	LJJAIUJTHRCACV-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	1188256	PCTIRNIOFPUCLD-GZTJUZNOSA-N	440.330	5.955	50	40	IKGB	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	9662307	DRNOFTGILXFOGV-RCCKNPSSSA-N	432.524	5.256	50	40	IKGB	
O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)N/N=C/c1ccco1	57061327	LKWBSDOCWMWFJX-GLYRRZRCSA-N	444.579	5.125	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1Cl	59117656	YPOYCQWFFZQUAR-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)NCc1ccccc1	59224648	NTRFMBVMZFRAAN-FYJGNVAPSA-N	447.332	5.251	50	40	IKGB	
Cn1c(=O)cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21	95682054	TXOMDTBWXFCGPO-UHFFFAOYSA-N	434.479	5.348	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)nc2c1	107842590	HIJVVXDHEWSKJS-UNOMPAQXSA-N	437.572	6.155	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC	108029785	LLWOVPZQFDEJSB-DHDCSXOGSA-N	426.314	5.495	50	40	IKGB	
CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)[C@H](Br)[C@]12C	118932823	WYNYTPSUJSFJAQ-HUTKLZKUSA-N	446.311	7.192	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2C(C)=CC1(C)C	208525036	TULRFFOVFGVCLR-LQKURTRISA-N	427.548	5.640	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3C)cc2-c2cccc3ccccc23)c1	408725016	NOVUWZJLTSQQJN-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccc(Cl)cc1Cl	408725600	MMUDTMIDCQWKSL-BRJLIKDPSA-N	447.318	5.636	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)c1	408786386	JCFLJGMCOXZQSE-MOHJPFBDSA-N	447.538	6.397	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(OC)c2)cc1	408865494	CPEQYAUIUUSHIZ-KGENOOAVSA-N	430.479	5.369	50	40	IKGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409117924	PNHFVZLZHWRZSR-ZXVVBBHZSA-N	431.561	5.270	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1Cl	409393334	QHXZSIJFSOSBRA-GRSHGNNSSA-N	442.317	7.174	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C(C)C)cc1OC	1766744	CDKXWMLVGXVJCX-CJLVFECKSA-N	434.580	6.632	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	2783139	MXZVHXYERIKSSQ-WOJGMQOQSA-N	433.895	5.300	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	4106541	HNTWCYLNXMSIEP-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
CCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	4352796	YIAICWICZYZEBB-YTWDJBGZSA-N	444.575	6.230	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1	9693565	FASJQKWDNPXKEW-HNNXBMFYSA-N	430.360	5.521	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccc(Cl)cc1	27830001	PODQATDDBAWWRH-CPNJWEJPSA-N	429.907	5.468	50	40	IKGB	
C/C(=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2	33475625	GONKCXWOTQCMSR-MYKKPKGFSA-N	429.775	5.734	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc2ccccc2c1	35518965	VSVDHYMWTOBLEC-SFQUDFHCSA-N	443.846	6.207	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc(Br)c1	59410812	GXQBZTHSJHTVAG-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	59418650	QBFZQDCQTMIYOQ-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc2C(C)=CC1(C)C	208523845	ORRWOTXIQPBPQI-RDRPBHBLSA-N	425.576	5.863	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2[C@H](C)CC1(C)C	260567804	MSGQZPXYZHAGNE-CLCAUBNZSA-N	428.580	5.742	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl	408587806	UQTUIOZRZUAELI-ZDLGFXPLSA-N	444.745	7.299	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	408794126	RMXBTNMOEMMKLB-GZTJUZNOSA-N	441.325	5.131	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1C	408804598	YRSCHZSSCYONPW-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	408814013	GSRZZAGSZZEORL-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1C	408867618	JEBBLKLCVKVELX-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c1C	409207479	UWNMRDJPIFTBPN-RGVLZGJSSA-N	447.922	5.008	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1C	409240182	RTNJJXNPCPSIHK-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl	409366535	VQKSLURYOSYYPT-JAIQZWGSSA-N	433.891	6.111	50	40	IKGB	
FC(F)(F)C(Cl)(SSC(Cl)(C(F)(F)F)C(F)(F)F)C(F)(F)F	1772820899	WKJPOKYSZBENCK-UHFFFAOYSA-N	435.082	6.487	50	40	IKGB	
Cc1ccc([C@H](Br)[C@@H](Br)COc2ccc([N+](=O)[O-])cc2)cc1	825929	XPWVDMWHBKPRFC-HOTGVXAUSA-N	429.108	5.182	50	40	IKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1	12411921	BBQAPMHDSMDJFE-UPMCQBDUSA-N	438.358	5.474	50	40	IKGB	
C/C(=N/NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(C2CCCCC2)cc1	33648641	CGUKKLRGYKAHIC-COEJQBHMSA-N	444.550	6.606	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OC	59336433	RMQUPULRELDCGH-GHXNOFRVSA-N	425.699	5.600	50	40	IKGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	103708438	VJBLCXIAHLTMPE-LJQANCHMSA-N	430.957	5.542	50	40	IKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21	208437005	OBEOJBWQTJGBEQ-ROTLSHHCSA-N	432.351	5.154	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C	208515891	KHIMXZUMMVQRPD-LGJNPRDNSA-N	430.379	6.088	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(Cl)cc1Cl	408580718	RFVVNRZNMZVDKR-CPNJWEJPSA-N	448.324	7.929	50	40	IKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)cc1	408583048	RIQQZYLXLJYXNL-RIYZIHGNSA-N	437.131	5.683	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(C)c1	408797549	RUTHFAMHJDKNHJ-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1Cc1ccccc1Cl	408865688	DJZZEVWUDCMEFC-HYARGMPZSA-N	430.935	6.047	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1ccccc1Cl	408867430	MGNBSACVTKFFLE-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)c1	408964212	CAEZDNDABPWRHR-UCQKPKSFSA-N	441.531	5.433	50	40	IKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1	409193326	IXPZXAOALHNKFA-MUFRIFMGSA-N	439.902	5.708	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)c(Br)c1	409222912	YEIRTSZSSYXJGK-CVKSISIWSA-N	447.332	5.864	50	40	IKGB	
O=C(N/N=C/c1ccc(O)cc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	8738193	GFNVXYLNGIDIKC-ZMOGYAJESA-N	434.293	5.067	50	40	IKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCCOc1ccc(C)cc1C	13940218	XCYWJAGHUNYWFH-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
C/C(=N/NC(=O)[C@@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1cccc2ccccc12	15133720	UQBLWXKYMXYZGU-USUHSNIBSA-N	432.567	6.303	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1	59233145	XDHANCAYDZMPBA-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3Br)cc2C(C)=CC1(C)C	208516415	UDTZABCKVQVFBS-AFUMVMLFSA-N	440.385	5.543	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1	209493003	ALFDJDBADCQVAB-HYARGMPZSA-N	444.361	8.098	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2ccc3ccccc3c2)c1OCC(=O)Nc1ccccc1	408550115	DRGGLEQQPGVTLM-ULJHMMPZSA-N	434.495	5.930	50	40	IKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408566528	AIMUSBGBWUPRJU-OBTCNRAFSA-N	444.304	5.715	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)cc1	408795059	UOXXUZKPGIXSQV-NLRVBDNBSA-N	432.523	6.527	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c1C	408795647	LYESIJGJJNTPQG-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1	408813562	QRORQDGYFQYMQH-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1C	408959530	AMXWPLZHHAAUGR-UUYOSTAYSA-N	433.559	5.974	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccccc1Cl	408967054	OZCYFTAZCHDCFD-IPPBACCNSA-N	444.897	5.426	50	40	IKGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1058653	NTXYNQBTCXSDCE-XMMPIXPASA-N	443.547	5.035	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1	1867737	RCGPOAJTYQAMGE-RNTFSAEZSA-N	449.885	6.601	50	40	IKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1	3266749	AMVPGJPRNZWOLS-FCDQGJHFSA-N	426.564	5.923	50	40	IKGB	
Cc1ccc(Sc2oc(-c3ccccc3)nc2C(=O)NNC(=O)c2ccc(C)cc2)cc1	41154317	YPGSQSVGNMWUBS-UHFFFAOYSA-N	443.528	5.184	50	40	IKGB	
Cc1c(Br)c(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccccc1	59104911	ITIKFIBJPOSXKC-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OC	59202028	IHTSSZBESFNJEP-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1	59680263	QPKIROOKWBCSQY-ZMOGYAJESA-N	436.309	5.367	50	40	IKGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(SC#N)cc1[N+](=O)[O-]	100958968	RZRFTTITRRZMKK-PDGQHHTCSA-N	429.461	5.040	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2C(C)=CC1(C)C	208513151	YIPBEAIOHQHXDI-HMAPJEAMSA-N	438.575	5.456	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12	408582241	MMHWJYSICNUNCC-KOEQRZSOSA-N	435.523	6.890	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1	408859020	SBFFQKNQSUVPIM-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2)c1	408897778	TYLCIGAWUVXYMS-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2Br)cc1	408913778	NSDNUVKUBWAVOM-PTNGSMBKSA-N	445.382	5.858	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccc(Cl)cc1	409190912	BHOJCUPBSXIMGM-DHRITJCHSA-N	432.867	5.015	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	409193530	FJWPWLWNUPYSTE-ZUICHYAESA-N	425.319	5.158	50	40	IKGB	
CC[C@H](C)n1cc(/C=N/NC(=O)c2coc3ccc(Br)cc23)c2ccccc21	3770848	BYAYHVXINDXTNE-ZFVWIKOCSA-N	438.325	5.885	50	40	IKGB	
O=C(NC(=O)C(Cl)Cl)O[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21	4983059	JVMDQLVWRZJFOY-CYBMUJFWSA-N	439.509	5.773	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1	10058850	YTSIITVZILMGSF-SXUYVPGXSA-N	430.508	5.850	50	40	IKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)=O)CC3)c3ccccc3n2)cc1	19636736	PIODRDOSUAVFQL-SFHVURJKSA-N	442.563	5.143	50	40	IKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1	19833211	VTQOVOJXGMGPBZ-PKAZHMFMSA-N	448.979	5.371	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	408542328	KSJYPOQYJIMYEU-UNOMPAQXSA-N	439.446	5.073	50	40	IKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl	408729420	ZOURGFFXHGAJGA-ZOCVZFIWSA-N	449.319	5.081	50	40	IKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	408854247	AVUZVIXSNMSDLZ-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1	408875406	IHCIAEUZRBRWAY-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408982944	IZXSKVVCZHNDCO-UYRXBGFRSA-N	447.922	5.388	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1C#N	409055158	WQJJAORIRCGQRC-RWPZCVJISA-N	447.922	5.262	50	40	IKGB	
O=C(c1ccccc1[N+](=O)[O-])[C@H](Br)[C@H](Br)c1ccccc1Cl	1745310	WFMPBHSYBWGRIW-ZIAGYGMSSA-N	447.510	5.331	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	1977679	RHIGHOGFLNSBBH-CPNJWEJPSA-N	435.277	6.000	50	40	IKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@@H]1CC1(c1cccc(C)c1)c1cccc(C)c1	3060905	SLMYSKIBYBSWDA-RLBBTWETSA-N	440.587	5.939	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C	3139182	QZBGZGYFPSRDRZ-OPEKNORGSA-N	431.319	5.708	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)s1	9292103	OTJKIPUCGDNJMN-OAQYLSRUSA-N	440.528	5.244	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C	19798473	QNEPTKZEXBPDLF-XQHLUEDPSA-N	449.119	8.772	50	40	IKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@@H]1c1sccc1C	20348279	CKHLCGZTPANAPD-IBGZPJMESA-N	449.601	5.490	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Br)cc2)o1)c1nc2ccccc2s1	41155227	OBAKIWNINXDCFG-ACCUITESSA-N	439.359	6.867	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC	59201359	XJHMZTVWUTYMFI-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Br)[C@H](C)CC(C)(C)N2C	208212212	XAYZGINBSGFNRR-GMJSKMFWSA-N	428.374	5.243	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	209387352	AUACDMOEEPLYCL-LCYFTJDESA-N	428.231	5.707	50	40	IKGB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)n1	225541265	LZSRQOPGYHOICS-RTBURBONSA-N	445.654	5.540	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1	408740886	DTJWMDXNJUUMDO-RGEXLXHISA-N	433.305	5.574	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	408797498	SDCBNCCDPQAHCU-RCCKNPSSSA-N	444.462	5.127	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c1C	408968642	YDKJCYJGKFDSBV-QFEZKATASA-N	448.617	5.509	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)c1	409257565	TUTLRGRKQFGQKX-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2C)c(C)c1	409264535	KTUKSPLSACDOTJ-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
CCO[P@](=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCCCC1	2067511	AIVPWARKSDFLRL-GDLZYMKVSA-N	430.872	5.251	50	40	IKGB	
O=C(CCBr)Oc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1	2311867	BXEMNOLIJQHJSD-FCQUAONHSA-N	441.752	6.532	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3ccccc3Cl)cc2)cc1	3082057	NMCUOVIQSWJHBB-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2Cl)o1	13943668	AGOWAMZDKYCTKW-JVWAILMASA-N	430.891	5.796	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1cccc2ccccc12	32186339	DMTSSDBZXFXACX-MTJSOVHGSA-N	448.950	5.902	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	408728562	OTUIBXJMEKVMRY-JFLMPSFJSA-N	431.923	5.044	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12	408809947	HTVRBKOWTOSQSS-XQNSMLJCSA-N	449.554	6.169	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408848629	RYNQABVMDAYISR-KBKYJPHKSA-N	428.319	5.348	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408848969	XLPCRMPTRHGZRJ-RPPGKUMJSA-N	428.319	5.348	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2cccc(F)c2)c1	408882662	PYVFBLABAZWGCO-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc(Cl)c(Cl)c1	408892473	BULMZXSAGCDNDF-UVHMKAGCSA-N	438.314	5.818	50	40	IKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2cc3ccccc3oc2=O)cs1	1249299	FQWQXTXTJVTEFI-SDNWHVSQSA-N	437.427	5.494	50	40	IKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1	8934454	DXRNFIVTELFJLN-ZTNFWEORSA-N	435.369	5.315	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	9057502	QCBJRFKVSTZNPR-CPNJWEJPSA-N	431.423	5.167	50	40	IKGB	
Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)cc1	9086184	HBENETXKKTYXBZ-GOSISDBHSA-N	442.466	5.247	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1	9263118	ASTZDBPAUYQAQO-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1	32124731	IVZIRAKIILZJJW-MOSHPQCFSA-N	443.528	6.217	50	40	IKGB	
CCN1CCC(=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1	55082674	NATVXCFOJBWTBC-UHFFFAOYSA-N	428.580	5.401	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3cccc4ccccc34)o2)ccc1Cl	408569243	ZSQOQDPIWWNZKB-WGARJPEWSA-N	432.863	5.304	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)Cn1cnc2ccccc21	408691484	AKIFPDGDFXGTEM-ZDLGFXPLSA-N	434.326	6.529	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc(F)c1	408806750	BRCHVHUYGSNKOD-KYPNECLESA-N	436.527	5.405	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408808810	GCXMBKNROYFWGX-GXDHUFHOSA-N	437.839	5.371	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1C	408866651	HRIUSUIZZOZHOV-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc(F)cc1	408869718	RGBGDTXQJCVXHI-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(=O)O)c1	3236800	DRTKQPHIRJGRLZ-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1	8448433	LRPHDJFLWMTNNT-ZVCNKNMCSA-N	432.514	6.566	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	8781417	AMDBOMFFOQCXGL-LBVPXPLBSA-N	434.971	5.385	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1C#N	59335652	UCOYDMAEMILLKG-XYGWBWBKSA-N	433.511	5.720	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1	209279647	CAAIJLQWLQVKBE-ZHZULCJRSA-N	446.478	5.358	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)nc1	408554612	SFANRKFJGMLJFU-YBFXNURJSA-N	441.560	5.155	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F	408583429	UMYJSVDIBKDLOW-UDWIEESQSA-N	437.898	6.530	50	40	IKGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408753685	BNENULBKOKPRBN-WDZFZDKYSA-N	426.097	5.310	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408780797	KXDLCQOEAIEDIX-QNGOZBTKSA-N	433.393	7.218	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1	408825516	DMOQKTMIWHPUJP-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cc(C)cc(C)c2)c(Cl)c1	408874786	ATIGQGHBOLAPMZ-ZVHZXABRSA-N	428.963	6.656	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408881711	KDHKJHUYUYFFRS-NLRVBDNBSA-N	430.551	6.902	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(OC)c2)cc1	408883699	VNKDGCRWZNJQAV-DEDYPNTBSA-N	432.907	5.494	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	409143994	NSKZBWAFDFGRMM-OAQYLSRUSA-N	441.314	5.387	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1	2326191	DOWCGCOEKVAINV-YDYXIROLSA-N	439.540	5.060	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(F)cc1	8812190	ZEEVBIRYEFNEQY-KKMKTNMSSA-N	440.305	5.899	50	40	IKGB	
N#C/C(=C/Nc1ccc2ncccc2c1)c1nc(-c2ccc(Br)cc2)cs1	31830387	ZYSBAPVQVDUIDH-VBKFSLOCSA-N	433.334	6.097	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1	32109565	CMKJNRRZELBHRO-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	35086508	NEPXCBSMJAKMDG-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)NC1CCCCC1	59437399	IEBXMLXLACQBHD-KAMYIIQDSA-N	431.355	5.549	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C#N)(O[Si](C)(C)C)[C@@]4(C)CC[C@@H]32)C1	195778810	VSNTYDAJMLTELQ-WMTMLEDQSA-N	429.677	5.995	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1Cl	207156408	FUMYDNVSPOXWDZ-GFHXCNCHSA-N	446.934	5.712	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\NC(=O)c5ccncc5)[C@@]4(C)CC[C@H]32)C1	245232171	PXMZBKQJYAKCCM-VHJBZQAKSA-N	449.595	5.062	50	40	IKGB	
O=[N+]([O-])c1ccc(C=NN=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	301054439	MQFUSICKQBQKML-UHFFFAOYSA-N	425.428	5.106	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C	408565796	AOCHGOYLJUOEOG-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Br)o2)cc1	408846531	KJFKTDZMFFAJSY-MYYYXRDXSA-N	448.320	5.572	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)c(C)c1	408905848	FRNVBBUUFKPMGO-OGLMXYFKSA-N	434.511	5.195	50	40	IKGB	
Cc1cccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1	409265859	WIFQHFWYCJANBK-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
CC(C)(C)[Si](C)(C)OCCCCCCCCCCCC=CCCCCCCCO	2362804820	NMQHTONIUNANAG-UHFFFAOYSA-N	426.802	8.798	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OCc1ccccc1	2754556	AKXBRENUGVKPJE-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1C	2769236	IZZVHYCYSBIUPD-ALAMRGAJSA-N	446.554	5.941	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br	2805738	WPDOXNZTVMPYAV-ZMOGYAJESA-N	437.293	5.511	50	40	IKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c2n1	9057799	SKBRDNQDMBOBHN-LFIBNONCSA-N	437.355	6.950	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(NC(=O)Cc3ccccc3)Oc3ccc4ccccc4c32)cc1	13894139	UQZQURIZWTVHFI-HHHXNRCGSA-N	446.506	5.467	50	40	IKGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1	20133356	LTBYNWIHLSKNLI-SECBINFHSA-N	426.561	5.070	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	20764536	XRFNZOSMMPCGDP-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	27532500	FOPNEPOGORSFHU-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	30937332	COVDRCDVTNXPDN-ZMFRSBBQSA-N	445.346	6.080	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1OC	34889052	YSHRXEGWHSPHMK-MKCIMWKDSA-N	425.916	5.081	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	59254863	LJVPTQVVQLCQIA-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	95117495	WBAJEALPTQPWJB-FQEVSTJZSA-N	444.387	6.081	50	40	IKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408787548	BSEKUPASJJYWQS-IZZDOVSWSA-N	426.097	5.310	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	408817318	LGTFHFQLMRZNIV-STZFKDTASA-N	439.490	5.061	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408845637	IBVBOHSNDBGTFB-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1	408875118	DGAUJONQCWOSJV-OQKWZONESA-N	436.486	6.124	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc(Br)cc3)c3ccccc32)c1	409002595	VKKBCSAWDLKIQD-STZFKDTASA-N	427.345	6.825	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccc(Cl)cc1	409192661	DMXXGOFVRWEVKJ-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1O	409359589	PGCGNHMZJSGKGT-QPEQYQDCSA-N	425.653	5.113	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	2670495	PVTDWYYVBABOMC-SFQUDFHCSA-N	432.442	5.829	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1	6193889	MPKODRXVPDAJBN-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
CCCCCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21	8397694	TUIFRAFUOSAGSZ-SIHVKLMXSA-N	439.603	7.243	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	13137729	VAGLZRIKEDICJN-LDADJPATSA-N	433.851	5.264	50	40	IKGB	
Cc1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1	13147952	XZEZDYULTQPBAZ-UHFFFAOYSA-N	430.895	5.330	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1	13590409	VNVRFPXLYOJIOI-ONYJQQODSA-N	426.944	5.204	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)o1	14407528	PHZZXEMMMALUQV-FOKLQQMPSA-N	447.716	5.347	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1	59396389	CMKJNRRZELBHRO-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1C	223167209	WCXJUKBABSMLCY-OCKHKDLRSA-N	438.358	6.563	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408718733	CJEOMUGDAHZTAV-YMSJESRISA-N	431.363	5.849	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C)cc1	408742593	BFPMMKUPVSLRBH-MTJSOVHGSA-N	446.934	6.090	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1	408744870	NUDSTEGMEQFWLP-NDENLUEZSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1	408754308	QCMLBBLUOFQWEB-NDENLUEZSA-N	448.364	6.019	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	409009634	HDNWSNRJYAQTHH-OJNRTJSBSA-N	433.733	5.825	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409016062	BHNZOXCJAWLYEI-OWBHPGMISA-N	426.950	6.107	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3cccc(OC)c3)cc2)cc1	3175163	CAWQTKLOUFXKIK-OVVQPSECSA-N	432.520	5.217	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(N/N=C(\C)c2ccccc2Cl)cc1)c1ccccc1Cl	12569782	BEWJRCAVFKJJFW-JQMRRPHZSA-N	439.346	5.984	50	40	IKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	15659454	KHPXBXBZMBLORW-SDNWHVSQSA-N	439.418	5.912	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1	30738579	FEUKIMKQADTXCQ-NQQNOTTHSA-N	446.572	5.519	50	40	IKGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C3/CCCCc4ccccc43)cc2)n1	33621226	LPEQXNVDWPTNKI-NFFVHWSESA-N	430.577	5.246	50	40	IKGB	
CC(C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1	55079222	LDHMJNHLIPSFFW-UHFFFAOYSA-N	428.580	5.615	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC#N	59336253	LFJABBDTDRJFDJ-GHXNOFRVSA-N	436.682	5.103	50	40	IKGB	
O=C(CCCC[C@@H]1CCSS1)NCC1(Cc2nnc3ccccn23)CCCCC1	96114484	SYAYBWVUXXUWTG-GOSISDBHSA-N	432.659	5.053	50	40	IKGB	biogenic
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2s1	108114933	HQYBWGNSALFGIE-GXDHUFHOSA-N	439.905	6.775	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408734794	JWXLDCBCEQSHCW-DEDYPNTBSA-N	432.907	5.863	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	408767032	UZFYNNHTRVXTPC-RGEXLXHISA-N	445.906	5.212	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc2ccccc12	408778863	MSFSEYGLAMYPRZ-NDENLUEZSA-N	449.348	5.613	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1Cl	408793207	DHMACTYWBYUDIQ-CJLVFECKSA-N	438.914	6.618	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	408870510	FYZLEVKTAZDWHL-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)c1C	408871436	GLTVMXHXFPGGMW-CIAFOILYSA-N	435.354	6.747	50	40	IKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1	408894446	ICSPCYJBMBBGFA-LDADJPATSA-N	432.863	5.113	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	408984842	SYWXZHSRTMATSA-HAHDFKILSA-N	442.946	6.502	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1O	409041013	IXUSEGZRGNADKZ-QRQIAZFYSA-N	437.499	5.108	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)cc2c1	409185283	VVVHRXATIVTLTH-DICXZTSXSA-N	429.520	5.620	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)cc2c1	409187354	PIKOYWRBBCJVCX-DICXZTSXSA-N	448.906	5.828	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1	409210150	IHCFEXFKWOEIFZ-AFUMVMLFSA-N	441.000	5.056	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)ccc1Cl	409211095	KRIGUPMMKTYBDJ-LDADJPATSA-N	448.906	5.939	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1	409380727	CCEBEYCOEINHIA-GRSHGNNSSA-N	440.330	5.668	50	40	IKGB	
N#C/C(=C/c1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1)c1nc2ccccc2s1	13476065	BHPJTTOEHUZSKA-LRVMPXQBSA-N	446.560	7.034	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1O	13648310	FVGJFHDHCUSWLC-CHHVJCJISA-N	441.350	5.968	50	40	IKGB	
C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(NC(=O)C2CCCCC2)cc1	17096535	MUNFDZUWEODRFX-QRQIAZFYSA-N	429.520	5.218	50	40	IKGB	
C/C(=N\NC(=O)c1cccc(C)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	19631230	NJMJCFYBRIUFCM-JFLMPSFJSA-N	440.330	5.708	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	33926717	CVPKNQZWRAGVAP-AUWJEWJLSA-N	425.296	6.287	50	40	IKGB	
Cc1cc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(C)o1	102455876	JNAZEDQXVWGPGI-XLVZBRSZSA-N	449.510	5.167	50	40	IKGB	
COC1=C(C#N)C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1	118925196	QNZIBMSGZZXNKE-UNRXDZMPSA-N	425.701	8.142	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc21	223477485	CGGOPEMGRWVTSR-RDRPBHBLSA-N	425.576	5.943	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl	408540394	REUUKEMFOYCOTH-LDADJPATSA-N	431.363	6.807	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cc(Cl)ccc1Cl	408567412	DOZNUTPBFIIAJV-NVNXTCNLSA-N	425.294	6.481	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408570241	SXQUUZJTTOCIOA-WQRHYEAKSA-N	436.446	5.467	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccccc2Cl)c2ccccc2n1Cc1ccccc1Cl	408586449	CDCXKRJQOROQCQ-MZJWZYIUSA-N	436.342	6.069	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1Cl	408599192	PTCHVJRLYPWNKR-VULFUBBASA-N	446.894	5.324	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408735290	PTUHVXBZVBNBSO-NTEUORMPSA-N	442.258	6.016	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1	408876076	JEAVPTFGMJYGSY-XSFVSMFZSA-N	434.898	6.014	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(F)c1	408964753	DTBFKMFBQQXUMN-KKMKTNMSSA-N	442.277	5.347	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408966026	YRIFIHLLVZTPRZ-WKULSOCRSA-N	441.497	6.174	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccccc1	408972225	NVCPHIQOYACVMA-JVWAILMASA-N	444.487	5.183	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1C#N	408988468	IASMQPBJCLKJCM-BKUYFWCQSA-N	427.891	5.645	50	40	IKGB	
O=C(c1ccccc1)[C@@H](Br)CCC[C@H](Br)C(=O)c1ccccc1	1641191	GOIXPFUGOIGQHG-IRXDYDNUSA-N	438.159	5.450	50	40	IKGB	
CC(C)(C)C1=CC(=NNC(=O)c2cccc(Nc3ccccc3)c2)C=C(C(C)(C)C)C1=O	6238681	YQCXLZTUPQYDMU-UHFFFAOYSA-N	429.564	6.044	50	40	IKGB	
Cn1c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1-c1ccc(Br)cc1	28357736	CGMKVHOBJQERIQ-QGOAFFKASA-N	446.373	6.642	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12	34853332	IXBGXNACFJAKBO-STBIYBPSSA-N	432.483	5.223	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc2ccccc12	59255030	NVINSPYWLKKKLM-CJLVFECKSA-N	438.914	6.618	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc2ccccc2c1	408552357	RXVWLXOLMUCGOI-ULJHMMPZSA-N	427.507	6.497	50	40	IKGB	
COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408725012	NOMANAOJTZOFKW-VUTHCHCSSA-N	446.510	5.465	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc(F)c1	408741746	RVCRVJFWQHIVTK-BRJLIKDPSA-N	445.263	5.070	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408777033	UTNBQXUSEZOIIM-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
Cc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-]	408855509	DSZQXUMSUOCLCA-PKAZHMFMSA-N	438.487	5.433	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc2ccccc12	408965154	UEIPMJXIJWGBMY-WKULSOCRSA-N	435.449	6.030	50	40	IKGB	
CCOc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1cccc2ccccc12	409020331	OALKCGHBSKTRFX-ZMOGYAJESA-N	441.325	5.050	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NCCCc1ccccc1	409230547	ZFZKTCFYHDAFNC-UQQQWYQISA-N	444.538	5.217	50	40	IKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	409251794	WGVXFTJKDLUCGQ-DHDCSXOGSA-N	440.377	5.518	50	40	IKGB	
COc1cc(Cl)c(/C=C(\C#N)c2ccc(I)cc2)cc1OC	409368949	UIEOFZXTIOANEW-NTUHNPAUSA-N	425.653	5.026	50	40	IKGB	
Cc1ccc2c(c1)Sc1ccc3ccccc3c1N2CCN(CCCl)CCCl	1697170	BZJXRVMJPMKFHY-UHFFFAOYSA-N	431.432	6.531	50	40	IKGB	
Cc1cc(C)cc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1	2287307	YMHAKZHISOCJCJ-WJDWOHSUSA-N	444.472	5.418	50	40	IKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c2)cc1	3232328	BDQWRVGIPIWNOW-KGENOOAVSA-N	426.472	5.077	50	40	IKGB	
N#C/C(=C/c1cc2ccccc2nc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	13766309	KKTVXILYCOTRIB-ZSOIEALJSA-N	442.758	7.383	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1	20764970	DMFQWUHCULEDLO-STBIYBPSSA-N	442.490	5.721	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)c(C(C)C)c1	33690718	YJWZZISMRIIXCG-YVEQDNQKSA-N	428.532	5.542	50	40	IKGB	
Cc1cc(N2CCCCC2)ccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	34746676	FAQJMKFUWPIZLD-XMHGGMMESA-N	430.577	5.343	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	59245290	XMWJVUNZUWOYFX-LDADJPATSA-N	440.434	5.283	50	40	IKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1	110926399	VNVRFPXLYOJIOI-UEMXZTHTSA-N	426.944	5.204	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408570503	WBFCUUJXTMPKKX-YBEGLDIGSA-N	438.289	6.652	50	40	IKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	408579232	DYYPBEFRSIHQTE-CXUHLZMHSA-N	433.143	6.149	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)c1	408789334	OWPYGQZKAZRPPG-CIAFOILYSA-N	427.891	5.645	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)c1	408806892	CCBSAXGXVNBKQD-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Cc2cccc(F)c2)c1	408871232	YYBFPDBBGRKSGO-UDWIEESQSA-N	434.898	5.933	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408996454	PCONUGCBZNIMJM-JFLMPSFJSA-N	431.467	5.169	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1	409051502	DMUNRKJCMKHKBG-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409065295	HKDSXZOXKXJVMD-XQNSMLJCSA-N	445.540	5.564	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)cc1	409184273	JYLJVHHFXFEERN-DHRITJCHSA-N	430.335	5.564	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(c1ccccc1)c1ccccc1	409392012	MUUJQIAYMNQEQM-OCSSWDANSA-N	448.444	6.248	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc2c(c1)OCO2	1003348	BUKVWRXUYPBHBM-CVKSISIWSA-N	429.501	5.154	50	40	IKGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1	1887953	ZGMONEWJSDMIGU-YDYXIROLSA-N	439.540	5.060	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCc1ccccc1	33623636	GADSIBGUNJGTAN-JAIQZWGSSA-N	443.934	6.485	50	40	IKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)c1	34807751	QVNMQIHOABDPSK-AFUMVMLFSA-N	445.500	5.461	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1	59291966	WKXKYMGOEHWELP-RCCKNPSSSA-N	439.946	6.451	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	59447401	JITRMPIFWJHKGR-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(Br)c1	59515276	KRTQHSNXVQOYMO-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1	408582674	OTWXXZZWPDNAKS-VCHYOVAHSA-N	428.290	6.784	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408793678	PXFVUWLZVBHQEG-XMHGGMMESA-N	441.918	5.897	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl	408799301	YUDLHOHWIVRSMW-XQNSMLJCSA-N	438.914	6.618	50	40	IKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408873300	SKMBUEVYXUCZDG-LFYBBSHMSA-N	440.124	5.700	50	40	IKGB	
Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c(C)c1	408967903	SQGFZEODGWTPRZ-XODNFHPESA-N	427.470	5.802	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2o1	409073322	MHIVOMVYKSSBLT-WOJGMQOQSA-N	430.847	5.823	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1	409075291	QMRJAVIBKAQZNT-LFVJCYFKSA-N	429.947	7.110	50	40	IKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409192996	HSYPCYJGPZJQRB-VTGBELTLSA-N	439.737	5.052	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl	1453302	FDHHNNFTABDTNW-MDWZMJQESA-N	431.706	6.761	50	40	IKGB	
C[C@@]12C(C#N)=C(c3ccccc3)C=C(c3ccccc3)C1=C(c1ccccc1)c1ccccc12	5158800	XTNILCNQOGYDCC-MGBGTMOVSA-N	433.554	7.834	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)cc1C	6280481	WLTUSJREZQARPM-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc2ccccc2c1	6645930	SLAWUYXCJLCJKX-ZTKZIYFRSA-N	430.592	6.473	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(Br)c1	9190141	VRTAYCZVBJYKKW-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1ccc(Sc2oc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2Br)cc1	12362981	XNZIRWLQLAKHNR-UVTDQMKNSA-N	436.334	6.442	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	15223722	UEJCZVXVNYHFCO-KAMYIIQDSA-N	437.839	5.453	50	40	IKGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240621	GINMOFQQSOZQOP-VUTHCHCSSA-N	429.539	5.044	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1	32099646	LIKJVJFDPXIOQQ-XDHOZWIPSA-N	446.959	6.992	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	59117087	IFOBICNMRPNXCR-RIYZIHGNSA-N	449.732	5.446	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1	59291890	FMZYGXYNJOLWKJ-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1Cl	59335637	GUPJHZCXHYZBMU-KQWNVCNZSA-N	442.946	6.502	50	40	IKGB	
C/C=C1\[C@@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(C(F)(F)F)cc1	100225599	LWAINBSECASKDV-RZTFRGLUSA-N	443.313	5.870	50	40	IKGB	
Cc1cc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)c(C)cc1Cl	100295731	UQFWYIQBXGFENR-LLUDDFSJSA-N	436.846	6.085	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](Cl)CC[C@@]43C)[C@@H]1CC[C@@H]2N(CCCl)CCCl	118926424	WSFHWKVFVZZVNI-KVWWBZGASA-N	432.907	6.705	50	40	IKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c1	408746381	YTSGLXWGWRIDRN-XKZIYDEJSA-N	427.504	5.043	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2c(C)ccc3ccccc23)c1	408819206	XBOZEPUYPBVHLF-XQNSMLJCSA-N	448.522	6.282	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409068629	HKPGUYSEBXRXHG-HZHRSRAPSA-N	426.472	5.975	50	40	IKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)c3ccccc3n2)cc1	2109612	ABFUHELYEVOWTF-DCMOEJRUSA-N	427.573	6.549	50	40	IKGB	
CC(C)c1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(C(C)C)cc2)cc1	4706445	HNTBJTHPWNTBQD-UHFFFAOYSA-N	434.584	5.094	50	40	IKGB	
CC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1c(C)cc(Br)cc1C	9720518	VUKQKNCLRMXYKP-QDZKPDGCSA-N	427.342	5.206	50	40	IKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CCC(=O)Nc1cccc2ccccc12	15930900	NCSWDZUXLJNPKJ-UQEJHQNASA-N	427.548	5.887	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1	28216459	JUQFTFQSPQFPGO-VBYICHLGSA-N	425.985	5.687	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	59535886	UGSZOHTUXLVOGB-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	95483895	JIUJBHPEVAOFJS-NRFANRHFSA-N	440.565	5.287	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NCCc1c[nH]c3ccccc13)[C@H](C)CC(C)(C)N2C	208224471	GIRDUGUOERYMDM-UUMRFZBWSA-N	440.591	5.464	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1cccc2ccccc12	408541162	FBZXRKAQHYOQCQ-HMAPJEAMSA-N	435.483	5.491	50	40	IKGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(Oc2ccccc2)c1	408760549	APGGVKWCNHDUOG-RDRPBHBLSA-N	447.494	5.097	50	40	IKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1	408766491	UUOHKHVXVKNVPL-CPNJWEJPSA-N	445.444	6.363	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(-c2ccccc2)n1-c1ccccc1	408768267	VNSLUCALPNZMGO-KQWNVCNZSA-N	439.356	7.279	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1ccccc1Cl	408884540	YFXUKRNXZVRGDL-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1	408988440	QVSNPYYXSRKISR-JAIQZWGSSA-N	447.922	5.388	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409029617	BBLSALUDIRPRAY-DHRITJCHSA-N	448.935	5.677	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)cc2c1	409187101	MBRJYSBCOZDCPQ-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)ccc1Cl	409209293	FHEQMGKHWMFUGO-LDADJPATSA-N	448.906	5.939	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1	409377819	LCSBUHVQXKSZOF-GIJQJNRQSA-N	426.303	5.633	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	1452496	LMXYERUNYZFSLD-MQMHFVAESA-N	432.527	5.632	50	40	IKGB	
CCOP(=O)(OCC)[C@@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1	1717456	HVFUJLPVLHMHSH-QHCPKHFHSA-N	428.405	5.965	50	40	IKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)sc2c1CCCC2	2331723	YSSVCRDHVUUWOB-DTQAZKPQSA-N	447.560	5.611	50	40	IKGB	
Cc1cc(SCC(=O)N/N=C/c2cccc3ccccc23)c(C)cc1Br	3235819	KTUXLBBSLKIBSX-FSJBWODESA-N	427.367	5.462	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2C)cc1	5574796	RCDSJZRWHBTWAQ-FSJBWODESA-N	426.560	6.017	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc([N+](=O)[O-])cc1	9234378	DUSMFZJRWHUARM-XSFVSMFZSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c1	33646718	JDAMRUWFZVLDLY-AQTBWJFISA-N	426.451	5.092	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12	33658142	BKXIXGPMRYDRPT-UCQKPKSFSA-N	436.467	6.400	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1C	59248604	VPGWDCBIMONOBW-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3	118936452	VXOZCESVZIRHCJ-ASHKMTMBSA-N	428.657	6.474	50	40	IKGB	in-man
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccccc1Cl	408736935	DRSOQHFMSZTQAC-JVWAILMASA-N	436.939	5.319	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1	408869419	DEACPLWGHDHQDO-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Cl)cc1Cl	408874714	FQSVWTYNBKYWLI-MRUKODCESA-N	427.209	6.036	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccccc2)c2ccccc12	408990248	WLYOBYBXNZJRIS-QNGOZBTKSA-N	439.946	6.506	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Br)c1	409195668	UYWVCLGPWZOYOL-UNOMPAQXSA-N	439.353	5.302	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3SC(F)(F)F)n2)cc1	2307664	PVEXWQMYEYUSIY-SDNWHVSQSA-N	433.480	6.407	50	40	IKGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	3659781	KDDFNTIXYFNPHV-JFLMPSFJSA-N	449.938	5.131	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1nc2ccccc2s1	8997642	VGIWZPPJXSMNER-FMIVXFBMSA-N	440.311	6.409	50	40	IKGB	
COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(/C)c2cccc3ccccc23)[nH]n1	9461939	QZAMYSUOOLNRGZ-QRQIAZFYSA-N	434.499	5.546	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1nc2ccccc2s1	12556011	KRJPAYBVFXQHER-QGOAFFKASA-N	447.357	6.702	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2)c1ccccn1	49573550	FFCFGFXEYTYVGF-JCMHNJIXSA-N	434.499	5.219	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl	107878330	JTEGYKJCFJIKAI-YVLHZVERSA-N	428.290	6.784	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	223175529	NAPMDMKCNSDBCX-HMAPJEAMSA-N	427.504	5.043	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1nc2ccc(F)cc2[nH]1	408567992	RHNADTPDIYNUPC-SXGWCWSVSA-N	438.289	6.652	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(C)c1	408911600	KINFUSAGWGAHGA-LQKURTRISA-N	446.547	5.119	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C	408915501	WMQBXFCYRNEOMU-UNOMPAQXSA-N	433.895	5.300	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1	409265185	STEVEPSDKSZAMA-QGOAFFKASA-N	433.851	5.330	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(Cc2ccccc2F)c2ccccc12	818716	ZWGSOZLVUCTFNB-DEOSSOPVSA-N	441.506	5.280	50	40	IKGB	
CSc1ccc(/C=N/NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1	2632551	WFLBZUJATHWDQH-WPWMEQJKSA-N	426.541	5.905	50	40	IKGB	
C/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1	13960294	MBIYYHLCETUWPI-WGARJPEWSA-N	442.991	5.507	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCCSc2ccc(C)cc2)cc1	16157715	MSGBFUSUMQFSIB-OQKWZONESA-N	428.557	6.020	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccccc2F)cc1Br	33616273	ZTYSAVFCBVXXRF-MDWZMJQESA-N	437.106	5.980	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c1	44950360	PFVFKDYEAVHICC-RPPGKUMJSA-N	428.891	5.700	50	40	IKGB	
COc1ccc([C@@H]2[C@@H]3CCC/C(=C\c4ccc5ccccc5c4)C3=NN2C(=O)CCl)cc1	51330557	YMPWDTWLFDTFJD-XHECFTIZSA-N	444.962	6.210	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1	59334100	FYUPAGPIQMCSJQ-ACAGNQJTSA-N	444.145	5.874	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	223502142	RDMWAJWTOJFRPH-UVHMKAGCSA-N	444.406	6.476	50	40	IKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408822748	BWNRDWYLQNUSPN-LTGZKZEYSA-N	442.902	5.477	50	40	IKGB	
Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccccc3Cl)cc2Br)cc1	408911648	AWTTXJRZQJGZKO-SSDVNMTOSA-N	449.757	5.919	50	40	IKGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccco1	409223089	GIBKXSWFRYJUON-RMORIDSASA-N	437.666	5.223	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1	409223290	GTZAVEZQTYWETA-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1C#N	409229769	UVKMETVNYOAWIM-HBAFHOPNSA-N	444.538	5.654	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc2ccccc12	409324968	VQTYGIJDRSPJHY-STZFKDTASA-N	430.334	7.790	50	40	IKGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl	409335850	PIOBSSXGVPQMFK-CFRMEGHHSA-N	439.339	5.344	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F	867444	YLVFIHFAENZBSW-DHZHZOJOSA-N	446.221	5.846	50	40	IKGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1cccs1	872787	OMKFSUPSMYCYHG-XDJHFCHBSA-N	427.529	5.005	50	40	IKGB	aggregator
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	2311145	ZACJNULGMWOYKF-OAQYLSRUSA-N	433.577	5.083	50	40	IKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	33759596	QSNJVDKEKVHJJS-SLVCOGOPSA-N	440.341	5.884	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(c1ccccc1)c1ccccc1	59410630	DYBOIKDIODRQSX-YZSQISJMSA-N	425.444	5.137	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NCc1cccs1	59534447	CWOOPWBWEASOLZ-PXLXIMEGSA-N	447.563	6.128	50	40	IKGB	
CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528183	GIJUSNGHBWBHRH-JTQLQIEISA-N	436.193	6.764	50	40	IKGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)F	103528812	MYYJMGGFQXAHTA-UWTATZPHSA-N	441.981	5.211	50	40	IKGB	
CCOC(=O)C1(P(=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCCC1	103581163	SLIVCCAXNIUBNC-UHFFFAOYSA-N	425.292	5.573	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21	208191554	CONKDBPNNGYPLA-HAKPAVFJSA-N	438.369	5.717	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1cccc2ccccc12	408726185	QYJGLTPHEGDQJK-STBIYBPSSA-N	439.515	5.164	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OC	408764076	IIDFJJZTZPJOSN-BOPFTXTBSA-N	441.325	5.131	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791657	AIFFDELKWLSLDO-OEAKJJBVSA-N	449.466	5.873	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	409010836	LUIXGECCOYXYDV-STBIYBPSSA-N	445.607	6.159	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2ccccc2)cc1	409043625	SHXPHDHUIUEWLE-WOJGMQOQSA-N	444.339	6.134	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409214572	YGPPSLZAPJABKG-RMORIDSASA-N	449.315	5.194	50	40	IKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	1905818	BEIPENRXGMFLKQ-LDADJPATSA-N	437.952	5.722	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1O	2090197	DWVIJNCBSGCROL-VULFUBBASA-N	431.879	5.033	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(C)C	2317497	QMGSXFJENFBKFF-OGLMXYFKSA-N	439.515	5.462	50	40	IKGB	
O=C(N/N=C/c1c(F)cccc1F)c1ccc(COc2ccccc2-c2ccccc2)cc1	3253082	DWIAPADZURVBGI-OCSSWDANSA-N	442.465	5.975	50	40	IKGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C5CCCCC5)cc4)c32)ccc1O	6239347	GHGDRKDXEOVITH-JOCHJYFZSA-N	442.519	5.057	50	40	IKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C1	8442016	ZWWHJEAUDGIKPW-ZAAXVRCTSA-N	440.469	5.451	50	40	IKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	18194842	ITBJEVINFXTGOB-KBKYJPHKSA-N	436.817	5.456	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	20348661	RMPJDKYKYDCTHC-JOCHJYFZSA-N	449.963	5.141	50	40	IKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	23411046	FNXGAIZHZJFCIM-LGJNPRDNSA-N	445.346	6.080	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC	33380403	IATLBZYTCMXOKA-SXGWCWSVSA-N	429.270	5.385	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(F)c1	33590917	LTVABLIPCMLAOU-WOJGMQOQSA-N	444.535	5.591	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1F	59201289	IOACTKJZLMJMAS-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	59410803	GPWDGEUWRFTIQJ-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	105237448	WQBJCDKUYMQNJC-AWNIVKPZSA-N	449.146	5.341	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(F)cc1	408580295	NZKIYTJTJMEQQW-FYJGNVAPSA-N	433.479	5.885	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)Cn1cnc2ccccc21	408691744	OPNHUFGHUMOTEX-NDENLUEZSA-N	444.332	5.985	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)cc1	408788615	DWQBNZNFGJAANX-ZHZULCJRSA-N	447.922	5.470	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(F)c(Cl)c1	408818262	XHQJHPOBDWAJHH-MFOYZWKCSA-N	429.720	6.713	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC	409230132	BUGQJYVXZRMBRS-GZQZNAIASA-N	443.341	5.031	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	409351787	WSCDYLKBAAZGBX-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1	636938	DNCUVKKHUHKPEZ-OPEKNORGSA-N	434.298	5.069	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccccc1F	1439495	KIBIKTAUMKGMSF-HMMYKYKNSA-N	436.442	5.744	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1	12447017	HRBIXNUEZWFCDL-FOKLQQMPSA-N	447.716	5.200	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1	32186298	VYPPEEAMPVNZHQ-STZFKDTASA-N	449.348	6.098	50	40	IKGB	
CC[C@H](C)n1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	33605972	JRANLLZJQRQWMH-PUMVZNGMSA-N	438.325	5.885	50	40	IKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(CC)CC3)c3ccccc3n2)cc1	55082700	QAGXROCXBHJBFS-IBGZPJMESA-N	428.580	5.617	50	40	IKGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(Oc3ccccc3)cc2Cl)cc1	80345425	QWRDEFAIUKKFCQ-FYJGNVAPSA-N	425.893	5.479	50	40	IKGB	
COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F	113225254	KGXUEPOHGFWQKF-ZCXUNETKSA-N	426.460	5.891	50	40	IKGB	in-vitro
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1cccc2ccccc12	408588605	JCXDOPWOEJGAQW-NDZAJKAJSA-N	431.539	6.093	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796414	OCQFNHVCXBQWQD-NTEUORMPSA-N	427.243	5.497	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)c1	408843094	DEWFOKIAUUOUEF-OEAKJJBVSA-N	444.962	6.698	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1ccccc1Cl	408870908	XFCXBTRUNKDHPI-OEAKJJBVSA-N	444.962	6.492	50	40	IKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc(Cl)c1	408880849	JBKKLCOGAREMDF-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccccc1Cl	408881423	NAQGHDFABWRVTR-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(C)cc(C)c1	408889362	CZCTXTYGXDIFNA-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Cl)cc1	408923574	JPWUOJQIONTFIO-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4C#N)c(O)c3)[nH]c2c1	408988194	REPAUVYDAGZXSF-RQZCQDPDSA-N	437.415	5.213	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1	800311	QJGBGGXLHMAUBK-IBGZPJMESA-N	428.410	5.416	50	40	IKGB	
O=C(N/N=C/c1cccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	3089786	IBWKRJAZBFPCEU-JVWAILMASA-N	427.891	5.509	50	40	IKGB	
O=C(CCSSCCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl	3116777	VMLWNDGTOZGOKO-UHFFFAOYSA-N	429.394	5.732	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCCCOc1ccccc1Cl)c1ccccc1	13897595	FIBKVAXTTBCSRC-WGOQTCKBSA-N	443.330	5.605	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	33479742	CNVHEMNMJFIMCP-MXAYSNPKSA-N	432.867	5.015	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c1	59201047	ABWNFQFNKSZLCO-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1	107780002	AJFPXUFPBPYXAH-WSDLNYQXSA-N	437.502	5.626	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21	208240858	SGKVJFSKJSSKQE-SLVCOGOPSA-N	428.363	6.261	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c1	408745155	KIVZWLFEQYPFMR-HAHDFKILSA-N	427.548	6.162	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	408754343	QIRUGGMAEMKVEQ-HAVVHWLPSA-N	434.495	5.973	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	408820031	URYVOEFVVDIOCO-GDNBJRDFSA-N	427.287	5.485	50	40	IKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408832191	ROCQXQXWEIZEII-RCCKNPSSSA-N	446.934	6.252	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1ccccc1F	408864931	APBKQMYASVAJSG-RGVLZGJSSA-N	448.925	6.241	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c([N+](=O)[O-])c1	408923781	JWIVGKVIDJHKRJ-WOJGMQOQSA-N	434.883	5.510	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)NC1CCCCC1	409208200	AFSCVHHEUCAZFS-ULJHMMPZSA-N	433.555	6.199	50	40	IKGB	
N#CCCN(C(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1	2291565	WQCXGVMYLOGMPB-OBGWFSINSA-N	435.405	5.819	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	3146034	MGMICKCDMGRYHD-STBIYBPSSA-N	446.591	6.091	50	40	IKGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CC[C@H](C)C2	3396424	NOVBEOZOUVHVFE-ZFILKEQLSA-N	447.391	5.438	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1	8427002	VENJFXDQHSRVSL-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1c(F)cccc1Cl	9693321	PMHWXYFJNSYHAU-CQSZACIVSA-N	434.323	5.352	50	40	IKGB	
FC(F)(F)/C(=N/Nc1ccccc1)SS/C(=N\Nc1ccccc1)C(F)(F)F	17352624	CEQMAWQVGGCLCK-WFBNZKAHSA-N	438.422	6.344	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Br)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	118931358	USMVITRIRORNNZ-XKMUXQCMSA-N	437.418	5.460	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c1C	408568988	LTDPNKIPJYEBKU-WQRHYEAKSA-N	428.467	5.269	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC	408580766	DUOAHGUMJLOTFX-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408600208	WZMIEANRGSQURK-MZJWZYIUSA-N	442.390	6.462	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	408725942	OEYAUMDTCZAFRZ-BOPFTXTBSA-N	443.341	5.491	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408743629	BOKGKIPNOWCHDV-MHWRWJLKSA-N	444.749	6.600	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1	408745124	PPDKCNYWNYIXON-MOSHPQCFSA-N	444.491	5.255	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1	408761057	HBPGIJNJJAGWGI-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccccc2)o1	408999322	URWIQBPHCRHSBL-PTNGSMBKSA-N	439.334	6.047	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3cccc(Br)c3)c3ccccc32)c1	409001007	OJISICXWYJEWMZ-BKUYFWCQSA-N	427.345	6.825	50	40	IKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409130147	WDXPJEREXWXGSN-WRGIWNTCSA-N	431.561	5.268	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1C#N	409229770	UVKMETVNYOAWIM-WYRWUVFZSA-N	444.538	5.654	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OCC)c2)cc1OC	409325810	BHESJRNUTPFJSO-MYYYXRDXSA-N	448.947	5.089	50	40	IKGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1	1097349	WRCXKMOHLQFAMJ-WYMPLXKRSA-N	434.249	5.091	50	40	IKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1OC	2078234	DHOAJMOKESORGN-JVWAILMASA-N	440.584	5.087	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)c(C)c1	2311048	AKKCDIVXAVHFDV-FQEVSTJZSA-N	433.577	5.137	50	40	IKGB	
COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)c1cccc(CCl)c1	2574918	VETPEOWHBJNQLN-UHFFFAOYSA-N	436.316	5.972	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)cc1	20197838	BYYVZDLMZVSCRW-LQKURTRISA-N	447.922	5.343	50	40	IKGB	
CC1(C)CC2=NC(SCC(=O)Nc3ccccc3)=C(C#N)C3(CCCCC3)C2=C(O)C1	96901140	UHOKJHNVZOEXIU-UHFFFAOYSA-N	435.593	6.131	50	40	IKGB	
CCCCCCCCCCC[C@H](Br)[C@H](Br)CCCCC(=O)O	100302755	SWFMDFRDYDMKQK-DLBZAZTESA-N	442.276	7.079	50	40	IKGB	
CCO[Si](CCCCCCCCCCCI)(OCC)OCC	198066004	HJYWEFXINYLVPO-UHFFFAOYSA-N	444.470	5.981	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1	408544554	WZZSYELHRACKNU-MTJSOVHGSA-N	433.891	6.080	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1O	408765733	ZSIDWFRWLBYDDV-RQZCQDPDSA-N	437.293	5.252	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1	408792013	GOZNZYXKWDSCND-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408799540	ZTRQNOPBOQQDIU-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(F)cc1	408807018	NWTBGVHOUASQHF-IOQNOCSLSA-N	436.527	5.405	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1ccccc1F	408820377	XLIQNYIUASYFEK-LCYFTJDESA-N	445.675	6.047	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408868724	AZBIPKFXFAYRGG-RGVLZGJSSA-N	446.934	5.808	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1	408912714	RSHAPPCUTYBSTE-XKZIYDEJSA-N	427.504	5.263	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c1	409048480	WVEYTTIXVIWUBV-CVKSISIWSA-N	442.544	5.635	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1	409194529	MVAOQZFUKLXUOG-WSFYNJOLSA-N	438.575	5.899	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1	409236957	HEQSEIXMSNPOFY-MOSHPQCFSA-N	437.465	6.221	50	40	IKGB	
CCc1c/c(=N\NC(=O)Nc2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	11865537	RVZSILUBHMNDCQ-ZZIIXHQDSA-N	431.536	5.661	50	40	IKGB	
CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	13774117	YWQDNNXZEJQALP-WJDWOHSUSA-N	429.372	7.360	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(Br)c3)[nH]c2c1	34880975	ZLMKEYHNFMMBPR-UNOMPAQXSA-N	444.332	6.277	50	40	IKGB	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C1(CBr)OCCO1	118914683	PXLRPEYMUKKRQS-KGIOUCCPSA-N	441.450	5.144	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(CC)cc3)o2)ccc1Cl	252495532	OSTAFBHTMQJDQZ-QGOAFFKASA-N	448.906	5.885	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1nc2ccc(F)cc2[nH]1	408566473	GSMRLLAIYWBQDT-ZROIWOOFSA-N	445.366	5.375	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C	408592620	ZTXXTYKPBHUVFD-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1I	408752186	GGMAJMKIDJNREW-XFFZJAGNSA-N	443.071	5.144	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1	408806922	CEAXNUGHQUNMMT-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3CC)c2C)c1	408967606	RFSDLTWCJHMUJF-HAHDFKILSA-N	441.531	5.379	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1Cl	409312841	MUYUQIDRSWAPBW-JCMHNJIXSA-N	425.915	7.145	50	40	IKGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1cccc(Cl)c1	1084216026	NFBYFMTZYQJASI-UHFFFAOYSA-N	430.898	5.875	50	40	IKGB	
O=C(NCSSCNC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1	3073636	NFINQMYTOGHHQS-UHFFFAOYSA-N	431.370	5.233	50	40	IKGB	
CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1	8783228	LEGFQNKPAFSAES-IRRJJEPHSA-N	432.514	6.566	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc2ccccc2c1	8860734	JSRPBEASECTQGU-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	9693291	RCMKIMBWAQGJRF-SFHVURJKSA-N	427.982	5.281	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	33580209	QKEYZBBLFMGHJT-HMAPJEAMSA-N	448.317	5.080	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	59201090	PRECJMAZUQBCKC-BOPFTXTBSA-N	443.341	5.355	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Cl)c(Cl)c1	59233034	HWXHJUSHIOUUBP-CXUHLZMHSA-N	431.319	5.157	50	40	IKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)Nc1cccc(Cl)c1	107559584	NPIXRKPPXATXDV-BOPFTXTBSA-N	449.869	5.042	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc4ccccc34)cc21	208250001	MNSJYHIFWVAVSD-FOCLHDTISA-N	449.982	5.744	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2[C@@H](C)CC1(C)C	223586731	PRDYGBDIGDYJAU-WBBAFLOHSA-N	431.502	5.890	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2)cc1	408579591	IHLHPMJTJDVQAW-SFQUDFHCSA-N	444.339	6.134	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3O)cc2-c2ccc3ccccc3c2)cc1	408725476	PVFSCHPWILRDLR-RDRPBHBLSA-N	446.510	5.470	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1C	408791399	XCNGCEKIFMMENI-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c(C)c1	408961885	PFTVASFZEIFWHE-DHRITJCHSA-N	430.464	5.129	50	40	IKGB	
CC(C)Oc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409031496	HBBYSWIKQBZKEX-LQKURTRISA-N	443.934	6.106	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Cl)c1	409190929	BPVHFNKNMDXHKS-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccc(I)cc1	409369490	PAMYGTABWKGJBO-ZHZULCJRSA-N	437.280	5.934	50	40	IKGB	
CCOc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OCC)cc1NC(=O)CCl	892316	HJRMQOGWBNTRDO-UHFFFAOYSA-N	432.948	5.211	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)sc2c1CCCC2	1300148	YMMFIJZBCVCKSV-GXDHUFHOSA-N	448.466	5.368	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2CN(CCCl)CCCl	4722563	AXMNGUWNNKFSDT-HBOWXHLSSA-N	428.488	5.706	50	40	IKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1	9223187	XTOCKMNSVSDEGV-XMHGGMMESA-N	427.554	6.497	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	9265271	VFAFLSZRFMKZOJ-MZJWZYIUSA-N	445.906	5.363	50	40	IKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1	30817711	FUWDEBFBYJVXBS-CFRMEGHHSA-N	443.728	5.445	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	59416272	NCEYNYIEZQHJMZ-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC	108261818	VKVLCANZTNZZSE-IXORVSQSSA-N	440.927	5.452	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)NC1CCCC1	207157492	DPWDLMCJXCSAFF-BOPFTXTBSA-N	443.316	5.133	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc2Br)c1	408783523	MOQDIOALAZLRSQ-IUXPMGMMSA-N	447.760	5.422	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1	408788452	KCMAMTAFSOOZJN-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1	408790253	OJWXRCXQHRAKCS-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccc(Cl)cc1	408805924	IKJUMXHMAOFFEV-XMHGGMMESA-N	443.909	6.336	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc(C)cc2)c1	408815226	PRSAQBFUXWLVCH-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408993676	DYPCIOWYUWUEKO-YKQZZPSBSA-N	448.526	5.309	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409230050	WQBNRPQPYXFFDP-FYJGNVAPSA-N	443.909	6.336	50	40	IKGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409327465	UIQCLHRLFHTIQB-INIZCTEOSA-N	447.343	5.052	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OC	409328192	ZWBZZPSNDWSELU-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409352240	ZMOUTXWEPNECAV-MUFRIFMGSA-N	427.479	5.120	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1	409360303	DQJYBSMIBUMHQX-HAHDFKILSA-N	440.340	7.245	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2cccc(F)c2)c(C)n1-c1ccc(I)cc1	409390549	FUCJWFUVBGKUCE-WOJGMQOQSA-N	442.275	5.902	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(C(=O)O)cc1	2773656	UJZRPFORWFHKGH-UKTHLTGXSA-N	427.243	5.497	50	40	IKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2OCCC)cc1	8385952	VHVTYSNJGHOHJX-NHFJDJAPSA-N	440.584	5.744	50	40	IKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(CSc2nc3ccccc3s2)cs1	9090528	FKLMVFQFSBTFEW-NTEUORMPSA-N	436.543	6.017	50	40	IKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	12577630	FHTGNWAEAJNFCI-FYDYWCEBSA-N	437.326	6.217	50	40	IKGB	
C/C(=N/NC(=O)[C@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1cccc2ccccc12	15133722	UQBLWXKYMXYZGU-WFYOHKHESA-N	432.567	6.303	50	40	IKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br	33379121	BXDBJFCHOQOSOZ-WDZFZDKYSA-N	426.097	5.310	50	40	IKGB	
Cc1ccc(NP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104111273	UTFPOZYTTZCEOP-UHFFFAOYSA-N	448.344	6.162	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2[C@@H](C)CC1(C)C	223548092	XCOOHCYIZGUJQC-LAWDAALWSA-N	445.529	5.899	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1	408570008	RLOMAXXTQRLAOZ-ZDLGFXPLSA-N	443.434	5.052	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC	408719753	QPZCCTDCFWATRW-XSFVSMFZSA-N	443.934	6.209	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC	408725651	NCJTZNMGATZCLE-JYRVWZFOSA-N	435.705	5.055	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(F)cc1	408818827	YMIRVQOPHLFQLF-NTFVMDSBSA-N	428.463	5.643	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)cc1	408842725	AVXAXJNPESHUAE-YUMHPJSZSA-N	429.907	5.576	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(C)c3ccccc23)cc1	408847843	SNXHESMDZVFBTR-MIXAMLLLSA-N	432.527	5.708	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1F	408868298	PJZTVPVUNATEHT-XDHOZWIPSA-N	439.317	6.577	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1cccc(F)c1	408868445	OJMCBYOZGNHJKG-KEBDBYFISA-N	448.925	6.241	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)c(C)c3)c2C)c1	408967915	SUHXHTIKQUUVOW-YSMPRRRNSA-N	432.524	5.043	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)COc3cccc4cccnc34)c3ccccc32)c1	408992944	UEXAEUSKBMGTOU-OKCVXOCRSA-N	448.526	5.075	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1	409017351	MZUDTYLZTUMMIQ-MFKUBSTISA-N	436.989	6.399	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccc(C)cc1	409077078	DAIFCOAYBXWRFX-LFVJCYFKSA-N	438.527	5.857	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc(F)c1	409191811	NVNLHOSFEYNDEB-MFOYZWKCSA-N	428.891	5.032	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409227605	QRLKBKHCIJZEKL-WMZJFQQLSA-N	445.622	5.373	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1OCc1ccc(Cl)cc1	409367697	DTUZZDXWTBAQGM-KGENOOAVSA-N	436.939	5.185	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)NC(=S)N1	409367884	NFULCXUCBRSWJH-IBGZPJMESA-N	446.403	5.915	50	40	IKGB	
Cc1nc2c(o1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1c(Cl)nn(-c2ccccc2)c1C	1073658	HKRMVFVRAUMWQN-HXUWFJFHSA-N	442.910	5.108	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	3143831	BEIZEOREFWVZFP-WGOQTCKBSA-N	441.443	5.051	50	40	IKGB	
N#CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3nc4ccccc4s3)o2)ccc1Cl	9057515	AHCADAMGRUJLAX-PTNGSMBKSA-N	445.887	5.954	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccccc1Cl	9202007	IHVDWJLTAXENIU-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1	58926852	MUUZORBHWIIVQK-DHRITJCHSA-N	425.985	5.607	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1	59296927	YIFGKITWMJEHTK-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1cccc([N+](=O)[O-])c1	59488969	FWNXPDRDPFQQOI-ZCXUNETKSA-N	441.450	5.129	50	40	IKGB	
CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@@H]1C[C@@H](Sc1ccccc1[N+](=O)[O-])[C@H]2Cl	239165259	NUFQCYGMDGDPAI-AXBXVSCFSA-N	446.956	5.615	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC	408539201	FQQWQPODGADZRZ-RRAHZORUSA-N	432.564	6.352	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	408580863	SDBMKWLKELAEMN-CPNJWEJPSA-N	439.920	5.489	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC	408582039	LIIBAQJOXAVSRH-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408723986	BSOMREHNCGQTQT-RDRPBHBLSA-N	434.474	5.596	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1	408795245	KQYZFLJVVQNIIZ-XQNSMLJCSA-N	440.499	5.296	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2OC)cc1	408799469	ZKOBRECDYDYTBT-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)cc1	408816570	UBNNJRHDNZRZGP-VDCHDYNVSA-N	438.955	5.529	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)o2)cc1C(=O)O	408858937	ULVJMMGUCQNBHH-JFLMPSFJSA-N	441.487	5.125	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC(C)C	408873905	WZZHUQWNZIDOSQ-OQLLNIDSSA-N	447.304	5.320	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1cccc2ccccc12	408886811	MJFNLSHDWNKBJI-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2cc3ccccc3o2)cc1	408943782	MBLJVFOEFMQQIQ-RHANQZHGSA-N	434.495	6.237	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409394101	VQKXEFPXDODFNS-OCKHKDLRSA-N	437.854	5.829	50	40	IKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCCO4)cc2)c1	2632549	OABAIHKVRLATLZ-LQKURTRISA-N	444.531	5.233	50	40	IKGB	
CCCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	4352795	YIAICWICZYZEBB-PJZBTWFMSA-N	444.575	6.230	50	40	IKGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3c(F)cccc3Cl)CC(=O)N2C1	9693319	DTJDVCGKPPPSNH-AWEZNQCLSA-N	443.931	5.097	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21	33766113	YMRKGYRUTZYJCX-KGENOOAVSA-N	437.593	7.265	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC	35402589	UMJMOHGXNIAVPD-XMHGGMMESA-N	426.944	6.243	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1	59117080	PTAXTNDPXZHMEM-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c2)cc1	59297140	JSYSGABUXRWBBY-CJLVFECKSA-N	448.478	5.613	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)ccc1Cl	408590573	PSNIUCYAJUVRDI-WYMPLXKRSA-N	445.306	5.002	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl	408599399	UHIOKDFVLAWBCG-LFIBNONCSA-N	439.371	6.934	50	40	IKGB	
O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccco1	408752231	GXGZYRIJOGLSFF-OGLMXYFKSA-N	434.451	5.569	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1-c1ccccc1	408787145	SJXXEWNRRWZNND-KQWNVCNZSA-N	428.457	7.536	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(-c2ccccc2)cc1	408816705	ULPJGJKTEZWUHK-JJIBRWJFSA-N	435.502	6.446	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1OC	409323207	ZIRKPDDEINNNMA-PKAZHMFMSA-N	432.520	5.135	50	40	IKGB	
COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(F)cccc1Cl	409374182	YHXZHSATUWTVIF-FQEVSTJZSA-N	443.906	5.244	50	40	IKGB	
O=P(O[C@@H](c1ccccc1)C(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1	3087638	RWPZRIYKVJBQBI-IBGZPJMESA-N	425.679	6.044	50	40	IKGB	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1Cl	3175243	QQVLCBWFCPPRRW-QJTDOHDFSA-N	445.744	5.563	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(s3)CC[C@H](C)C4)c2C)cc1	3534358	CZPPVPBXQILDKV-WBILBPDKSA-N	435.593	5.443	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC	9075405	MMNRXGKXTDLJGL-JMIUGGIZSA-N	428.513	6.053	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	9693298	WUAFXVAICISLDN-GOSISDBHSA-N	427.982	5.281	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4)CC(=O)N3C2)cc1	9693555	DUVVKDVOYDOYSD-JOCHJYFZSA-N	433.577	5.257	50	40	IKGB	
CCCN(CCC)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1	15979037	LMROVSIYOLMAFP-VXNZKSKFSA-N	446.620	5.800	50	40	IKGB	
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCCCCCCCC2)[C@@H]1c1ccccc1	35193609	YOGAOZLYRMFDBV-IGKIAQTJSA-N	431.580	5.804	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)[nH]c2c1	44400081	WNWBLYSTUCVFCK-WQRHYEAKSA-N	426.432	5.123	50	40	IKGB	
Cc1c(/C=N/NC(=O)COc2ccccc2Cl)c2ccccc2n1Cc1ccccc1	44965628	QCOSNYIOPCYDIW-JFLMPSFJSA-N	431.923	5.181	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	58871182	SBOFTUNSBAHMAR-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1ccccc1Cl	59104618	UHBYRTMCKAWRKE-YVMONPNESA-N	430.483	5.004	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C	108023454	GABXBIIMSMITKH-PXNMLYILSA-N	431.286	5.607	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1	108861109	POIYGQWGANYWCW-ZDLGFXPLSA-N	425.271	6.545	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc3ccccc23)c1	408765774	QESOEZLCCIRUCR-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(F)cc1	408807023	NWTBGVHOUASQHF-UBTJMGRZSA-N	436.527	5.405	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccccc1F	408810897	KPTNJEXWMCNKGC-JWGURIENSA-N	445.497	6.528	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Cl	408824240	HNOVMLYJCCCSLP-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
Cc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839522	UDEIMQSKUSCDBO-VULFUBBASA-N	446.963	6.279	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1Cl	408878120	ZXXUAFFMJZLDEY-YBFXNURJSA-N	439.317	6.577	50	40	IKGB	
Cc1c(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(Cl)nn1-c1ccccc1	408895685	VMVIJRGPLIRQCH-YDZHTSKRSA-N	433.364	5.120	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)n1	409385672	JASJMHMVXRVMAR-VXLYETTFSA-N	437.341	5.226	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)cc3ccccc23)cc1	8871567	ROURKUJWKBVQOK-JVWAILMASA-N	443.344	6.342	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(CSc3nc4ccccc4s3)cs2)ccc1O	9090302	BTBXRTCSJMYSTC-RIYZIHGNSA-N	437.571	5.823	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	9096143	SVEQCENMDYZVBX-RISTVWDVSA-N	431.363	5.849	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1	9693566	FASJQKWDNPXKEW-OAHLLOKOSA-N	430.360	5.521	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl	59104658	VIIPBAHSYADSDG-SXGWCWSVSA-N	428.319	5.139	50	40	IKGB	
O=C(OCCCCCl)[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	100930687	PKKSIDRANDIEFY-CYUDJLOBSA-N	435.389	5.400	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(N)=S	408544276	UVXDTELJIUQNHJ-LFYBBSHMSA-N	442.165	5.528	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	408579613	IQXLIHXFPYWOPU-CXUHLZMHSA-N	449.164	7.943	50	40	IKGB	
CCOC(=O)Cc1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1	408691637	JPEKOGZBQJNVQD-HMAPJEAMSA-N	438.531	5.157	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1F	408829024	WUMHMDRHRUFFLT-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)cc1C(C)C	408842735	CIEGDWOEGWQGFM-WOJGMQOQSA-N	441.369	6.134	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1	408881623	JPXIPNQGPBWZCW-XDHOZWIPSA-N	435.296	5.725	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408883875	SACDLRQZWZEEIL-LHVGKRBTSA-N	441.369	5.305	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c(C)c1	409000465	SZQQRFNIGRWDTF-NTFVMDSBSA-N	439.515	5.106	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	409042091	BIEWUYRTHJHKLZ-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)Nc1cccc(Cl)c1	409043508	RHJMVVQPJFKEMM-WQRHYEAKSA-N	432.863	5.163	50	40	IKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)cc1Cl	409254312	YTAMIFOLSAQUKQ-AUEPDCJTSA-N	447.149	5.559	50	40	IKGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)c1	409392243	OJMAFXGGAIISPC-MTDXEUNCSA-N	438.483	5.015	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1	11853111	CWZAKDJHPOJPHQ-FMIVXFBMSA-N	445.273	5.596	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc([N+](=O)[O-])cc1	33404726	JPJCMMSIOMSMOP-WQRHYEAKSA-N	448.309	6.969	50	40	IKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nc2ccccc2s1	33682861	IBUMKWFWUUPXIG-QOCHGBHMSA-N	429.548	7.830	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)o1	34701487	PJZXUIFVEOKTEJ-ZSOIEALJSA-N	444.270	5.936	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	59418867	BVMLEROACKYSRV-AFUMVMLFSA-N	433.851	5.354	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34C[C@@H]5C[C@H](CC(Cl)(C5)C3)C4)cc2)cc1	100813527	XKNCIDWHQQPVIT-JISYYHBNSA-N	446.978	6.070	50	40	IKGB	
N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	100843775	VFYOZGNPSINGRK-XYOKQWHBSA-N	449.841	6.188	50	40	IKGB	
COc1ccc2nc(C)cc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)c2c1	104208355	ZPHXBNLMXZOOHV-MFKUBSTISA-N	431.367	5.282	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1	209402101	SHNCHOCYQAVBQL-HYARGMPZSA-N	448.360	6.799	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2ccc(Br)cc2)cc1OC	408526622	CRUAJHWADXKEIU-ZSOIEALJSA-N	437.131	5.683	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1ccc(C(=O)O)cc1	408544815	XRTRUJMYEITGHV-UYRXBGFRSA-N	439.446	5.181	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	408584092	ZYHHJLZPIRDELH-UDWIEESQSA-N	446.459	5.264	50	40	IKGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)o1	408741488	JFRXJCDMEUCNAC-GZTJUZNOSA-N	431.400	5.070	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C)cc1	408820527	WTUMPKHCDNMZNM-STZFKDTASA-N	430.479	5.658	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(C)C	409190518	YSHXYGRYUAFEPZ-SSDVNMTOSA-N	439.737	5.052	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1cccc2ccccc12	409320993	RHYFTLGRINRFOE-ITYLOYPMSA-N	441.530	7.645	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(F)cc1	8812459	BCKXBSQKDYGBLJ-JFLMPSFJSA-N	443.434	5.230	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	14134443	HMYNAUCRHVDNTK-NDZAJKAJSA-N	431.539	5.926	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C	33600791	LZEIEZRXEVAAIU-RWPZCVJISA-N	445.950	5.982	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC	59117085	UQUFORVDHPAGHK-RIYZIHGNSA-N	449.732	5.446	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1Cl	408580760	RQMLFUCRPPHMQU-CXUHLZMHSA-N	432.709	7.429	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc2ccccc12	408745656	UTQYBWOCAYPWIH-JLPGSUDCSA-N	448.522	6.282	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc(F)c1	408805148	IWDLMVIVDYVXEP-IXOWOOARSA-N	444.506	5.588	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1cccc(F)c1	408884223	XGPVPRHDSVSPRU-RGVLZGJSSA-N	448.925	6.323	50	40	IKGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl	408972661	QIOMGDSDHFASRL-SCDVKCJHSA-N	428.684	5.534	50	40	IKGB	
CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409035847	QTCGMTHHOPUTHD-WGOQTCKBSA-N	442.544	5.716	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	409304531	RTECQXRLXMUWEY-QGZVFWFLSA-N	445.407	5.443	50	40	IKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1OCC	409394178	WUDSIXTZHRFJCU-SXGWCWSVSA-N	449.263	5.458	50	40	IKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(CC)s3)c3ccccc3n2)cc1	8455903	FTDJVQYAWAUEBR-WPWMEQJKSA-N	427.573	6.242	50	40	IKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(I)c1	8861537	FBMGZVZKWPHRHG-FOWTUZBSSA-N	446.288	5.016	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)CSc2ccc(Cl)cc2)o1	83295905	KAMSQZSPAOTIPN-JJFYIABZSA-N	429.885	5.059	50	40	IKGB	
C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)cc1	408583014	QXFPTKYDMHDZMK-OQLLNIDSSA-N	447.126	5.296	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1	408759282	BGJMDIJBGJBVCS-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	408789277	IGRLTEZPSODQER-MDWZMJQESA-N	442.258	6.016	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccccc1	408802300	YCTIDCHMTBFXGG-PXLXIMEGSA-N	442.515	5.527	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1	408817339	NCOHTSPRVVJXIG-OEAKJJBVSA-N	430.511	5.724	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408875887	MASONVHWLIGFKR-WOJGMQOQSA-N	435.842	5.524	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408887201	MMIFKBWAWOGEGF-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408898865	YAQXFSVWTJIHNL-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OC	409036821	MCTJCPOKDHZVOA-DICXZTSXSA-N	445.906	5.336	50	40	IKGB	
CC(C)n1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc21	409165512	YWWMMGAJKGMDOC-DHRITJCHSA-N	432.351	5.838	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)cc3)cc2c1	409188084	WWWRLHJTAGNKND-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
N#C[C@H](C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1	409207697	XQUKAQCAOSFQMG-SQEMJAKJSA-N	426.907	5.100	50	40	IKGB	
O=C(NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1cccc(Cl)c1	1105104	TWNDKUDJDVZVJM-UHFFFAOYSA-N	446.902	5.161	50	40	IKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	9331147	ZDFRCEUERLYGHG-FYWRMAATSA-N	444.387	7.272	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1O[C@H](C)c1ccccc1	9434997	XZNAGYOIWUFXHM-OGTCDWKQSA-N	426.516	6.079	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N3C2)cc1	9693577	GLNUQLVUVZNFER-JOCHJYFZSA-N	433.577	5.257	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	39884700	QBONWFNPJXUXFP-MDWZMJQESA-N	428.231	5.707	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(C(F)(F)F)c1	59921401	GTVVJQMAUYZDHG-OKCVXOCRSA-N	448.444	6.202	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1nc2ccccc2s1	95100353	DDKFTYWPVDBCNF-QGOAFFKASA-N	429.476	5.560	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc([N+](=O)[O-])c1	408548917	NHXKOHDUEDDREC-CFRMEGHHSA-N	436.467	6.400	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1	408581660	YMEKOGSKBCUYCM-NBVRZTHBSA-N	440.318	5.281	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1O[C@@H](C)CC	408676888	NMUYIYAUJRNWGP-GNYKCMPYSA-N	443.975	5.280	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccs3)cc2-c2ccc3ccccc3c2)c1	408724045	CZFCULXUYXHTGI-WPWMEQJKSA-N	436.540	5.826	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12	408745541	NPRUWDVINBSFLK-QNGOZBTKSA-N	425.919	6.446	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC	408761072	HHLGAUAWSWLUBC-ZSOIEALJSA-N	447.716	5.222	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(C)cc1	408887678	SJMPEGHZYAHKHT-RCCKNPSSSA-N	426.472	5.159	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4ccc(Br)cc4)o3)oc12	408972097	RURBZKDPLQBVIC-FSJBWODESA-N	439.265	5.228	50	40	IKGB	
CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)o3)sc2c1	408991170	NCHAAZOLBHEFJY-SDNWHVSQSA-N	444.541	6.380	50	40	IKGB	
CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F	409369020	XUEGVDWVAPKJQE-OAQYLSRUSA-N	439.556	5.146	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1c1cccc(Br)c1	622718	HKFQCRGRUIPQDL-IBGZPJMESA-N	443.304	5.211	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1	2855119	NKCUFVZKZOFSHI-FMIVXFBMSA-N	428.231	5.707	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12)c1ccc(Cl)cc1	3086420	VCBGCWGQZOKKHG-JVWAILMASA-N	427.891	5.509	50	40	IKGB	
CCCC[C@@H](CC)COc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1	4281094	ZSGOOFPPDNUZMX-MRXNPFEDSA-N	447.373	5.119	50	40	IKGB	biogenic
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	9580692	VLMBVHKTKAXVTQ-XMHGGMMESA-N	439.540	5.507	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc2ccccc2cc1O	33958759	NEKJADWZCQTZBP-UXHLAJHPSA-N	446.506	6.042	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)cc1	58926721	QAUCTPVDLIRSJN-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc(Cl)c1	408599078	OLXPSZQEFJGHIH-VCHYOVAHSA-N	437.757	7.714	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2cccc(Cl)c2)c1	408800574	PUEYFHBXIIUXBY-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1Cl	408813754	RENYOKOIGCIOBI-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CCSc3ccc(C)cc3)o2)cc1	409123008	DHPRJKXINRCJAU-PCLIKHOPSA-N	436.533	5.064	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	409123859	FEEIAFGXHDBOEQ-BIKZULFDSA-N	449.532	5.113	50	40	IKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccsc1	708340	XALSXUNPICHXGF-LJQANCHMSA-N	446.601	5.143	50	40	IKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1	2553670	MIHMUEFSYQHNNL-CPNJWEJPSA-N	449.963	5.806	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	3146188	DYHWMYZGIDFOJD-IPPBACCNSA-N	437.421	5.681	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccccc1C#N	9187227	BTJKRIVIUOWWLT-VXLYETTFSA-N	440.890	5.740	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1Cl	9311026	JAVFPNNAZHHAAG-HMAPJEAMSA-N	446.934	5.541	50	40	IKGB	
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	13324310	OMMBRKKVVBNUJJ-WFZBXURCSA-N	431.923	5.236	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc2ccccc2c1	16545835	RVNHSZXNLKYGDC-APSNUPSMSA-N	441.270	5.156	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1Cl	108261229	VUNQMRQCSYMQJY-YVLHZVERSA-N	428.290	6.784	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	408785441	YZEDGRKQYYDSRU-UQQQWYQISA-N	446.550	6.890	50	40	IKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c(OC)cc1Cl	408823365	FDPDHORINMXBKC-XDHOZWIPSA-N	448.906	5.482	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4O)cc3)cs2)cc1	408846775	RHKNDELJMZWVJT-AFUMVMLFSA-N	428.517	5.332	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1	408891037	KEWHHUFGXJIDQR-GZTJUZNOSA-N	437.282	5.758	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1	409371593	IKMYIPYTNQXVPY-GHRIWEEISA-N	425.269	5.907	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)C(c1ccccc1)c1ccccc1	409392515	PYKKDEZZXOGUKV-JVWAILMASA-N	443.434	5.276	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc(F)c1	409394008	UHANVZYEBYQPHL-ZDLGFXPLSA-N	426.260	6.370	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	3174894	DYRQKLVOCMKNLD-ZMOGYAJESA-N	447.373	5.199	50	40	IKGB	
O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	8722680	RDGRDAXJZZKWFV-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1C	9311071	VOIMYSCYVFFWEN-STBIYBPSSA-N	438.575	5.882	50	40	IKGB	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3cn(C)c4ccc(F)cc34)sc2n1	12446516	NJMMMSADOOZETP-RPPGKUMJSA-N	445.523	5.099	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1	12590838	QJKKTFGFFLVEOO-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	16399284	UYLSWJGUKLEFKI-AFPJDJCSSA-N	442.872	5.495	50	40	IKGB	
C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(Cl)c([N+](=O)[O-])c1	19637104	XCXRWXVMRXPYRJ-ODCIPOBUSA-N	442.711	5.924	50	40	IKGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1	20132420	VWMGGQVEFQCUHQ-CQSZACIVSA-N	439.762	5.641	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1	32124895	IJUDFNDUYRXDQI-UYRXBGFRSA-N	429.501	5.909	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(F)cc1	34746725	DMVWBPLXAZZPTQ-WYMPLXKRSA-N	436.468	5.120	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)c(Br)c1	59198825	IPZNBWSVPGGOAI-SFQUDFHCSA-N	435.321	6.180	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1	98001591	VMENABVDELFKMU-NHFJDJAPSA-N	440.584	5.987	50	40	IKGB	
N#CC(C#N)=C1C=C(NC2CCCCC2)C=C2[C@@H]1N[C@@]13CCCC[C@@H]1CC1=C(CCCC1)N23	100672630	WUJKFZSNKZMUFF-KPGYKUMBSA-N	441.623	5.426	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC	408538443	MYRUUXNZSMXJFZ-KGENOOAVSA-N	440.971	5.921	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	408551131	LGDCQRFVEXYKOK-NTUHNPAUSA-N	446.359	5.750	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1F	408806184	ACTBXAGOKOARQM-UYRXBGFRSA-N	434.442	5.488	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	409336536	TXHRREOBNHWYCZ-VEILYXNESA-N	444.531	5.301	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccco1	409371443	FTLCKUIWRTXTTR-SSDVNMTOSA-N	433.689	5.038	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccccc1-c1ccccc1	3325289	YKDIODJTLCSOKP-JVWAILMASA-N	444.922	5.030	50	40	IKGB	
N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	11853103	CATHSBTYULSHLR-NTMALXAHSA-N	435.267	6.141	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	20198099	WHHXTIRWYUTQON-MTDXEUNCSA-N	425.532	5.551	50	40	IKGB	
CC[C@@H](C)c1[nH]c2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	32116809	KKUUMXZADCBVMX-LFWZTCNZSA-N	438.325	5.954	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1	33488910	SIHNDQKUPUOISL-JAIQZWGSSA-N	434.879	6.290	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc2ccccc12	33766024	HMFUTLMUWZUAQO-MBTHVWNTSA-N	449.337	6.490	50	40	IKGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	59336635	VBPXFALJINYRFA-GHXNOFRVSA-N	425.699	5.600	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1C	102534769	FROAEUPTDNUQRF-ZGQMNJRFSA-N	436.899	5.607	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Cl	408826453	CEIOHFLNCCHOJP-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)o2)cc1Cl	408989567	IGGOBKUWGWLPSL-SFQUDFHCSA-N	445.931	6.487	50	40	IKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1Cl	409137308	WWTPVXVXBWKEQZ-DEOSSOPVSA-N	448.906	5.241	50	40	IKGB	
Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1ccc(Cl)cc1	2749211	IHQIIGJMUTURTE-HXUWFJFHSA-N	442.993	5.817	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	8860984	ASUZAJDUZPDOGZ-CGXYTPQZSA-N	431.492	5.406	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	9222250	ANQAVDBXSCFLDP-CPNJWEJPSA-N	428.513	6.160	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(Br)c1O	12140018	DLKZCLILLDEWJC-VIZOYTHASA-N	427.323	5.659	50	40	IKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1	12467624	ARRRSXICQBXRMN-BKUYFWCQSA-N	449.026	5.116	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1	13615859	LGGNXWATTXMLAI-AUWJEWJLSA-N	425.296	6.287	50	40	IKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C/c2ccc(OCCN3CCCCC3)cc2)cc1	17316563	MUUKKXFHCZPDEJ-XTCLZLMSSA-N	447.623	5.336	50	40	IKGB	
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC(F)F	23724469	ZBKRIUFKGNNXCZ-NTUHNPAUSA-N	448.274	5.332	50	40	IKGB	
CCCn1c2ccccc2c2cc(/C=C/C3=CC(=C(C#N)C#N)c4ccccc4O3)ccc21	27515379	MMWSBTSJTSJTNT-ACCUITESSA-N	427.507	6.995	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	107996402	NKNXOQPZJVHLMR-LQKURTRISA-N	425.532	5.637	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)Sc3nc4ccccc4s3)c3ccccc32)cc1	108973810	FAILNSMYXZXNMH-KGENOOAVSA-N	437.593	7.265	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(=O)NN)CC[C@]4(C)[C@H]3CC[C@@]21C	118928958	HJVWCTNBJZXJIV-LBGFUSKISA-N	428.705	6.634	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408539557	XLTQPFWYZCOHLJ-XDJHFCHBSA-N	445.390	7.278	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	408744455	LBOMFLNQUPNTHP-XLNRJJMWSA-N	435.527	5.942	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408745431	SCNUXUJXWISSOY-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccc1Cl	408796143	OFGIANQALPEQJS-QGOAFFKASA-N	433.851	5.373	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1cccc2ccccc12	409198684	CXGULQYZKQDMGC-IONSAMEVSA-N	449.510	5.185	50	40	IKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	1063416	FEKBLHJTXOLYDK-MFKUBSTISA-N	428.448	5.026	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc2c1CCCC2	2203677	YESBJGXTICKVDD-SSZFMOIBSA-N	435.574	5.904	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(O)(c1ccccc1)c1ccccc1	2272519	RSZYBYSHQDZPHH-TWKHWXDSSA-N	430.507	5.379	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)C)cc1	9805858	CWSOKNPQRJQUFQ-CCVNUDIWSA-N	427.470	6.000	50	40	IKGB	
O=C/C(=C\Nc1ccc(Br)c2ccccc12)c1nc2cc(Cl)ccc2o1	15930152	OBWKECPGJQTLIR-ZRDIBKRKSA-N	427.685	6.049	50	40	IKGB	
Br[C@@H]1[C@@H](c2ccccc2)CSc2n(-c3ccccc3)c(-c3ccccc3)n[n+]21	54361221	UREOWADHCIIHKL-RTWAWAEBSA-N	449.397	5.610	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	59117503	XANKRBNQALRKHQ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	59232928	ROSYVKKUSILRDL-MFOYZWKCSA-N	433.335	5.403	50	40	IKGB	
FC(F)(F)[C@H](Br)[C@](F)(Br)Oc1ccc(Br)cc1	97437821	SJJGACJBVGTRLW-HTQZYQBOSA-N	444.842	5.172	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc2ncccc2c1	139535316	LSPSLOUZFDAZBR-MTJSOVHGSA-N	428.333	6.469	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3Cl)cc2[C@H](C)CC1(C)C	208318259	DGVNVPBKQHDART-IOFNULOHSA-N	427.976	5.290	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1O	408581500	XJTPOJDWEWHAQP-ONNFQVAWSA-N	446.071	5.376	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1cccc(Cl)c1	408599044	NWRHNMABZYZOEK-JMIUGGIZSA-N	449.735	6.617	50	40	IKGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1	408719632	IJAPBKBJSROVAJ-RTMGKINMSA-N	431.561	5.101	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc21	408904775	OKZRWFSRYVLVHC-QFEZKATASA-N	426.432	5.233	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	1453921	YRDACZOONZAMJW-BJMVGYQFSA-N	445.622	5.373	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1Cl	9905643	NDFKHEMNSWZTKL-RIYZIHGNSA-N	441.270	5.806	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	10059553	COCBRVBXQUYMPF-PBEVGHANSA-N	445.346	6.296	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccc1	33927545	QHVBZBDSSYDSBD-XKZIYDEJSA-N	434.502	5.120	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21	208191510	CONKDBPNNGYPLA-DISPHTKASA-N	438.369	5.717	50	40	IKGB	
N#CC(C#N)=C1C=C(NC2CCCCC2)C=C2[C@@H]1N[C@]13CCCC[C@@H]1CC1=C(CCCC1)N23	226919785	WUJKFZSNKZMUFF-FQNJNTOFSA-N	441.623	5.426	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1Cl	408592539	ZAVLHUKEBZFRHW-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1	408708831	UEOBBAQYGFXSMN-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3nc4ccccc4o3)cc2Cl)cc1	409044457	CKQCRMJACRYGSA-VCHYOVAHSA-N	435.310	7.086	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1ccccc1	409048240	RYUMRPQXCTXHFX-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409208794	ADMRRYJLVVFUBB-UFFVCSGVSA-N	441.778	5.132	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)c1	409268812	AVUDRSVJKALKTG-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(S(=O)(=O)[C@@H](c2ccccc2)[C@@H](Br)C(=O)c2ccccc2)cc1	1453031	MOBBZRDDCIJOCD-UNMCSNQZSA-N	443.362	5.156	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cncc(Br)c1	3140118	KPTLUVWDYBJRDO-LSFURLLWSA-N	439.096	5.175	50	40	IKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1	6148462	NWNZJLZSOOSBBO-LICLKQGHSA-N	438.350	5.351	50	40	IKGB	
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)CCCCl)cc3)nc2c1	17096725	VBCLIHSFECJZOS-CQSZACIVSA-N	429.973	5.840	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccccc1F	33380215	MIAIGBBMDCJJRL-ZDLGFXPLSA-N	447.897	6.316	50	40	IKGB	
S=C1OC(c2ccccc2)=N[C@@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97983306	NLFQTUAOWCVLIJ-AREMUKBSSA-N	438.512	5.111	50	40	IKGB	
CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc2ccccc12	113834002	ZXYBPQMUHSVANO-UNOMPAQXSA-N	436.305	5.651	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2[C@@H](C)CC1(C)C	223574521	PCKWVNFPFIVEJU-JZNDDVEWSA-N	437.971	6.271	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccccc1Cl	408710691	FPZLRRPFWZKTKZ-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1	408746276	RJRBNMOZBIHLBR-ODLFYWEKSA-N	430.533	5.198	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1	408771540	IXWSCCDYYRGMMO-QINSGFPZSA-N	430.489	5.251	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1	408777113	VLKPJPLIUAVPMO-JAIQZWGSSA-N	446.890	5.471	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCc1ccc(Cl)cc1	408889781	HBOFRFAUALSHSF-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	409250798	NZTRKYOJPPEVCF-PTNGSMBKSA-N	428.435	6.304	50	40	IKGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409327466	UIQCLHRLFHTIQB-MRXNPFEDSA-N	447.343	5.052	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2F)c1)c1nn(-c2ccccc2)c(N)c1C#N	8854648	VOTJWFDFKFBRKE-DEDYPNTBSA-N	435.462	5.108	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1Cl	12466406	HPXTWXYYLOUDMI-AYLZGIOVSA-N	442.906	6.687	50	40	IKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cnn(Cc2ccccc2Cl)c1	12509955	DTYAAEJOHDOZFI-UHFFFAOYSA-N	430.122	5.302	50	40	IKGB	
N#C/C(=C/c1cccnc1)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1	16429872	DUQOIDFKFOZBNN-PQMHYQBVSA-N	426.284	5.682	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c(C)c1	33574343	PDEFFHSTYRJSFL-DEDYPNTBSA-N	443.478	5.006	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC	33772273	VCLIGUXIIABUIW-VTGBELTLSA-N	439.737	5.052	50	40	IKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c3ccccc32)c1	33859593	YKEBJSADXMNSLW-ZHZULCJRSA-N	445.526	5.837	50	40	IKGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)ccc1OCc1ccccc1	59473702	MOAZQPOXNCYEJR-JFLMPSFJSA-N	448.588	5.275	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408718732	CJEOMUGDAHZTAV-UANOFGPBSA-N	431.363	5.849	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(Cc4cccc(C(=O)O)c4)c4ccccc34)[nH]c2c1	409393675	YYLYQFZALQVAKZ-UNOMPAQXSA-N	448.482	5.337	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2	705475	HDOPEVUQHRHQAQ-QFIPXVFZSA-N	447.922	5.010	50	40	IKGB	
Cn1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)c2ccccc21	1453259	RZJPPEIEVIFLGH-DEDYPNTBSA-N	448.551	5.924	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O	8765916	QQDZIWDFIRXXCP-DHRITJCHSA-N	438.597	5.106	50	40	IKGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1ccc(Cl)cc1Cl	8843245	RNOIGOHFDJCCNZ-BRJLIKDPSA-N	433.722	5.707	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1C	28217025	HFSDPWUIZNHVHR-CVKSISIWSA-N	440.012	5.997	50	40	IKGB	
CC[C@@H](C)n1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	33605970	JRANLLZJQRQWMH-KPQXCZDLSA-N	438.325	5.885	50	40	IKGB	
Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl	38680137	YBZSFTZGRYKKFP-NRFANRHFSA-N	434.854	5.225	50	40	IKGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	59399049	VQGMUEORWVKBGA-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2CN(CCCl)CCCl	118926266	AXMNGUWNNKFSDT-DCQIOEQRSA-N	428.488	5.706	50	40	IKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2)cc1	408527707	GFUNBMCAKHUPGQ-IPPBACCNSA-N	441.453	5.155	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1	408706509	ALVMTHFDZHDUIV-MZJWZYIUSA-N	448.954	5.406	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1	408744390	KYEKFAQVMZMIJS-PDGQHHTCSA-N	431.448	5.416	50	40	IKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc(Br)c1	408758012	FRBCLCHVVJYFOJ-AQTBWJFISA-N	427.301	6.301	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C	408758970	VUDMGHMRGKQXNQ-UNOMPAQXSA-N	434.337	5.711	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1	408813450	UIMXTFUIQJTPHB-HAVVHWLPSA-N	437.518	5.403	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc3)cs2)cc1	408847043	SHTSOYRDICLBGO-AFUMVMLFSA-N	428.517	5.332	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(F)cc1	408863886	VFGBSRNLWLEEPR-CPNJWEJPSA-N	443.909	6.336	50	40	IKGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1	408881943	LDDJJEPMKQIWBI-WGOQTCKBSA-N	437.952	5.225	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl	409019633	KAVTXQSFFLKOAS-GRRFOWRYSA-N	433.733	5.825	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1C	409063286	KAKOHNNCSUTHTD-UDWIEESQSA-N	448.364	6.019	50	40	IKGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	2553447	AYDPVXIVWLYVGP-VGOFMYFVSA-N	432.307	5.725	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)NN=C1CCCCCCCCCCC1	4134025	VFXDDSTWQSDKCA-UHFFFAOYSA-N	446.680	6.540	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	28216190	ANLCNAWCHMDMHW-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	35352257	HKPHLVPLCKOUPK-MHWRWJLKSA-N	429.314	5.101	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1ccccc1Cl	58871383	GEDFHOSROHZDHZ-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1	59116967	OZYPMCXICXLSFT-XMHGGMMESA-N	446.890	5.504	50	40	IKGB	
BrCc1ccc(CBr)c(CBr)c1CBr	95696878	IIYIEWLCGSETQQ-UHFFFAOYSA-N	449.806	5.266	50	40	IKGB	
N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccccc1F	104126140	LIINXMRVVFMYHD-QHCPKHFHSA-N	447.535	5.145	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	208463232	SDPUQJVMBKCZMN-ROTLSHHCSA-N	432.351	5.154	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2[C@H](C)CC1(C)C	260565682	JLYYFJHKZWLBAE-CJHIPLPSSA-N	427.592	6.033	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1C	408589115	YSAJYRWYMFOWMO-MFOYZWKCSA-N	442.302	6.382	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc2ccccc2c1	408766701	FGDUGEFTTPXLRC-MYYYXRDXSA-N	449.554	6.580	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc2Br)cc1	408789046	ITRZEEDVXQHCOY-IUXPMGMMSA-N	447.760	5.422	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408802598	ZFQFEIKGOLAOBD-XYOKQWHBSA-N	447.705	6.461	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc(C)cc2)c1	408805366	ALLUKVGBZDNAGE-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	409021579	ODUNFBJMIBCFSB-ZRGSRPPYSA-N	440.286	5.331	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1OC	409310836	WXGNKAPGBZJLPT-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc2c(c1)OCO2	409360956	GDVIZBKIRDEANJ-SXGWCWSVSA-N	431.360	5.088	50	40	IKGB	
ClCCN(CCCl)c1ccc2c(c1)Cc1cc(N(CCCl)CCCl)ccc1-2	1769273	KZOYVGFGDZDPKC-UHFFFAOYSA-N	446.249	5.826	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(OC(F)F)cc1	12599821	RWXDLTDMEUCQHO-MWAVMZGNSA-N	446.457	5.442	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c([N+](=O)[O-])c1	16291381	ZITLLCZNYGAUHM-VULFUBBASA-N	439.427	5.827	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1	59297020	DPULWKJVVGYDCH-NBVRZTHBSA-N	432.863	5.113	50	40	IKGB	
COc1cc(/C=N\c2ccc(-n3ccnc3C)cc2)ccc1N(CCCl)CCCl	104132843	OYTNNQRGTHATFY-QQXSKIMKSA-N	431.367	5.224	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(F)cc1	107582684	LCXGVMVRGZTZKA-JCMHNJIXSA-N	431.482	6.735	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1	408548525	IEDRROFVIDFYSW-OYKKKHCWSA-N	425.915	7.145	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccc3c(c2)CC(C)(C)O3)ccc1OCc1ccccc1	408710670	DGIRSPFMFUNFSG-QRQIAZFYSA-N	444.531	5.142	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1ccccc1F	408877349	VGLAZDNVHIMZTL-LICLKQGHSA-N	436.870	5.330	50	40	IKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl	408889819	JLQQMXPHVMRQCD-JFLMPSFJSA-N	445.003	5.732	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2)cc1	408947650	QPTBIPDNFQUOPW-OFWBYEQRSA-N	448.570	5.817	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(C#N)cc1	409143973	HRTSDNYJXFDMKV-UDWIEESQSA-N	443.890	5.345	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc2ccccc2c1	409215813	BGDLXIKFKHPSIE-JFLMPSFJSA-N	447.991	6.143	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccc([N+](=O)[O-])c1	409216073	DSACIHUPXLVDOV-NTFVMDSBSA-N	448.482	5.515	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409259608	BICRTWILSISBHR-AFUMVMLFSA-N	433.851	5.354	50	40	IKGB	
C=C(C)Cc1c(C)nc(SCC(=O)C(C)(C)C)nc1OP(=S)(OCC)OCC	2557701	AMSMHLBEKSIMNJ-UHFFFAOYSA-N	446.575	5.287	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2C)cc1	3534355	CZPPVPBXQILDKV-KSXCTLEASA-N	435.593	5.443	50	40	IKGB	
CCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cc2)CC1	4610472	GEBPRJSHBWKMQE-UHFFFAOYSA-N	426.988	6.269	50	40	IKGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Cl)cc1Cl	9934799	DVVOVJGHBGQHRH-FOKLQQMPSA-N	439.295	5.080	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1	18192506	ATSDGCPBBSFGQF-HZHRSRAPSA-N	441.531	5.433	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1	33784701	WYSHRWRICLAASN-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c1	33923311	ZPRWJBPAPMUOOU-XMHGGMMESA-N	434.524	6.222	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccccc3OCc3ccc(Cl)cc3Cl)nc2c1	50552192	KHUZVOXDQZZGRM-WQRHYEAKSA-N	434.326	6.821	50	40	IKGB	
O=C(N/N=C\C(Br)=C/c1ccccc1)C1c2ccccc2Oc2ccccc21	57476909	DCFUGWMUOCUFTR-TYULNGPLSA-N	433.305	5.462	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)cc1	59473189	PNCKJZJYWGFZJM-CMPFEXHJSA-N	438.980	5.858	50	40	IKGB	
C=CCOc1cccc(/C=N/NC(=O)COc2ccc(OCCCCCCCC)cc2)c1	98045805	YFCKQIZKSBJXQE-NHFJDJAPSA-N	438.568	5.520	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2[C@H](C)CC1(C)C	208320812	RWIYCWDBNQYUBO-GBYSFBBLSA-N	429.564	5.730	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C(C)C	223598437	YDCJEESAOTYAEF-HDOAHBKWSA-N	435.999	6.695	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	408532217	PYGQYUZATYUKDV-KBVAKVRCSA-N	446.554	5.713	50	40	IKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c1	408745552	NTPGAAUUFCPBKF-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1Cl	408795569	LOCWXNYYWAQXEC-XDHOZWIPSA-N	443.909	6.336	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(C)cc2)c1	408807285	GWCRCMRTKDLTIF-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1	408816150	SPWWWXJYNGMMCH-KGENOOAVSA-N	428.488	5.137	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409048936	UPULHDYMRMYLJR-YTJZSDDSSA-N	441.369	5.305	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OCCC)c1	3238477	MYCRDJQMFIQLCO-OVVQPSECSA-N	433.552	5.436	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC	9187134	QQSKNZLVLXQWRO-XNTDXEJSSA-N	426.314	5.577	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	9310797	MLRMWOAJFSYVLK-XSFVSMFZSA-N	448.364	5.965	50	40	IKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)[C@@H]1COc2cc3ccccc3cc2O1	9948581	CHCROVFIYRFXAO-WIUSZDIKSA-N	432.479	5.436	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1	108949046	LWURVWHJKSIKRG-ODLFYWEKSA-N	447.878	5.638	50	40	IKGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2C1(CBr)OCCO1	253617495	PXLRPEYMUKKRQS-ZIINTYDKSA-N	441.450	5.144	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(Br)cc1	408531555	OLWVRPSQLAOTNM-ZROIWOOFSA-N	428.669	6.125	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccc(C(=O)O)cc1	408580187	BAXCXILKBBIION-HYARGMPZSA-N	429.472	5.435	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1	408745784	PCRXEEDBBABSKE-UNOMPAQXSA-N	448.906	5.482	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(Cl)c(Cl)c1	408796197	DULZIYDVHJLMDJ-ZNBBLSJYSA-N	447.362	5.793	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1	408800905	RWLLTYIBTSATBJ-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1	408857555	OHHXOADHVDTRSN-PTNGSMBKSA-N	440.728	5.747	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)cc2c1	409187811	UOGWFFCTSGBSRX-YUMHPJSZSA-N	444.535	5.069	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)ccc1Br	409214917	YUYGBTFIZCMMIO-UNOMPAQXSA-N	436.309	6.137	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1	409254545	DZSDHJSANKRYOK-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccc(Cl)cc1	409313481	PZWMILFOPHDERR-INIZCTEOSA-N	433.758	5.375	50	40	IKGB	
C/C(=N\NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(-c2ccccc2)cc1	8387090	OEQHSJFJNBTIMJ-NDZAJKAJSA-N	442.603	6.808	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1C	9693307	FYBCXRQKFWRJPY-INIZCTEOSA-N	427.932	5.315	50	40	IKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1	13756947	INIXDMYNPXJDHS-HEWHHCIISA-N	444.538	5.806	50	40	IKGB	
CCCCCCc1ccc(OCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1	13941832	VRHWKEMWNROIEW-QUPMIFSKSA-N	444.575	6.031	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)cc1	28216466	SOSMPJIRJAYISA-MJDKSPQASA-N	425.985	5.687	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	32116833	MZOYYXCKKSVSDD-FMCGGJTJSA-N	446.315	5.817	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC	59336436	LJGXLMAUTQZMQM-JYRVWZFOSA-N	439.726	5.990	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	59474921	RECZITNLLPZRKF-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
O=C(N/N=C\c1cccc2ccccc12)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408727573	FNJTVIOZNLBNLG-MBTHVWNTSA-N	425.919	5.777	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c(C)c1	408744847	NPLLXESFJIXVSS-HMAPJEAMSA-N	427.504	5.043	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)NCc1ccccc1	408745806	AHFXCZOGEPVXIG-JAIQZWGSSA-N	437.326	5.796	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408778075	AFLCFDFVUJIZNU-ZHZULCJRSA-N	431.967	6.591	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccccc1	408787740	FPGQFWBOYGMBFL-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)c(Br)c1	408796113	NFYBXSDDPGTOBJ-SFQUDFHCSA-N	435.321	6.180	50	40	IKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CSCc2ccccc2)cc1	408826712	IXKJFGYNAGXFKX-SGWCAAJKSA-N	430.617	6.594	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(Cl)c1	408884776	VNOBGMRPTDZXDJ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc2ccccc12	408891550	SHXTXGQFYFLNOY-FOWTUZBSSA-N	443.846	6.207	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1	408988420	QSWOKZXSMVEATI-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
COc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1	409150008	XZYBLLMFHIQHAM-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC1CCCC1	409187906	CVADQJBOMGGWBL-BOPFTXTBSA-N	438.358	5.962	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1	1739484	SQEBMARTTMTYNN-HUUCEWRRSA-N	431.555	5.487	50	40	IKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1	2109795	XDFLMQUBJVLWBF-MFKUBSTISA-N	428.448	5.119	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1	2291240	BFHBTIVUTRKLMR-LJQANCHMSA-N	439.309	5.160	50	40	IKGB	
Clc1c2ccc(CBr)cc2c(Cl)c2ccc(CBr)cc12	2510870	GSTSDRRGFXXPHF-UHFFFAOYSA-N	432.970	7.090	50	40	IKGB	in-vitro
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)c1	9424577	UNHUWKFYSVNWGA-HKWRFOASSA-N	431.499	5.878	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1O	9845877	AULRBQWDROVNDG-MZJWZYIUSA-N	449.422	6.377	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1cccc2ccccc12	10039249	QTMCXIJCNBPBPC-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
COc1ccc([C@@H]2[C@H]3CCC/C(=C\c4ccc5ccccc5c4)C3=NN2C(=O)CCl)cc1	51330560	YMPWDTWLFDTFJD-CNWLMYGFSA-N	444.962	6.210	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408795191	UTJAFMIADCOYCY-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1cccc(F)c1	408803268	NBHPZXKYPQCGIU-WRNUTHQKSA-N	429.539	5.739	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cc(C)cc(C)c2)c(OC)c1	408892009	XEMCSCLULVCLRJ-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OCc3cccc4ccccc34)c2)cc1	408894001	HYQSOBLBEBATOH-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccc(C)cc1	409064600	HVNTTWGMVUCFRX-HZHRSRAPSA-N	436.511	6.517	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)OC(C)C)cc3C)o2)cc1	409113165	IHFKASREBHOXBW-XSFVSMFZSA-N	428.488	5.674	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Cl)c1	409191386	GFPLTDSYKHOYPS-ZDLGFXPLSA-N	429.347	5.847	50	40	IKGB	
Cc1ccc(NC(=O)N(NC(=O)NC2CCCCC2)c2nc(-c3ccccc3)cs2)cc1	1415270	FEDTZUNJDQBGCQ-UHFFFAOYSA-N	449.580	5.704	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c1	3102456	XXFAZGTURACYGM-RWPZCVJISA-N	448.494	5.006	50	40	IKGB	
CCCCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	9445010	PFOREVBPLYUHOR-NBVRZTHBSA-N	438.394	6.892	50	40	IKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1c(F)cccc1Cl	9693317	OUPLCBHYEIEVBR-AWEZNQCLSA-N	434.323	5.352	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C2CCCCC2)cc1	12570103	PQRISSAAVFTDOS-UZWMFBFFSA-N	448.570	6.499	50	40	IKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)Cc1cccc2ccccc12	16137001	BQHVQRDPIIDQAA-VULFUBBASA-N	428.319	5.210	50	40	IKGB	
CCOc1ccc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	34687801	HUUWSLPHLZNUNY-DRMXPCRNSA-N	444.579	5.350	50	40	IKGB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(C(C)(C)C)cc1	34871571	PILPGWLSQHQITD-SNWZXBDOSA-N	448.394	5.196	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1	35303556	JGSYTBSRWRCABF-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1Cl	59435260	IZZYGOBODOMVOJ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC	408580183	BAUWQFPTXKBXPR-VXLYETTFSA-N	440.326	6.654	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)Cn1cnc2ccccc21	408691735	OEKNYCJJFIRVEZ-RCCKNPSSSA-N	449.941	7.029	50	40	IKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccccc1Cl	408691781	PXQIOTLSWYJYRI-MOSHPQCFSA-N	443.934	6.275	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(C)C	408806060	ABOALIIUMXPKDK-CXUHLZMHSA-N	429.314	5.099	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2)c1	408809228	NNOZGRZUUHGKHY-QTCOBDOFSA-N	442.515	5.067	50	40	IKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408868471	OYFMXGAUHVVCGO-AWNIVKPZSA-N	439.231	5.412	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCc1ccccc1	408899249	OOEVEZJJMKORLC-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	408971599	JYDSDHYYOCNQFK-MSXFZWOLSA-N	444.274	5.245	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)c1C	409266457	YXOSPFAUHNEYLI-DEDYPNTBSA-N	443.478	5.006	50	40	IKGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)C3c4ccccc4Oc4ccccc43)o2)c1	2744242	ICOQRPOCBFOORP-JFLMPSFJSA-N	438.439	5.033	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc(C(C)(C)C)c1O	8921194	OZOQBHFRINMSPH-RWPZCVJISA-N	444.579	5.240	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2Br)cc(C(C)(C)C)c1O	16157505	UYVUXEQLFSDTRS-ZMOGYAJESA-N	431.374	5.514	50	40	IKGB	
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)CCCCl)c3)nc2c1	16610952	POUJHNRNBNYLIA-AWEZNQCLSA-N	429.973	5.840	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	28216541	CTCQNNSHFXMMQJ-WJNWYLSZSA-N	429.948	5.518	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c3ccccc32)cc1	33431915	UBZHOBSPVNGXFW-STZFKDTASA-N	435.483	5.351	50	40	IKGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(OC(F)F)cc1	33480873	JLVJIBCBPJWRET-YVLHZVERSA-N	436.414	5.214	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(CSc3nc(C)cc(C)c3C#N)cs2)ccc1O	38557915	ASSJMTURTPBAHK-FRKPEAEDSA-N	434.546	5.097	50	40	IKGB	
Cn1c(/C(C#N)=C/c2ccc(Sc3ccc(Br)cc3)o2)nc2ccccc21	41155273	ANVKWVGYKMZAPZ-WYMLVPIESA-N	436.334	6.144	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	59117043	NRQCSMPROJYHRV-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	408539560	XMLHNTHVKLAPIT-MOHJPFBDSA-N	448.607	6.987	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1	408764051	IEHBMTZRTADTDK-BRJLIKDPSA-N	439.302	5.213	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC(=O)c1ccc(C)cc1	408886933	KFNPUPGCEARKDR-CPNJWEJPSA-N	446.890	5.422	50	40	IKGB	
BrCc1cccc(CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c1	521219282	ROPVQGHXUHBDSI-UHFFFAOYSA-N	442.400	6.663	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc(C2CC2)nc2ccccc12	1244031	YNSAOABEYTYAEB-VULFUBBASA-N	429.911	5.024	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC	1453724	NKSKXERWDFHZBJ-CPNJWEJPSA-N	446.528	5.455	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	4779935	BCZZDRZTVSVECE-LQKURTRISA-N	448.353	6.523	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1	10039812	IWXMYAJUQKVGHH-JWGURIENSA-N	437.568	5.893	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C	35375720	YDMILSYICYIROY-DHRITJCHSA-N	446.532	5.598	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl	58835109	ATOGYNQGYOUPFT-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccccc1F	107846313	JQTKHPPDYQUZJL-ODLFYWEKSA-N	433.280	6.103	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C#N)O[Si](C)(C)C)C1	195775550	HFIRUZWOLLSWDK-ZYDBYGMNSA-N	431.693	6.075	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1	408745852	VYRRUVMTFCSPGS-STZFKDTASA-N	443.503	5.045	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1cc2cc(Br)ccc2o1	408818927	PMASORNLYIZSAJ-KSEXSDGBSA-N	443.684	5.873	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F	408890717	YBJAXBKATWXSHF-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1cccc(Cl)c1	408893181	FYHMUPIAUSTACC-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl	409022317	JPRYFYYUWICXPF-LSHDLFTRSA-N	441.792	6.623	50	40	IKGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1cccc([N+](=O)[O-])c1	1083970526	FWNXPDRDPFQQOI-UHFFFAOYSA-N	441.450	5.129	50	40	IKGB	
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc1	705460	CFBJQWDNUHYWRE-VWLOTQADSA-N	426.564	5.146	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1	3292304	XCXBWVPELZRUPG-LJQANCHMSA-N	429.303	5.704	50	40	IKGB	
Cc1nc2ccc(Br)cn2c1C(=O)NN=C1CCCCCCCCCCC1	8383318	FVGHSAYMXBIBPX-UHFFFAOYSA-N	433.394	5.796	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057367	OQNFSKOUEXMZQI-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
N#C/C(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccco1	9090126	OTVDOBJIPYNKTH-NBVRZTHBSA-N	445.906	5.190	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)c(Cl)c1	39884656	NADDTTUFKIZTKR-FMIVXFBMSA-N	428.231	5.707	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc2ccccc2c1	59334870	OWOXWQVCPZWUBJ-IWIPYMOSSA-N	426.516	5.151	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl	59336203	JAMNFQZRGNSVJF-GHXNOFRVSA-N	442.129	6.411	50	40	IKGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	100071248	SFQSTNCBWQCZGI-RAXLEYEMSA-N	429.332	6.052	50	40	IKGB	
Cc1cc(N(CCCCl)CCCCl)ccc1/C=N\c1cc(Cl)c(O)c(Cl)c1	104138077	MEHCLWMCGUCITK-MXAYSNPKSA-N	448.221	6.822	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1	408583921	YTVPBGLHLRHZHA-VCHYOVAHSA-N	428.290	6.784	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1	408676506	JNYQEDMSCIKGRI-WPWMEQJKSA-N	433.939	5.283	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1F	408874166	ZPMLFXLTEHTTIM-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1Cl	408874899	DZNOFESYVMANGQ-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)cc3)cc2c1	409187466	QSRPHAREWNOELT-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	3236809	CHKJVDZQYJCEMQ-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
C/C(Cc1ccccc1)=N\NC(=O)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc12	4550434	TYUNUIPEGDXIIE-VUTHCHCSSA-N	425.532	5.333	50	40	IKGB	
O=C(Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2Br)C(Cl)Cl	4984618	FBQMZDISRXNNNB-CYBMUJFWSA-N	439.951	6.200	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccccc1Cl	9056565	UQEPOLWSIBMQLW-CJLVFECKSA-N	438.914	6.618	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(Br)c1	9190146	PFFFLORROVUUCX-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccccc2)c2ccccc12	9311510	OUQYAJJSQSEPOR-STZFKDTASA-N	439.946	6.506	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1	32125044	DMKCBOKYIUCZQV-QRVIBDJDSA-N	425.897	5.472	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1	33661653	GROSKRREQVMNPG-ODLFYWEKSA-N	440.459	5.431	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1	408578695	AJMJTXHLVBMYBM-GIJQJNRQSA-N	428.290	6.784	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1	408579242	FGHOMMQFTRYKQV-RQZCQDPDSA-N	449.164	7.943	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl	408585110	AGRHSXVLOANBIG-PXNMLYILSA-N	436.169	7.772	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(N(C)C)cc1	408743195	ZPIBJUDMNWSMHQ-DHRITJCHSA-N	429.351	5.231	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c1	408745378	RDRNSJQYGQUJTJ-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408800403	OZGFGVJUPHYWOD-JLHYYAGUSA-N	431.706	6.761	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1ccccc1Cl	408865034	AQWXRLQKNUMMDZ-OEAKJJBVSA-N	444.962	6.492	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1	408984586	SALZBRJKZKCPRO-XQNSMLJCSA-N	442.946	6.502	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1	409238431	ZYTKUPXCGKSRJN-QLTNSANVSA-N	446.934	5.712	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	409246924	LBMUEOWDLLPHFZ-OIHNEICTSA-N	425.576	6.221	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1OC	409312761	MILWDJIHKURHDF-PKAZHMFMSA-N	432.520	5.135	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1	883437	XFTASIDYUODVTB-RCCKNPSSSA-N	444.462	5.127	50	40	IKGB	
FC(F)(F)/C(=N\Nc1ccccc1)SS/C(=N/Nc1ccccc1)C(F)(F)F	8616260	CEQMAWQVGGCLCK-BKHCZYBLSA-N	438.422	6.344	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)ccc1O	12951381	RZOPCFWZBDPNTC-BRJLIKDPSA-N	445.302	5.051	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)c(C)c1	13174461	SVBVQCATMBIQOH-JOCHJYFZSA-N	449.601	5.166	50	40	IKGB	
CCOc1ccc([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	27298080	HUUWSLPHLZNUNY-MFSJNOQSSA-N	444.579	5.350	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	33795488	NTDUMHFVXICZSE-OEAKJJBVSA-N	433.514	5.725	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc(Cl)c1	59201548	DGQYJHNFKLPNIG-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1	59281898	FYKFMKKTJRIQBZ-HZHRSRAPSA-N	426.516	5.691	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1	59297142	CXJBRGHUSBXPNO-CJLVFECKSA-N	448.478	5.613	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	59335617	ZXLKCLHCPFXAPH-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102926349	IGIGQBBIGXUBDW-JOCHJYFZSA-N	433.533	5.538	50	40	IKGB	
CN(C(=O)c1ccccc1Cl)[C@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1	104159470	OZJXZJZVXXMSIT-VWLOTQADSA-N	449.874	5.718	50	40	IKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)Sc1nc2ccccc2s1	107607962	UANIWCWGGSPDFO-RVDMUPIBSA-N	427.348	5.728	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C	223530675	RQSNCUGJNQWOPF-HDFLIFARSA-N	448.394	5.635	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(C(=O)O)cc1	408541588	DHXARWVRVQXTIN-MOSHPQCFSA-N	434.289	5.790	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Br)cc3)c2)cc1	408581325	WDTRFKLVMXRBKD-DEDYPNTBSA-N	447.332	5.839	50	40	IKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1cccc(Cl)c1	408684284	OPPHGCRBCDRGNB-TZIWHRDSSA-N	443.724	5.885	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)c1	408807810	HTDXAOFTVSSSRH-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C)c1OCc1ccc(Cl)cc1	408855672	GDAVKPOBPSSZKH-MUFRIFMGSA-N	442.946	6.453	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1	408883517	TWQIGWWFTKWFSX-XQNSMLJCSA-N	448.478	5.663	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	408937700	OEROICTUTKOURZ-STZFKDTASA-N	427.460	5.282	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	409255178	HHUNCOWVOLNDDT-XDHOZWIPSA-N	447.878	5.638	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc(C(C)(C)C)c1O	8952131	SKIKJACSAHGRJN-STBIYBPSSA-N	446.591	5.929	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1C	14134609	IDVXSKJCWMFGHZ-MUFRIFMGSA-N	443.978	5.961	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1	14134812	WGGLEWAGBQKOBB-WYMPLXKRSA-N	449.359	5.797	50	40	IKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2C(C)=CC1(C)C	208517930	MZPSESDVXDQUCM-JAIQZWGSSA-N	433.983	6.524	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408537613	GIEIZTCYEVYVLK-SILNSSARSA-N	440.971	6.634	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1F	408813413	QTPBCQBAFIZUMW-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408890152	ORDOQBNRMXUXEG-FOWTUZBSSA-N	446.288	5.016	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)c1C	408942196	XZNAWVUSOZHHIJ-XYGWBWBKSA-N	432.523	6.581	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)cc1Br	409145324	NRZQXXHNWIEXRJ-FSJBWODESA-N	431.717	5.364	50	40	IKGB	
CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	1614467145	VNWWMZKAASJVJP-OCLQPQJISA-N	425.569	5.264	50	40	IKGB	
Cc1cc2c(c(C(C)(C)C)c1)OP(N=C=S)Oc1c(cc(C)cc1C(C)(C)C)C2	3014193	UTIMZIJIKMEOMW-UHFFFAOYSA-N	427.550	7.590	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(OCC)c1	8742550	SPUZRUTUIVSVLK-CXUHLZMHSA-N	445.371	6.978	50	40	IKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1nc2ccccc2[nH]1	9187225	CXIRVXBBEYMRHN-GHRIWEEISA-N	435.462	5.360	50	40	IKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Br)cc2s1	20132986	HYYZXPBUWYOTPB-LBPRGKRZSA-N	448.224	6.074	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccc(Cl)cc1Cl	34888164	CGBXXQCNKHJDMR-PDGQHHTCSA-N	435.329	7.508	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)c1cccc(COCC(F)(F)C(F)F)c1	35679077	GUJICKIIAIGNRK-UHFFFAOYSA-N	444.513	6.494	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OC(C)C	59201617	MIMXILQAIIMUNA-CXUHLZMHSA-N	429.314	5.099	50	40	IKGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	102600465	KOBXKRYHQZGKPT-JOCHJYFZSA-N	449.532	5.320	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21	208193140	AQYQBGGJPZYSDQ-CIKBWMHTSA-N	428.363	6.261	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	408586895	CWEUDZFYNQSMON-DHRITJCHSA-N	430.335	5.102	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1ccc(Cl)cc1	408745555	NUGBQYWWWSJUJS-WQRHYEAKSA-N	432.863	5.193	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)c1	408759681	JNDRGXVCGOKXRB-MIXAMLLLSA-N	437.543	5.599	50	40	IKGB	
O=C(N/N=C\c1cccc(Br)c1)c1sc2cc(Cl)ccc2c1Cl	408968935	DCATZTQDINOEND-ZBKNUEDVSA-N	428.138	5.735	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	409012617	QYPQZNKWPPHCDM-ZMOGYAJESA-N	443.569	5.138	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2Cl)c1	409039257	CCKBGUROZLKMFF-LDADJPATSA-N	443.890	5.871	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NCCCc1ccccc1	409252467	XXCXSIUDUIVTCR-LGMDPLHJSA-N	435.867	5.164	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)cc1Cl	409393556	YMGCOHAUJBOQOF-WKULSOCRSA-N	444.966	5.771	50	40	IKGB	
Cc1ccc(C(=O)NN(C(=O)Nc2ccccc2)c2nc(-c3ccc(C)cc3)cs2)cc1	1415226	GQHCAWSBGNFJLL-UHFFFAOYSA-N	442.544	5.810	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1	1452681	DKYOYYUHCUQGOB-OQKWZONESA-N	448.526	5.792	50	40	IKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2)s1	1905770	CVVRNFHYTLINSK-LDADJPATSA-N	435.936	5.498	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1C#N	2871684	KQYSIPXFXSJHHO-SRZZPIQSSA-N	432.882	6.393	50	40	IKGB	
CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)cc1	8386434	KYDDBVOFTFSESQ-ZTKZIYFRSA-N	429.564	6.293	50	40	IKGB	biogenic
N#C/C(=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1nc2ccccc2[nH]1	9187383	NJDDEUMCVBEULH-RVDMUPIBSA-N	441.853	6.155	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1	11853104	ORAQXDZBTKHAAG-FMIVXFBMSA-N	445.273	5.596	50	40	IKGB	
N#CC(C#N)=C1C=C(NC2CCCCC2)C=C2[C@@H]1N[C@]13CCCC[C@H]1CC1=C(CCCC1)N23	102667171	WUJKFZSNKZMUFF-TXQOIQMMSA-N	441.623	5.426	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1	223171161	IZEJGFPUQWLTJT-YVLHZVERSA-N	440.330	5.955	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3Br)cc2[C@@H](C)CC1(C)C	223543346	FCWXVLBPQMVILH-MMDHUZEPSA-N	442.401	5.714	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OC	408582380	NKFHIEITHARDCM-XDHOZWIPSA-N	448.906	5.439	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	408794585	IZHMFXGKYKDMPP-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1	408796510	OKAFZIUEOZSJRA-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408828672	NLVYRWRJLMGFTO-LFIBNONCSA-N	436.895	5.455	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	408898440	LHLKWQINFHPCBK-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OCc1ccccc1	408899262	OUGJOLBIXKHKDK-XSFVSMFZSA-N	443.459	5.037	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C	408991250	ZLGLCWPUPJIQKQ-UNOMPAQXSA-N	433.895	5.300	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)c1nc2ccccc2[nH]1	409056962	NVBRLHXCPQWHFV-CXUHLZMHSA-N	438.289	6.652	50	40	IKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(Cl)cc1	409372533	ZONDMASRTAATRN-LGMDPLHJSA-N	449.869	5.042	50	40	IKGB	
Cc1cc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)cc2c1	898879	NCQWKQUIBFRIQL-NRFANRHFSA-N	441.922	5.217	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1O	9322186	HFDKPBCKQJKLFN-AWNIVKPZSA-N	435.705	5.061	50	40	IKGB	
CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	100217726	HWIXEHDNWUIRRU-PTNGSMBKSA-N	444.343	6.270	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1	107612464	OYFBILPMCURSNT-WQRHYEAKSA-N	425.862	6.660	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1F	207156508	JFSGONQGLTWAPE-MIDMBNTASA-N	444.506	5.588	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3Br)cc21	208250534	SCJSLNDTDQCIGX-ZGUVFNMESA-N	448.792	5.588	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C	408543753	SURANBVLBPAHDJ-ZDLGFXPLSA-N	449.894	5.000	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccc2ccccc2c1	408549779	YWKMCEXGKIQLMQ-YVLHZVERSA-N	435.266	7.379	50	40	IKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)cc1C(C)C	408859006	UZXSGPGBHIOEFL-LICLKQGHSA-N	427.342	5.744	50	40	IKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408880159	DSLFHYXNUOXETN-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409023058	CFKMKGIJAKKZIA-QNEYSMKTSA-N	449.732	5.790	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	409218052	CLLTULDMWOIIFX-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
Cc1ccccc1N(C(=O)CCCCl)[C@@H](C#N)c1ccccc1OCc1ccccc1	26895967	BBNWZLLUWDAXFW-DEOSSOPVSA-N	432.951	6.191	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	33722715	CPCHPKHVMXGGLT-KNGSKEOJSA-N	439.968	5.875	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1	59536040	QANJYHDJZQWFHW-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1	108212232	YENSQBAVVCNLPH-ODLFYWEKSA-N	431.404	5.155	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc2[C@H](C)CC1(C)C	208317926	QNRTYOQNZWNCEJ-IOFNULOHSA-N	427.976	5.290	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12	245380906	TYGIHYJGPZHSCL-KCPYNUOSSA-N	431.539	5.403	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl	408538938	RTJZXBZTNGFMDE-PDGQHHTCSA-N	431.363	6.807	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1	408580572	CNAPWHVINCKEJS-XDHOZWIPSA-N	448.906	5.439	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc32)c1	408800862	PWBCSSTYPXVLQW-HWHJPCOGSA-N	425.576	5.908	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)c1	408854963	LHRCIPNWICEZAN-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408911744	OKHCWICXUUAJNW-JFLMPSFJSA-N	425.488	5.018	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408951464	IWFLFRVTGAANIZ-POSBYCEFSA-N	441.369	5.305	50	40	IKGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408965866	JKTJOOLHUUSUDO-YUMHPJSZSA-N	449.620	5.643	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OC(C)C	408966426	LOWWGCOEVXVWLB-OPEKNORGSA-N	428.838	5.309	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2O)cc1Cl	408990237	WIWBXSJJZRJTEG-NYYWCZLTSA-N	426.097	5.316	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCc1ccccc1	409023836	RUARDZRIKZKSHK-WGARJPEWSA-N	434.879	5.438	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1	30738575	FEUKIMKQADTXCQ-RUHLTXABSA-N	446.572	5.519	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2Cl)c1	34799603	CIGIYQQYYKCMLO-JMIUGGIZSA-N	438.310	6.643	50	40	IKGB	
BrCc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1	41127378	YTYVSTPQANSERY-UHFFFAOYSA-N	443.138	6.819	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2	58951598	ZNFQWMCHMNQRDV-OPEKNORGSA-N	443.286	5.065	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1	59335648	HLOPVLJCFIGEDQ-KQWNVCNZSA-N	426.491	5.987	50	40	IKGB	
Cc1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(Cl)c1C#N	100225488	ARTSTNKYSFDQDA-UHFFFAOYSA-N	427.875	5.724	50	40	IKGB	
N#CC1=CN2[C@H](C(=O)c3ccccc3)[C@@H](c3ccccc3)[C@@H](C(=C(C#N)C#N)C3CC3)[C@H]2C=C1	245266908	KPMYTGOXYTXWGB-NXBJLNSTSA-N	442.522	5.053	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC	408539082	FFVNYEKLKFJEPA-ONUIUJJFSA-N	430.976	6.160	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1	408797676	SLTKWUSBDHCRGK-KGENOOAVSA-N	444.462	5.127	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2)cc1	408887726	QQMHMGWROCDAAB-XMHGGMMESA-N	446.890	5.422	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc(F)c2)c1	408888967	ACFPPUVSXCKXCU-WOJGMQOQSA-N	434.854	5.552	50	40	IKGB	
CCO[Si](CCCCCCOc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC	627274941	MOBZREQPMDCKCM-UHFFFAOYSA-N	430.486	5.370	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(SCC(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1OC	8462369	HXGNONIDAMWAOE-OAQYLSRUSA-N	426.582	5.158	50	40	IKGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	8863745	ZRAZTGKBZSUJCU-PDGQHHTCSA-N	433.895	5.300	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2c(ccc3ccccc32)o1	16526114	HOZUGVOVSVWZJV-WKIKZPBSSA-N	449.293	6.917	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	32194029	WYHQGEWBBANTEC-MZJWZYIUSA-N	428.410	5.057	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C#N	33572875	QKIAKPPYUXQIFT-UKWGHVSLSA-N	445.862	5.772	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1sc2c(c1C#N)CCCC2	35104998	QVCIAYGTLUTMTL-IWIPYMOSSA-N	433.580	7.124	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1	59335492	MNMMCNIMFDZCHP-QJOMJCCJSA-N	426.564	5.794	50	40	IKGB	
CC(C)(C)[Si](C)(C)OCc1ccccc1N1C(=O)[C@H](N=[N+]=[N-])[C@H]1/C=C/c1ccccc1	195813185	SNBKFPZJRSQSET-XSWAMMJBSA-N	434.616	6.316	50	40	IKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3Br)cc2C(C)=CC1(C)C	208507657	QTWZIRPYTODNCF-ZVHZXABRSA-N	426.358	5.235	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC	408543025	MWVFQYWWZGWKQN-SXGWCWSVSA-N	436.309	5.027	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408885802	AZLSOLLPDXVXLV-CXUHLZMHSA-N	444.749	6.600	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	408984187	IFQJPPBKOMBELT-ZDLGFXPLSA-N	433.895	5.330	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)C(=O)Nc1ccc(Cl)cc1	409064257	CVGKNENOVGBWIR-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	409070568	CHCIJFMKWUCUMS-YBFXNURJSA-N	434.835	5.590	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1	409176633	TYEBGPUQTMXORZ-STBIYBPSSA-N	426.491	5.559	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)c(Br)c1	409225847	MFPUJPAIERQMLU-PTNGSMBKSA-N	443.138	6.844	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(C)cc1	409391639	JAUNBAIJTCSOIV-MYYYXRDXSA-N	427.519	6.905	50	40	IKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	1911489	ARCRLCWVGBYBNV-RDRPBHBLSA-N	438.527	5.400	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	2726991	IMYUUDTZLFYOGG-LDADJPATSA-N	446.337	6.542	50	40	IKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	12590134	KTIRTZPWAIMQJJ-RMKNXTFCSA-N	441.068	5.210	50	40	IKGB	
N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	13751719	YHTXKWYMZBMAII-NTMALXAHSA-N	441.170	7.400	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1	59536062	BVWKTDAFDOSFMJ-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408789842	RYTHTEJOPJRYJY-LFYBBSHMSA-N	440.124	5.619	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C)c(C)c1	408803304	NMIPDTHIOYXBOX-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OC2CSC2)cc1	408863032	KEHOXYREFFOXSM-LGJNPRDNSA-N	446.597	5.134	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	408878053	VZZVOIFVKMQMLO-XIEYBQDHSA-N	432.523	6.527	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408897141	WBFODYQMDQRRDI-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408941105	JTVRXXTWYKYBCV-MYKKPKGFSA-N	445.306	5.255	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc(Br)c3)c3ccccc32)c1	408999109	KFUYSYGXILBTKC-VULFUBBASA-N	446.348	5.524	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3cccc4ccccc34)cc2)NC(=S)N1	409371910	MKMFOMAJZVNAFA-QHCPKHFHSA-N	427.573	5.761	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(c1ccccc1)c1ccccc1	409392561	QSORPGIUYSIVCZ-LQKURTRISA-N	449.337	6.536	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc(C(F)(F)F)c1	1217896	RFFWFHNDMBOXLW-JLHYYAGUSA-N	427.338	5.419	50	40	IKGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)c1	3167398	IUWCWCITHZDCPH-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc1	9244280	LIMQCXJVVKPASX-DEOSSOPVSA-N	448.526	5.751	50	40	IKGB	
COc1cc2nc(/C(C#N)=C/c3cc4ccc(C)c(C)c4nc3Cl)nc(O)c2cc1OC	15906502	GYNYDUUAEJPKKX-LZYBPNLTSA-N	446.894	5.235	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1	101457753	MPBDQNSZOGNPBH-YRDQYSPCSA-N	430.976	5.997	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H]1[C@H]2[C@H](ON1c1ccccc1)[C@@H]1C[C@@H]2C[C@@H]1Cl	245239967	IQANXENRXCCHTF-HLSLCQGSSA-N	432.745	5.084	50	40	IKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1	408718914	VNVRFPXLYOJIOI-RMSITMICSA-N	426.944	5.204	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1	408762384	KCKYORCOQALMAW-RGEXLXHISA-N	433.305	5.574	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1	408782616	XJRXQSQLOCWWIA-WQRHYEAKSA-N	445.282	6.940	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1	408809439	HNYNEXHWFSQLPK-BFERYNQYSA-N	447.362	5.793	50	40	IKGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408857452	GUKBRQAJQOTVIO-OVVQPSECSA-N	431.605	5.275	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1cccc(F)c1	408880222	FEFBRIBANWHSCR-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1cccc2ccccc12	408888043	SDKVREYSRGQGJS-KGENOOAVSA-N	436.442	5.744	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408963102	AAHAUYTWCRJCOB-RMORIDSASA-N	444.230	5.672	50	40	IKGB	
C=CCn1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409038950	WEODYLFLEJCJBP-RDRPBHBLSA-N	430.511	5.806	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1	409196247	YARYCMCAAAVURD-YVLHZVERSA-N	428.891	5.032	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)o2)cc1	2774219	ZEBNPVTZXGTJDT-QGOAFFKASA-N	434.879	5.631	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1)c1nc2ccccc2[nH]1	8854890	SBFJXFYRXUPGQI-NTEUORMPSA-N	435.817	5.778	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	9202514	YVNYOGZLIDQVOT-VULFUBBASA-N	446.348	5.524	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccccc1	13923326	QTNYQACMKYQELP-TURZUDJPSA-N	439.515	5.219	50	40	IKGB	
CCC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1	20132599	XKSUPQBZUYPWEG-SSDOTTSWSA-N	426.561	5.214	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)ccc1OCc1ccccc1	96399864	XUOSJOGWQJKBPD-QNGOZBTKSA-N	435.483	5.368	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)[nH]c2cc1C	408543785	QKWXEFDUJLYUNC-UCQKPKSFSA-N	441.538	6.427	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)ccc1Cl	408598975	MPEYUBVFHDBLTI-VULFUBBASA-N	432.863	5.304	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	408707927	MQFACUWEMUEHMD-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1	408808612	JQJLPBPGNLPBRB-PQBXMXABSA-N	432.523	6.203	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1C(=O)O	408893916	GWMSSZBEDMGIIC-LDADJPATSA-N	432.863	5.163	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	408968766	YUJPULXTPNHKMB-KKMKTNMSSA-N	425.332	5.279	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)c1ccccc1	409073865	JABPBXQOHHXRKL-GZTJUZNOSA-N	430.312	5.825	50	40	IKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	409185007	PFHJJMGJMJZABG-DHRITJCHSA-N	437.908	5.162	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409212954	NNEGKXAMJLSXLQ-PDGQHHTCSA-N	444.447	5.035	50	40	IKGB	
CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc1	705461	CFBJQWDNUHYWRE-RUZDIDTESA-N	426.564	5.146	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)cc1	2279991	NPYGIGPYKYHGCC-JVWAILMASA-N	434.923	5.621	50	40	IKGB	
O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1ccccc1Cl	15975707	OQPJFQWDVORIAD-UHFFFAOYSA-N	442.771	5.371	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc2ncccc12	33330008	WGZHCVMUAKFOIG-KAMYIIQDSA-N	434.282	6.347	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1	59447333	OYHGYNYQDBZXCS-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-c2ccc(Cl)cc2Cl)o1	95117823	BLLTUBIJWREBHV-BRJLIKDPSA-N	425.271	5.876	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(/N=N\c2cccc(C(F)(F)F)c2)ccc1O	101393796	HUIZMHLGQXOBFE-BDBOHGHRSA-N	426.398	5.519	50	40	IKGB	
CC(=O)OC/C(=C/C#N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118932862	GLGIQLSIIQHBKV-QAGFMFLASA-N	439.596	5.510	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	223475860	IZXKGPDKWOGWIT-LGJNPRDNSA-N	430.379	6.168	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc21	223490523	SAWIAOVMPGTRQG-NHDPSOOVSA-N	435.575	6.105	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408555263	WPPUJXRAKDLNJU-NBVRZTHBSA-N	441.581	6.195	50	40	IKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1	408579611	IQMGCWKYQHKKFG-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1	408581923	ZYNPWOSNCRWMLP-RQZCQDPDSA-N	449.164	7.943	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	409240115	OOBVIFQKBFHQPN-GZQZNAIASA-N	443.341	5.031	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	409381627	HZWKNDXHSJTZOZ-ZDLGFXPLSA-N	427.335	5.497	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc1	1011407	JKFSPYNMBYVWDF-JFLMPSFJSA-N	438.439	5.397	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1F	2336357	UFJDGVNAOOEKPC-LDADJPATSA-N	434.492	5.585	50	40	IKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1	17101747	HUVCGRHJKGOWHS-DHRITJCHSA-N	437.908	5.554	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	28216427	SWUFFZZVVNGJRC-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)c1	28217015	GNTZNGNXNKEYEH-MFKUBSTISA-N	425.985	5.688	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1cccc2ccccc12	59334869	NXAZUMMTAVBZOA-HAHDFKILSA-N	426.516	5.151	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C	118924094	WTPUAOBDIFVQRT-VFGXHBSASA-N	449.163	8.652	50	40	IKGB	
COc1ccc(C2(C(=O)Nc3ccc(OCCBr)cc3)CCCCC2)cc1	225558685	VDDGPKCSJSCDRL-UHFFFAOYSA-N	432.358	5.310	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)cc1	408726047	RRFJGITZMDYCBH-VUTHCHCSSA-N	446.510	5.465	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(O)cc1	408747351	MTVXMLAYAAPLRP-ATVHPVEESA-N	436.309	5.108	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1	409309571	JDGFVGJFIUMPIS-HMAPJEAMSA-N	436.467	6.400	50	40	IKGB	
O=C(CBr)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12	1671673	DHLKYNXYVQALRC-UHFFFAOYSA-N	436.736	6.800	50	40	IKGB	
CC1=C(C#N)C(=O)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	16742263	METOTMNCNIMPNW-FYJGNVAPSA-N	428.875	5.705	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1	28215989	DMDXBUROSIIVPV-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1	33690302	JCWISEOMJLROIK-ZMFRSBBQSA-N	439.298	6.179	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12	59536000	HFDMHFSDDJOBFS-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(C(F)(F)F)c1	59921588	VPUHVOARZWWIMV-YSURURNPSA-N	437.761	5.291	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2[C@@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1	100888645	IQANXENRXCCHTF-ZOKDYTSGSA-N	432.745	5.084	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)cc1C	104145827	RQRTUHWILLYRII-JOCHJYFZSA-N	449.601	6.006	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	108199534	BQFYOELXNZKZMO-KQWNVCNZSA-N	440.493	7.016	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1	207151730	IMRJQQXIZKNQAT-ZHZULCJRSA-N	432.907	5.863	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408569633	OXHQBKJBLMVBOK-YBEGLDIGSA-N	446.869	5.437	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1C	408587292	FFCPNIRPQCEELO-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1	408772995	OFRCZYFAAYQSMS-PGMHBOJBSA-N	438.914	6.618	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408800232	OAWXTVZIFHUYOR-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC	408813029	DFMKDQSWPMYZHE-NTEUORMPSA-N	447.716	5.222	50	40	IKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408813607	OLJLKNPUOGSKEB-SAPNQHFASA-N	433.305	5.713	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OC	408983155	LAIACOZYTCBQPW-AUWJEWJLSA-N	449.732	5.364	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)c1	408985866	NSWDIGYWUQOXHN-XSFVSMFZSA-N	428.488	5.137	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1	409046772	LZQNRDFVXNWZMA-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc2c(c1)OCO2	409360412	FIBOBVVCUNWNTQ-UCQKPKSFSA-N	428.491	6.636	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccccc1Cl	409393891	SXDBKUPQGRXVQW-UCQKPKSFSA-N	447.937	7.249	50	40	IKGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1	714740	XJUYGWMEUGOOOV-HSZRJFAPSA-N	440.572	5.193	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cncc(Br)c1	1434526	YDBDZARCKDMDRW-LSFURLLWSA-N	439.096	5.175	50	40	IKGB	
O=C(c1ccccc1[N+](=O)[O-])[C@H](Br)[C@@H](Br)c1ccccc1Cl	1745308	WFMPBHSYBWGRIW-UONOGXRCSA-N	447.510	5.331	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1	4289989	XHKAVUDSPSZZIE-LDADJPATSA-N	432.932	6.601	50	40	IKGB	
COc1ccc(Oc2coc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)cc1	6162619	IRADOFQIRSMPBA-QGOAFFKASA-N	439.423	5.106	50	40	IKGB	
Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)c1	9659450	OJZDZCOPLRNHHJ-MTDXEUNCSA-N	431.536	5.125	50	40	IKGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CSc2ccc(Cl)cc2)cc1	20785173	KHOZRGYAEUVZSM-YDZHTSKRSA-N	425.897	5.304	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cc2ccccc2o1	33571949	JWUHLEOVWJEWAQ-MWLSYYOVSA-N	439.902	6.455	50	40	IKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	59116681	FIPREAQCLVIXNE-DEDYPNTBSA-N	447.332	5.882	50	40	IKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc2c(c1)CN(c1ccccc1)C2	83328060	AKJCSLSHSWKXLT-MNBJERMJSA-N	441.534	6.277	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1	408548807	LMVCWFUXBLWPCC-CFRMEGHHSA-N	425.915	7.145	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C)c(C)c1	408856450	KETDHPSEWFDVLS-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1C	408880557	JQNNCGYTZUOHQU-CIAFOILYSA-N	435.354	6.747	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccccc1F	408885258	YRWZBHNNSPEKBC-XMHGGMMESA-N	435.296	5.725	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408888375	UXPMHIWXBMLXJN-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12	408895608	LRFMVABJUJXOOQ-MTDXEUNCSA-N	438.483	5.222	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)c(C)c1	408937996	RJXXNYXDCYDQQU-BKUYFWCQSA-N	438.449	6.272	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Br	409047203	NSBZWJPILUJEMP-KPKJPENVSA-N	448.114	5.816	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1	409221807	VFUFOEJUIUMZEA-YPFLROGLSA-N	441.531	5.055	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	409364818	MHAYKIFVWHUAPH-HAHDFKILSA-N	425.915	7.145	50	40	IKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)n1	9262036	CEYLHIFFVZTYRJ-FSJBWODESA-N	442.997	5.140	50	40	IKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(N(CC)CC)cc2)nc1-c1ccc(C)cc1	27016830	AHUIUBIJZSNSOZ-LTGZKZEYSA-N	444.604	6.377	50	40	IKGB	
CCCN(CCC)c1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1	33667783	LMROVSIYOLMAFP-STZPCZCHSA-N	446.620	6.212	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)[nH]c2c1	33751376	BBDAMEZKQAXIOI-KQWNVCNZSA-N	438.534	7.092	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1F	59198844	YZYYUPOTUQHWCE-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc(F)c1	59232998	XUMNVIXDDYGTMW-MOSHPQCFSA-N	446.478	5.358	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OC	59474919	AVBUGLUROCAVAB-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	100195044	UUEDHKQXPMLPBS-NHDPSOOVSA-N	449.470	5.182	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)C3=C(O)CCCC3=N2)cc1	104099090	QYUMVUHPAXJSGL-XMMPIXPASA-N	443.572	5.945	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)oc12	223478254	PEKBIKIFMXBIAG-JFLMPSFJSA-N	431.536	5.616	50	40	IKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	408539821	ZDXFWYHDFQGWBI-RGEXLXHISA-N	437.496	5.498	50	40	IKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408755609	RAWPEVFZFZXLGF-SSDVNMTOSA-N	433.689	5.135	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1	408799088	XYSRQKSCRMRVAH-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1C(F)(F)F	409166460	DVWZNQGDKSLIKQ-OPEKNORGSA-N	446.256	5.271	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C)cc4)cc3)cc2c1	409188876	HCJZIZMVHISELR-YUMHPJSZSA-N	428.488	5.483	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)c(C)c1	409259964	ILDGDTBJEYYOBL-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Cl)cc1	409358463	UOMZNWMPCKVZPF-LCYFTJDESA-N	429.657	6.335	50	40	IKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	1905908	GPQXSICLTVMWSE-QGOAFFKASA-N	437.952	5.722	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=O	9111146	IUWMIEHFNRVMLN-LJQANCHMSA-N	442.327	5.553	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	9908351	IBVIUXFIMDWRBS-MVLZHVRDSA-N	449.598	6.241	50	40	IKGB	
C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1cc2ccccc2o1	12562120	XYJHWODXKPMYTA-HYARGMPZSA-N	431.355	5.445	50	40	IKGB	
Cc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3CCCCC4)N2Cc2ccccc2)cc1	15906430	SFYAFGAVSINRFR-ROMGYVFFSA-N	439.588	5.753	50	40	IKGB	
CCOc1ccc(N[C@@H](CC)C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1	32705967	FPAQNMURZGMFLD-OIZLQNDXSA-N	431.536	5.005	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3Cl)cc2)cc1	33352159	NPYGIGPYKYHGCC-YUMHPJSZSA-N	434.923	5.621	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	59334265	FRPSTOWGMVINEP-NSIKDUERSA-N	439.726	5.230	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	108068510	YYDKPHSZBNNNAK-OGLMXYFKSA-N	434.967	5.909	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	408539358	VUXVKOZZDYQBHQ-JWGURIENSA-N	438.999	7.242	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(C)c1	408785487	GKONSGXOZFDQEY-KQWNVCNZSA-N	425.576	6.554	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1	408788979	NOGIPZDKTWAOHY-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408804366	DZAJUKHSBUZZLM-NTEUORMPSA-N	431.706	6.761	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Cl)c2)cc1	408871402	YYEDCQGXADKHMT-ZVHZXABRSA-N	428.963	6.656	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1F	408877760	YIMMFAOEIIZJBN-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)cc2c1	409186358	AVZOKNJUPOZBDM-CFRMEGHHSA-N	433.420	5.072	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)cc1Br	409266552	ZXAGQSROPDCZEA-CVKSISIWSA-N	447.332	5.864	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc3ccccc23)c1	1439441	CFXINTKDVNNGQE-CJLVFECKSA-N	432.479	5.913	50	40	IKGB	
Cc1cccnc1N[C@@H](c1cc(Cl)ccc1O)P(=O)(c1ccccc1)c1ccccc1	2163389	GZYQHNMOZYRGBZ-RUZDIDTESA-N	448.890	5.874	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	59137900	KXYHUIVNEURWHB-UVTDQMKNSA-N	429.328	6.592	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	59333921	XQNSNYICRLXRST-UNOMPAQXSA-N	435.321	5.176	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccccc1Cl	106117070	SEIMQPKMESDHJF-STZFKDTASA-N	426.903	6.414	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	107715889	IMCNKKVJWZUUSJ-ZMFRSBBQSA-N	448.862	5.224	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1	408788669	LZGJJYAJXCWEDE-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409228268	WONAQNXODODGOO-CIAFOILYSA-N	443.909	6.336	50	40	IKGB	
CCOc1ccc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	658783	HUUWSLPHLZNUNY-WWEVIYMKSA-N	444.579	5.350	50	40	IKGB	
N#C/C(=C\c1cc(Br)c(I)o1)c1cccc(Cl)c1	9323436	BNFQLAQHQPBRRX-WEVVVXLNSA-N	434.458	5.364	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1cccc2ccccc12	12657576	YUOFQXXAYFLIPS-PXLXIMEGSA-N	435.483	5.491	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1	20195436	CIQWWPFMYZYNKV-CCVNUDIWSA-N	427.470	5.423	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(SCC(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1OC	23114502	HXGNONIDAMWAOE-NRFANRHFSA-N	426.582	5.158	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	33383094	KLCLOWMAZXWQIM-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1	38680116	MULGNBQSALRYLW-OAQYLSRUSA-N	434.854	5.225	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C=C(\O)c1ccccc1	101584886	IALJDHYWSTTXHM-WIVUSXNWSA-N	428.661	7.949	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1	408549431	SSEPZMXUFXRLEY-MYYYXRDXSA-N	439.942	7.535	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1C	408592506	YTBSWSSVUJHGCX-MUFRIFMGSA-N	427.523	5.447	50	40	IKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408835736	YFCOTCSPIATECB-SFQUDFHCSA-N	446.890	5.068	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(F)cc2)c(C)c1	408854079	XCLJSQNLMZWVLP-CIAFOILYSA-N	448.925	6.529	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	409047142	MYEXSUFGTCOKNW-PCLIKHOPSA-N	437.337	5.111	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1C#N	409394064	VDEJGHLJIQWZMR-FBHDLOMBSA-N	432.882	6.393	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1cc2cc([N+](=O)[O-])ccc2s1	33718476	STNZXFGVOGJEJC-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1C	59201462	FPCIMENIFZDQMG-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)oc12	223504583	LKKUSYAPBVZTDL-RWPZCVJISA-N	445.563	5.924	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223557103	IUFGQYHCHRYJKI-SYERDGIWSA-N	435.999	6.695	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C	408587479	GHTFKHMXYJAWEL-LQKURTRISA-N	429.951	5.902	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Br)c1C	408744479	LKIUBSRFPLLQDD-UYRXBGFRSA-N	434.337	5.711	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	408788697	MBUXGGXIYVQSIC-XNTDXEJSSA-N	441.712	6.217	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	408794692	AVIYXSPUZIRPEF-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1	408876855	QSJLTPOTSCOQPJ-UDWIEESQSA-N	449.323	6.033	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	409235606	PGEQYZHGBAYPNF-RDRPBHBLSA-N	425.507	5.593	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)cc1OC	409326502	LBNPZXLOHTWUOL-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)C3=C(CCCC3=O)N2)cc1	2342540	YLBSAHZBGGPBMX-XMMPIXPASA-N	443.572	5.104	50	40	IKGB	
O=C(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccc(Br)cc1	3157231	NURZGIQYHBZOMU-UONOGXRCSA-N	446.964	5.532	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1	3266557	MHTPBAVYGMQKPA-HIXSDJFHSA-N	429.523	7.011	50	40	IKGB	
N#C/C(=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	9763842	VJFCGTGTHNBIRB-CYVLTUHYSA-N	443.890	6.346	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(F)cc1	16400144	IEJHJTRGXYAMNB-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
CC(C)[C@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1	20133358	LTBYNWIHLSKNLI-VIFPVBQESA-N	426.561	5.070	50	40	IKGB	
CCOC(=O)/C(C#N)=C\c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1	33926591	WWNKCKILGBXFER-KXWHLFNRSA-N	447.538	6.177	50	40	IKGB	
C[C@@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	43677057	FRPJXPJMRWBBIH-YPSHPOCOSA-N	440.411	5.182	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1	59297173	RCYNBCNVIGKZMB-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	98001601	OVIOZQMCQKMBGC-NHFJDJAPSA-N	440.584	5.987	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Cl)cc1	408549735	XXSRGITYKFEHGG-UQQQWYQISA-N	432.954	7.869	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	408720242	WQYUXDRBTMYKPZ-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408797982	USCVEWVFZLYLKM-IZZDOVSWSA-N	426.097	5.310	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1C	408800695	OPAUIELUDFBVQY-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1cc(C)cc(C)c1	408871848	YFFKXRIVIQOPNZ-CVKSISIWSA-N	438.571	6.455	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl	409055534	ZHEFYBCQCQFOKP-RPPGKUMJSA-N	431.294	5.784	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(=O)[C@H]32)cc1	1254937	XQJWOLBBKLYMNY-PKTZIBPZSA-N	436.964	5.925	50	40	IKGB	
N#CC1=CN2[C@@H](C=C1)[C@H](C(=C(C#N)C#N)C1CC1)[C@@H](c1ccccc1)[C@@H]2C(=O)c1ccccc1	2275225	KPMYTGOXYTXWGB-DQFDVREHSA-N	442.522	5.053	50	40	IKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1c(O)ccc2ccccc12	3091722	UZGHCUUCYZZUMN-AFUMVMLFSA-N	433.305	5.154	50	40	IKGB	
CCc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1	6821883	PYQGIIQARQEZNJ-MOSHPQCFSA-N	434.520	6.696	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC	33772275	VCLIGUXIIABUIW-JHAVZTMOSA-N	439.737	5.052	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1	39884627	OXHNYQICLVRKOC-JLHYYAGUSA-N	442.258	6.016	50	40	IKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC	408541054	DLNWOOQPIGHFQG-OLWAXZHHSA-N	430.298	5.397	50	40	IKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	408570380	UKTWIKTZYPETTJ-ZMOGYAJESA-N	442.537	5.093	50	40	IKGB	
Cc1c(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc2n1Cc1ccc(F)cc1	408589288	LEYFKMWYVLOOHC-AFUMVMLFSA-N	441.597	5.174	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408825254	RTEHELCGLYXDLP-LTGZKZEYSA-N	444.918	6.029	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408831539	ZTOGMMFVDOPSPG-LTGZKZEYSA-N	446.934	6.253	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)[nH]c2cc1C	408850394	MWOBEUMTWXXSLD-ZDLGFXPLSA-N	444.922	6.003	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1	408901060	ZSUXGDPLKHCQBV-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COc2cccc3ccccc23)cc(C(C)(C)C)c1O	409020383	OSZCQWLAFGHQJX-NTFVMDSBSA-N	432.564	5.670	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)ccc1OC	409318420	VOMXUSQOVCFFSI-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	33567851	IBPAVTCBXHMEFM-GHXNOFRVSA-N	425.204	5.022	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	96399178	HZGKTANJVIRHMA-VYYCAZPPSA-N	445.866	5.012	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)cc2Cl)c1	106120283	QCGBXENEBYONFH-GRSHGNNSSA-N	448.353	7.130	50	40	IKGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	226334454	CLYGZHKCOIWOHA-XBXARRHUSA-N	430.523	5.569	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1	252489209	JKTYDBGPJONKBM-XNTDXEJSSA-N	430.813	6.473	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	408567601	OUAHPJFDDWKHOZ-AFUMVMLFSA-N	439.899	5.499	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408811712	KPSCZRXBXMAVIM-XSFVSMFZSA-N	439.490	5.691	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1C#N	408843290	DCZRMWXNQOMXCL-NTFVMDSBSA-N	439.471	5.046	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)c1	408844917	DLFHLZDYTYIOOW-OEAKJJBVSA-N	444.962	6.698	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccccc1Cl	408905281	WPBRXTIVVPYEIB-MSXFZWOLSA-N	436.855	5.166	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCc2ccccc2)cc1	2081155	CPQHMEXYTYBFSB-WGOQTCKBSA-N	441.443	5.198	50	40	IKGB	
CN(C(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)N(c1ccccc1)c1ccccc1	2192398	LLSAIJYPDYFRSI-UHFFFAOYSA-N	444.481	5.412	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)F)CC[C@]4(C)[C@H]3CC[C@@]21C	4782947	VHEUYXQCGHLVPE-JDTILAPWSA-N	432.664	8.503	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc(C(F)(F)F)c1	33765738	OKUUEOCCGDFCNP-WQRHYEAKSA-N	449.432	6.233	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	59201947	AURSOSDEVODIEZ-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	100931512	IBTWECHSINFSSB-FMIVXFBMSA-N	440.277	7.112	50	40	IKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3Br)cc2[C@@H](C)CC1(C)C	223528108	ANBUPMHAWJYTHK-BGHCKBSUSA-N	428.374	5.325	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1	408795415	LSSQWUHRCFAUAN-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1	408804412	FPVNYXCATJYYAE-XDHOZWIPSA-N	448.906	5.482	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc2ncccc2c1	408967016	PFAOEQLIXABXOL-VULFUBBASA-N	447.336	5.169	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2c(ccc3ccccc32)o1	16526102	OTCFSWCRMBRLCQ-UVHMKAGCSA-N	449.293	6.917	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1	20764794	OQSOXTFHXVWHGM-WPWMEQJKSA-N	432.520	5.135	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	28216197	OPWHYYNRDIJFTP-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
CCCCCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1	102955892	KHTIMKIQDLFDLC-DARPEHSRSA-N	446.660	8.660	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	108990561	JUEYHYMMBRSREJ-QNGOZBTKSA-N	440.886	7.045	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1Cl	408539417	HIGHJSBVCGYQOU-QQXSKIMKSA-N	435.395	6.805	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc2ccccc2c1	408548497	HUXALDVOYZLQMJ-FMCGGJTJSA-N	430.334	7.790	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl	408599059	OCPQZEOZOLDUIF-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	408733892	CFUVSUHGGULEMR-OEAKJJBVSA-N	439.946	6.755	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C	408762921	LUGJQXXFWPSCAQ-MOSHPQCFSA-N	448.364	5.965	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1	408951576	JEHNQMDHVULVDZ-WTKPLQERSA-N	444.510	5.312	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)NCc1ccco1	408998301	UGGJFGXWCUELQS-MDWZMJQESA-N	431.673	5.179	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccccc2)c1	409056113	KUARNISVMBRRGB-DEDYPNTBSA-N	447.332	5.839	50	40	IKGB	
COc1cccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1	409144203	JYGZRDBNSRVUFD-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1Cl	409261182	BONRGUWTQJWANS-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)ccc1OC	409321169	GUYJBYTZHGBHJJ-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(I)cc1	409373015	VCHUVDASACNUHM-KAMYIIQDSA-N	441.224	5.314	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccccc1F	409376105	UNBVWOABSGGONR-RGEXLXHISA-N	425.463	5.388	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cccc(F)c1	409393632	ROFUMBDTQIVMMK-ZDLGFXPLSA-N	442.715	6.885	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1	1191694	CLZFCKQJFNIHEJ-XIEYBQDHSA-N	447.538	6.315	50	40	IKGB	
CCn1nc(C)c(/C=N/NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1C	2109257	WHJORLHBHWQWRP-JFLMPSFJSA-N	425.536	5.116	50	40	IKGB	
CC(C)Cn1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)nc2ccccc21	2711802	KUCDXOIMDZAAEB-STBIYBPSSA-N	447.542	5.671	50	40	IKGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Cl)cc1	6444662	VIMSJCVLLFDUTE-YSURURNPSA-N	438.862	5.252	50	40	IKGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1	8861124	PHHBNGMJPZGBBE-JVWAILMASA-N	436.427	5.176	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1Cl	12622455	ZNKFZLLRYITRQO-LICLKQGHSA-N	431.319	5.110	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc2ccccc2c1	33659879	CWRARSXWSBMVLH-MWLSYYOVSA-N	441.530	7.645	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1-n1cccc1	33669815	MNDGBTRJHVGTGU-WPWMEQJKSA-N	429.907	5.474	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)cc1	59335911	TYJGGJVYYTUNIN-LFIBNONCSA-N	444.749	6.600	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	209483217	CHWCSLHWXOCWSU-SRZZPIQSSA-N	433.891	5.998	50	40	IKGB	
Cc1c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccc(F)cc1	408588897	WYNXVDRWCSPOAK-XDHOZWIPSA-N	435.329	7.508	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c1C	408605859	YXYWWNDBYOHOGY-UYRXBGFRSA-N	434.898	6.221	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1cccc(C)c1	408747204	KLMHSPHTLIVFMV-UUYOSTAYSA-N	446.934	5.459	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1	408765095	WIMAKGSLUJUXGN-NDENLUEZSA-N	448.364	6.019	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	408776868	RNCUQPGKVBMTLZ-NDENLUEZSA-N	449.348	5.613	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1	408816438	YTTPVGQMQXUPED-WRNUTHQKSA-N	445.994	6.253	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1Cc1cccc(F)c1	408868431	QCWRNYTZUTZTQO-HZHRSRAPSA-N	428.507	5.923	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(OC)c2)cc1	408877574	XAFUJARKIUVNSO-HYARGMPZSA-N	430.935	6.047	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1	408933530	APLWPPJQIASTMO-STZFKDTASA-N	444.462	5.127	50	40	IKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	3079722	OOLUIKCNYJWGNE-PCLIKHOPSA-N	438.936	5.192	50	40	IKGB	
O=C(NNC(=S)Nc1ccccc1Cl)c1cc(-c2cccs2)nc2ccccc12	3231825	KQXPUBUKQQIOJN-UHFFFAOYSA-N	438.965	5.248	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1	9281993	DHNJOBAPKZRHPO-QGZVFWFLSA-N	427.291	5.000	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccccc1F	9292853	KRFMPBRIPUUERF-QFIPXVFZSA-N	438.462	5.013	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	9693292	RCMKIMBWAQGJRF-GOSISDBHSA-N	427.982	5.281	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	9948743	ASUZAJDUZPDOGZ-KVGCDDTPSA-N	431.492	5.406	50	40	IKGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1ccccc1Br	10060117	RBDSSXKNMMXNBW-ZMOGYAJESA-N	443.728	5.163	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(Cl)cc1	14134335	AJIWWEXEXSFBRJ-MUFRIFMGSA-N	437.930	6.260	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1	30738514	PEFJUZUGYKELQB-DZAWMCJLSA-N	430.504	5.050	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)Sc1nc2ccccc2s1	34879977	COTQBJWHBYZMIO-CPNJWEJPSA-N	434.973	7.185	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	35351167	ZRBBYEUKOFWRDH-RGEXLXHISA-N	441.369	6.262	50	40	IKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)=N\NC(=O)c1ccc2ccccc2c1	100089731	FYQRRHOASKCTLD-XODNFHPESA-N	447.844	5.647	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	408539632	IYAZELAEFMQQHX-JLPGSUDCSA-N	431.920	5.751	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc(Cl)c(Cl)c1	408585845	JHXXDCKKBYLTSF-RGVLZGJSSA-N	428.322	6.932	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccccc3F)c2C)ccc1Br	408904161	FSGPTBMBJZEHAX-MSXFZWOLSA-N	443.320	5.460	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(Br)c(Cl)c1	409189988	PEGAWASTZBMUIP-YBEGLDIGSA-N	446.776	5.476	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc2ccccc2c1	409194998	RZDDOIHUMYJKGB-UCQKPKSFSA-N	426.516	5.393	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)cc1OCC	409333330	OIXHXDWVOSBYPY-CFRMEGHHSA-N	437.323	5.120	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1	2275344	IZBUIOQDSMMMFM-SDNWHVSQSA-N	427.685	5.908	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1	34781996	NUPYPMHBNMWFBD-NDENLUEZSA-N	434.879	6.290	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	59272384	JSCAXJIFOVBQGI-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12	113833739	LZXDIHIXMJCFIV-PXLXIMEGSA-N	431.495	6.368	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	208462800	BCLIMDHTHRQQOU-OPEKNORGSA-N	436.770	6.042	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)cc1	408566992	CCUHPHUGQIQYGF-AQTBWJFISA-N	429.451	5.983	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1	408583122	RSDVYVYWEKCNEL-HZHRSRAPSA-N	425.915	7.145	50	40	IKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1	408767807	OSUXYLLCLOQQGH-CYVLTUHYSA-N	449.406	7.805	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2cccc(Cl)c2)c1	408799990	MLIXMAADPBVQQD-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cc(C)cc(C)c2)c(Cl)c1	408890956	IYODVCHQMPNNQW-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)o2)c1	408997198	LVHMNILQUOSCCF-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	409177024	AZGKPYHRBQTCHM-WPWMEQJKSA-N	436.540	5.447	50	40	IKGB	
O=[N+]([O-])c1ccc(/C(=C\c2ccc(Cl)cc2Cl)S(=O)(=O)C(Cl)Cl)o1	1565722	DDMHWJJTZZQSMT-VZUCSPMQSA-N	431.080	5.169	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O	4077633	AUYHRBSFAAXJRB-MUFRIFMGSA-N	443.934	5.352	50	40	IKGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1	12560592	FDXPGPQSMJMXIJ-LQKURTRISA-N	429.907	5.718	50	40	IKGB	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	13324316	OMMBRKKVVBNUJJ-LIFFMEMSSA-N	431.923	5.236	50	40	IKGB	
CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)N=[N+]=[N-]	195883308	MALQUZUDYJXZJI-DWVLVAQTSA-N	439.761	8.305	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	408743580	GVMQRKAYHCBNAN-JWGURIENSA-N	435.527	5.942	50	40	IKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408790458	WKMCBBNWQDQJMS-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	408817148	VJSLVKSRGWNXDJ-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408840121	BGJJXUAIRDXZFV-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	408845492	FWFIWZGHRWAPTL-SSDVNMTOSA-N	437.124	5.311	50	40	IKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	408865438	CKCDMZGGNJZXAR-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408891059	KQQRETWOCKJJDM-MDWZMJQESA-N	442.258	6.016	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1	408987589	FVMXWPIOSUVOND-UYRXBGFRSA-N	447.878	5.681	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)c1nc2ccccc2o1	409057746	QQDQTHGTXKNJHW-CXUHLZMHSA-N	439.273	6.917	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1cccc2ccccc12	409189468	GXNAMORPQRXQKL-JCMHNJIXSA-N	426.516	5.393	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1OC	2629911	KQOHULHHINQHCR-AFUMVMLFSA-N	440.952	5.413	50	40	IKGB	
Cc1c(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c(C)c1COc1ccc(F)cc1	2789012	QIAPZOVHNWPTCO-VWLOTQADSA-N	446.522	5.453	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1N1C(C)=CC(=C(C#N)c2nc3ccccc3s2)C=C1C	3198578	IWGLAWDVROYGJD-UHFFFAOYSA-N	430.489	5.818	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)C(c1ccccc1)c1ccccc1	16136812	QOZDNHNSBJAQLI-OGLMXYFKSA-N	449.938	5.001	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1	17170427	NTDJFHHFHKFZMX-UKTHLTGXSA-N	449.875	5.275	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1cccc2ccccc12	58871189	NULPVXVTBKFBQA-WGOQTCKBSA-N	430.529	5.643	50	40	IKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	59483844	HAHWVIDFXCMQGG-AFUMVMLFSA-N	434.367	5.550	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc2ncccc12	100830415	YJNQHJNFPBGVEN-SDNWHVSQSA-N	444.834	5.602	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	108266217	WQWHHOKZACAPIS-QGOAFFKASA-N	444.934	6.383	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	208248432	PPPVZYMOFSSRGR-UQJRAWQTSA-N	444.362	6.226	50	40	IKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2[C@H](C)CC1(C)C	208330347	VYZHQCPRIDOIKJ-HDOAHBKWSA-N	435.999	6.615	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408567925	QOIJXDTWNKASNJ-PXNMLYILSA-N	438.289	6.652	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)Cn1cnc2ccccc21	408691635	JMMISPUENOPMLU-BOPFTXTBSA-N	434.326	6.529	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	408743508	ASIPKOKBQIIFQC-QJOMJCCJSA-N	434.495	5.973	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)cc1	408790907	RYGBCFQXLUGSKG-XIEYBQDHSA-N	448.522	6.363	50	40	IKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408880560	JREWINZXNNPIRZ-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1	408892596	CEPWVNMKUJSAPA-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c1	408898188	VMRASGBUKCBXCJ-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409366036	SKHGYZHPDAJXFJ-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC3=C2C(=O)CCC3)cc1	2212788	LZIXVTFSNPHEFT-DEOSSOPVSA-N	443.572	5.104	50	40	IKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1cccc(Cl)c1Cl)c1ccco1	2577837	CXUOKPLGGQRETL-QHCPKHFHSA-N	442.282	6.711	50	40	IKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)o3)c3ccccc3n2)cc1	2769453	SOFNUOLEXYYXRX-ADXYVXIDSA-N	440.547	5.838	50	40	IKGB	
N#CC1=C(N)S[C@@H](c2ccc(Cl)cc2)[C@@](C#N)(C(N)=S)[C@@H]1c1ccc(Cl)cc1	3073433	YCSVQCWWFNNSLM-UWVAXJGDSA-N	445.400	5.055	50	40	IKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1	9693313	YGZJBBINHAEENF-INIZCTEOSA-N	427.932	5.261	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1	10475810	IZRLCCMYSQPZFQ-ZVHZXABRSA-N	441.325	5.109	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1C	28216056	WJYGOUNDYTZWKH-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC	28216798	RXFIQEBOCNKPLL-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c1	33380366	VESBGUUUOYIWNA-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OCC(C)C)cc3)n2)cc1	40476988	WSVDSJGKWGFSQN-CPNJWEJPSA-N	433.533	5.608	50	40	IKGB	
O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCCCCCBr	95482101	TVOBMAXSXJHMRF-UHFFFAOYSA-N	443.385	5.381	50	40	IKGB	
Br[C@@H]1C=C(c2ccccc2)[C@H]2C[C@H]1C(c1ccccc1)=C[C@@H]2Br	100020271	GZMSWWLYOVNSKV-FXELSEDVSA-N	430.183	6.330	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OC	408540848	WLPJTSKNDPNSKY-IMRQLAEWSA-N	445.003	6.414	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Br)cc1	408579902	LGKNEENJLKYIEF-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(O)cc1	408794329	ITQYQQHMHNRNEF-QGOAFFKASA-N	449.304	5.279	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(C)c1	408813199	OREJSZBOTODHLK-KQWNVCNZSA-N	426.491	5.987	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Cl)cc1	408872418	MYEPCANLHZEADG-DEDYPNTBSA-N	432.907	5.494	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cc(C)cc(C)c1	408896373	NDJAYCRACOFBNZ-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)s1	703640	QCDVNSSZIKWJDA-IBGZPJMESA-N	445.371	6.173	50	40	IKGB	
CCc1ccc(/C(C)=N\NC(=O)COc2ccc(Br)c3ccccc23)cc1	9948561	KVWGCJDSKNBGOO-IWIPYMOSSA-N	425.326	5.084	50	40	IKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)CCc1ccccc1)oc1ccccc12	16136849	KXVGRDZHTOZLQE-OGLMXYFKSA-N	443.503	5.048	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1	108207794	YSNHQJHQOXNMBB-RGEXLXHISA-N	433.305	5.574	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408539435	HPODGRXEGYBTRX-PTGBLXJZSA-N	434.580	6.679	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	408544174	VLGQDFDGLBISFL-STZFKDTASA-N	426.903	6.414	50	40	IKGB	
C=C1CC(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C1	408731342	JXERXDSUJCRTCN-GTWSWNCMSA-N	445.566	6.536	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c1	408789059	NVGWZKKABJLJKI-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OC	408854187	ZHMFLTVGLIRJAE-VEILYXNESA-N	439.515	5.234	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cc(C)cc(C)c1	408888400	VCTDABVHTWSJET-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(C(F)(F)F)c1	408965739	XLTDLUKQFVIHJM-MRUKODCESA-N	427.209	6.036	50	40	IKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cccc(Br)c1	409127266	IWNMMDNDNMAPCM-DNTJNYDQSA-N	432.170	5.139	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cc2c1	409187290	OLWBEWOFJQZZLS-BRJLIKDPSA-N	443.286	6.162	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4ccccc34)c2C)cc1	409187352	PHIKMWVIZATZLU-QRQIAZFYSA-N	441.531	5.175	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1Cl	409204906	DEJLVZFKRROSJD-NDPRVOFDSA-N	447.922	5.075	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409393329	QHAOQARWQIFBCA-NVMNQCDNSA-N	438.842	6.039	50	40	IKGB	
CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	9057850	XQEYRVCZUNTXGJ-KNTRCKAVSA-N	449.551	6.663	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(C)cc1	9335047	RMDBLIULNBCWSY-PDGQHHTCSA-N	434.492	5.585	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)cc1	223166107	BGZJGCQEBSNMMP-QNGOZBTKSA-N	429.520	5.356	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1Cl	408869270	RVNRDTUTVMIKKP-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408900832	XXAXVVHLWFBQFQ-SFQUDFHCSA-N	427.847	6.100	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)c1	408996541	PXMKXGDROIFEPV-VULFUBBASA-N	446.348	5.524	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	409007882	REYIFGDGWYPOOU-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccco1	1241306	QFDKESKLUYKUQO-GXDHUFHOSA-N	426.881	5.384	50	40	IKGB	
Cc1ccc(SCCOc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	16157713	XJPBYVGDWNDIPC-OQKWZONESA-N	428.557	6.020	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	20764569	NMKDJKPCZKRYHK-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1	23410980	SOLFEFIJYSAVIB-JLAZDCSASA-N	430.508	5.634	50	40	IKGB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1	35059554	ZYWDLORWHPCAIG-LTGZKZEYSA-N	445.526	6.269	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1	59272403	UDTNDEVLSOZAFE-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)cc1	98001630	HFWQFLYVKAVKMC-NHFJDJAPSA-N	440.584	5.987	50	40	IKGB	
CCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1/C2=N\NC(N)=O	100167458	VXGVTQOMORQLPU-ZZIIXHQDSA-N	435.568	5.775	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1	408723982	BRNCNMIXQQOUBL-VUTHCHCSSA-N	446.510	5.465	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2cccc3ccccc23)c1	408799318	KGZNGVRQZNYDSI-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC(C)C	408807900	PCTNFMTVVMPJAC-PXLXIMEGSA-N	442.515	5.607	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c1	1101048	LCWXMSXMLJKHFK-CPNJWEJPSA-N	425.463	5.383	50	40	IKGB	
CCN(CC)CCOc1ccc(/C=C(/C#N)c2ccc(OCCN(CC)CC)cc2)cc1	4758142	IXALFAKDQLWUOL-DAFNUICNSA-N	435.612	5.192	50	40	IKGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1	9360864	MIVUFAINHXPKRI-MZJWZYIUSA-N	448.885	5.212	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	9907418	OKWIUNHJAFJXIQ-JWGURIENSA-N	438.914	6.618	50	40	IKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccccc1	12466392	VJSXYIQLMNCLBQ-BKUYFWCQSA-N	449.026	5.116	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-]	12590248	IBWJXQJNJYYXLX-LTGZKZEYSA-N	449.466	5.873	50	40	IKGB	
N#C/C(=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1nc2ccccc2s1	12620165	IEWPVMWLRPXTKF-XLNRJJMWSA-N	427.916	5.931	50	40	IKGB	
C[C@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=C(C#N)C(=O)N1	16577597	QWJUXWLHKLEZPO-WJOKGBTCSA-N	440.546	6.733	50	40	IKGB	
C/C(=N/NC(=O)c1cccs1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	17097820	WVZUTAFDVVACGI-MSXFZWOLSA-N	432.332	5.461	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1	30820859	UOLBYZMTCQKAAH-HAWKZNDISA-N	436.533	5.010	50	40	IKGB	
CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Cl)c1OC(C)C	100371382	NSEMVOVNNGPVSX-APSNUPSMSA-N	434.927	5.534	50	40	IKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)c(C)c1	408735106	NYNWUXSMXVOFDF-FYJGNVAPSA-N	430.935	6.390	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1C#N	408794385	IYISNKLTPSXHFX-CIAFOILYSA-N	427.891	5.645	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1cccc(F)c1	408874242	ZNUJABIGOIFVOD-YBFXNURJSA-N	439.317	6.577	50	40	IKGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	408896213	QKEPGDIRYBANKG-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OS(=O)(=O)c1ccccc1	409071351	JKWFZGATUFOTSY-CJLVFECKSA-N	431.513	5.256	50	40	IKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1	409330795	BKKVSRKPVPNWAJ-CJLVFECKSA-N	434.495	5.930	50	40	IKGB	
CC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1sc2c(c1C#N)CCCC2	721266	HTIYVXLKEDFKGO-UHFFFAOYSA-N	432.393	5.027	50	40	IKGB	
Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1	789005	SSVCSJSMKHIZLJ-NRFANRHFSA-N	438.524	5.226	50	40	IKGB	
COc1cccc(C(=O)NN/C2=C(\C(=O)C(F)(F)F)CCCCCCCCCC2)c1	4113500	JMSWSKPKLYISQJ-HNENSFHCSA-N	426.479	5.230	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc2ccccc12	8843053	GZZKLHFTBPKLCD-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)o2)cc1	9042585	GDENNVHJFFMWEC-RGEXLXHISA-N	430.460	5.068	50	40	IKGB	
Cc1cc(Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)c2ccc3ccccc3c2n1	9427761	UDQUTGVOBJRTMT-STBIYBPSSA-N	446.510	5.910	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1	13615775	BAOQTFRZOIKDER-AWNIVKPZSA-N	436.161	6.944	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccccc1F	33371469	HCESCRFKYCLMKY-MFOYZWKCSA-N	442.273	6.474	50	40	IKGB	
C[C@@]12CC[C@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	43677062	FRPJXPJMRWBBIH-DDTUGOMQSA-N	440.411	5.182	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)N=C3CCCC(O)=C32)cc1	102622115	HTFAUWMQMHVTQL-DEOSSOPVSA-N	443.572	5.945	50	40	IKGB	
COc1ccc([P@@](Cc2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1	104094159	NXALVGFTIQFATP-UHFFFAOYSA-N	433.511	6.343	50	40	IKGB	
ClC1[C@H]2c3ccccc3[C@H]1[C@@H]1[C@@H]3C=C[C@H](c4c(-c5ccccc5)oc(-c5ccccc5)c43)[C@H]12	104105394	PFEHDIPYECHLSW-QCVMBYIASA-N	446.977	8.099	50	40	IKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]([C@H]1Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)[C@H]1Cl	104354464	BCYGJIZALPHWRM-KCMOJLNPSA-N	442.211	6.169	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1C	408589902	NJVWMFGGGLXTNW-JVWAILMASA-N	446.551	5.301	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc2ccccc2c1	408599610	XJYDMWGPCQYVKN-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408851505	CFLNMNRNHCTXIG-YBEGLDIGSA-N	437.858	5.131	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Cc2ccccc2F)c1	408875042	IAFZYRLVPPZNQG-RGVLZGJSSA-N	434.898	5.933	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1	408877677	SWOQNIALTWHXFC-CPNJWEJPSA-N	435.296	5.725	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccccc1Cl	2727091	SHMNEHWVGAZIHH-UYRXBGFRSA-N	429.907	5.468	50	40	IKGB	
O=P(O[C@H](c1ccccc1)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1	3177052	PXJMKVQIUUMYRG-LJQANCHMSA-N	426.321	5.871	50	40	IKGB	
CSc1ccc(/C=N/NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)cc1	3262588	PAGJZJYOOGDFLW-JVWAILMASA-N	432.589	6.183	50	40	IKGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)c1c[nH]c2ccccc12	3301857	WJAHKYZNBPNGCG-LUOAPIJWSA-N	445.832	5.098	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	4062692	VIBNYAGEYXTQCF-AFUMVMLFSA-N	432.936	5.971	50	40	IKGB	
CCc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1	6821714	MKLVZOWTBSAYIS-XNTDXEJSSA-N	440.322	6.107	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccn1	8861653	AIOKWLHOIPMCIJ-UFFVCSGVSA-N	436.718	5.006	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1nnc(-c2ccccc2)o1	9187328	OGGIRGMBNLQXRP-CPNJWEJPSA-N	449.470	5.265	50	40	IKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1Cl)oc1ccccc12	13563233	UFMCTCVLFOQKPX-MZJWZYIUSA-N	449.894	5.383	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1	32125019	ZLUDYLCMJZPUCC-ATVHPVEESA-N	449.919	6.254	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)[nH]c2c1	33378657	IKHNLLLTRAUFIT-WJDWOHSUSA-N	441.403	5.544	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)cc1	104089177	WMAVUQJIAJGOGW-QFIPXVFZSA-N	449.601	5.952	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc(C)c1	408541158	FAZBXVFZKVWAPS-NHDPSOOVSA-N	433.891	5.998	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1C#N	408735522	UGXRZAJRIPFZCI-RGVLZGJSSA-N	443.890	5.345	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(F)cc1	408746273	RJEYCVOGRBSJHS-STZFKDTASA-N	430.479	5.658	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1c(C)cc(C)cc1C	408803206	MJKWTRLYWBOZLR-PEGNWHEBSA-N	446.591	5.801	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C	408810069	ICLFZTBXBWHJMD-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccco1	408854061	WRZGHPPEQOIVGY-OCKHKDLRSA-N	425.691	5.204	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1	408996628	JKWVOSNUEYHJHP-NDZAJKAJSA-N	443.506	6.009	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)cc2c1	409188162	XADYTXNGQBRHOH-DICXZTSXSA-N	448.906	5.828	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409210122	IJILUJAGEYZIMY-PDGQHHTCSA-N	448.309	6.969	50	40	IKGB	
BrCN(CBr)c1ccc2c(c1)Cc1cc(Br)ccc1-2	1726888	TULXPZFUEHIQAR-UHFFFAOYSA-N	445.980	5.532	50	40	IKGB	
CCCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1	3112133	RUTWQTZJWTVXIR-MTDXEUNCSA-N	447.510	5.411	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1cc(C)nc2ccc(C)cc12	6134315	ZXZCTFPZPNLEKG-JFLMPSFJSA-N	443.572	5.646	50	40	IKGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1c(Cl)cccc1Cl	9693563	YKEPBSYDUTVZIY-CQSZACIVSA-N	434.323	5.352	50	40	IKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCc1ccccc1	12250096	QOEJLBJWXSNNCP-UCQKPKSFSA-N	438.552	6.770	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1)c1ccc(Cl)cc1	13645265	MQFPYZRBLXRGQI-PKAZHMFMSA-N	444.922	5.463	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1	13895842	YVJABDXNVRRJOL-XNTDXEJSSA-N	440.322	5.127	50	40	IKGB	
N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(=O)Nc1cccc(C(F)(F)F)c1	33426799	MOTVNHBWZCODRK-WDZFZDKYSA-N	434.215	5.495	50	40	IKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	39991750	CHQSKPHQFFIHDP-QGOAFFKASA-N	425.513	5.837	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl	59535768	QIHDLJIKRFCOTM-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@@H]2O	105121658	FRPJXPJMRWBBIH-YBNCXLCVSA-N	440.411	5.182	50	40	IKGB	world
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	107801300	QDGAAKYCXSHFMS-UCQKPKSFSA-N	425.897	5.092	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2[C@H](C)CC1(C)C	260569362	PRCRLVVWCCJBIM-PBEVGHANSA-N	432.395	6.258	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(Cl)c1	408789199	OLVSHRCHRAMGDT-LDADJPATSA-N	429.882	6.028	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408802163	XGDQGTJGTCEEFU-OQLLNIDSSA-N	433.733	5.745	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(C)c(C)c2)c1	408810227	JHRSEOORSCJFFE-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1	408885604	CTBBPNBXVGRKFM-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
Cc1cccc2c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)n(C)c12	409030289	FDFOCIKDUXMMQI-RHANQZHGSA-N	432.527	5.774	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Cl)c(Cl)c1	409394316	YORCXWMQRJYKNT-NVMNQCDNSA-N	428.290	6.784	50	40	IKGB	
C[C@H](Br)C(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)CN1CCCCCC1	1646406	OGKRECNIEBIOLI-SFTDATJTSA-N	442.441	5.837	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1	1905750	WNMHKOQMTPYIDM-CJLVFECKSA-N	445.588	6.239	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1Cl	12342288	RTMZZUZHFDNHAV-RIYZIHGNSA-N	441.270	5.806	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	28216059	RYYBBJPRZHAJTR-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(C)c1	59500472	MSWYSQILUJZIIP-YSMPRRRNSA-N	436.895	5.030	50	40	IKGB	
CC(C)[C@H]1C(C#N)=C(N)Oc2nc(SCc3ccccc3)nc(OCc3ccccc3)c21	95117457	LKVOMGVNKCCEFT-FQEVSTJZSA-N	444.560	5.174	50	40	IKGB	
N#C/C(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)=C1\Nc2ccccc2S1	103126106	VYUUYMWJISNZPU-GDNBJRDFSA-N	427.860	5.368	50	40	IKGB	
CCOC1=CC2=C(C=O)C[C@H]3[C@@H]4C[C@@H]5OC(C)(C)O[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	118936716	GAVOLJDFJHUYGO-NOEAKSCRSA-N	442.596	5.138	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	209179127	AKAZORNQSLMLDU-BOPFTXTBSA-N	441.325	5.267	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1	408581426	WLWCHZCHYQFSLV-LDADJPATSA-N	444.339	6.134	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1C	408588234	ILTYJDCIRHBMIW-AFUMVMLFSA-N	438.369	5.166	50	40	IKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1	408777545	BRPWVACQIJSZTO-JFLMPSFJSA-N	446.959	6.255	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1	408779288	UGVKDZBDONNASA-XKZIYDEJSA-N	426.472	5.126	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1C	408795501	LWIRNAIBOWUUAC-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	409120874	WRUJICJFIOMWQD-VBYICHLGSA-N	425.985	5.687	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1	409229491	PXLNJNJLTFKUTC-BWAHOGKJSA-N	440.543	5.320	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1	409253167	WEIMTNDJTDIXIC-VYYCAZPPSA-N	449.938	5.047	50	40	IKGB	
CC[C@H](C)n1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	681301	JRANLLZJQRQWMH-HZZGJGATSA-N	438.325	5.885	50	40	IKGB	
c1ccc(CN2CCC3(CC2)SSC2(CCN(Cc4ccccc4)CC2)S3)cc1	1695761	XIXYUPPMRYETOB-UHFFFAOYSA-N	442.719	6.099	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccccc1F	2250012	MPHPLTJHYFUGRZ-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccccc3C)ccc21	8916170	KNKXUZLOWFCYSS-MTDXEUNCSA-N	426.520	5.257	50	40	IKGB	
Cc1ccc(COc2cccc(/C=N\NC(=O)Cc3ccc(Br)cc3)c2)cc1	35494427	FIZUDFBHXYXDAF-MYYYXRDXSA-N	437.337	5.029	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1	59224723	SOCJXJNULVWWBW-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	59335312	IIEMXXVTRRYPLT-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408791741	BULUTYBXGQULKO-FMIVXFBMSA-N	427.243	5.497	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c2C)cc1Cl	409062792	AVNIZZVZGPPDSJ-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
N#C[C@H](C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	409205209	GLPZCYMSPIXXKF-YJGSSNSBSA-N	426.907	5.100	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1C	409240788	HYIYBJDDROZHPN-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)cc1OCC	409316711	QSGFOZXBFFSQTR-VEILYXNESA-N	444.531	5.301	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCc1ccccc1Cl	1439479	QXRFLRAZVFHFQH-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=C(NCCSCc1c(F)cccc1Cl)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	3170898	NCVIVOSGWPPIEQ-KSSFIOAISA-N	446.802	5.588	50	40	IKGB	
CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl	4048171	NUFQCYGMDGDPAI-ZQOVORKSSA-N	446.956	5.615	50	40	IKGB	
N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	8691981	NAUKGEXJGARLFJ-JLHYYAGUSA-N	437.899	7.052	50	40	IKGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1	16291497	HGFDBQRLDFASHH-UUASQNMZSA-N	439.323	6.596	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)ccc1Cl	32581100	LHZNINSAGCHRQI-MBTHVWNTSA-N	445.950	5.489	50	40	IKGB	
CC/C(=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1	33458904	BXIIZYGHTWHUIB-QOMWVZHYSA-N	431.586	6.133	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	59484040	MNCUOPJTNGHLBD-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(SC/C(O)=N/c3cccc(C)c3C)N=C3CCCC(O)=C32)o1	103698522	JAHRGLBQLZHPGN-HSZRJFAPSA-N	447.560	6.496	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	223477821	XKSPEFIUIDQOEC-LQKURTRISA-N	427.548	5.720	50	40	IKGB	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2C1(CBr)OCCO1	253617493	PXLRPEYMUKKRQS-QFSSDPKNSA-N	441.450	5.144	50	40	IKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC	408540120	NIBNZDPDLDCXGQ-IWIPYMOSSA-N	447.373	5.489	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	408744753	HDLISMIWWAMJIY-PGMHBOJBSA-N	446.982	6.139	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1	408797194	QGKLUBQZERXKMW-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc(F)c1	408803974	BJESBBRJNDBPJW-MNOULKQQSA-N	430.479	5.198	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408806991	JRGZOXQDSIVAOM-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cccc(C(F)(F)F)c1	408963843	PPSVIQUNQWQFPE-BHGWPJFGSA-N	437.215	5.492	50	40	IKGB	
CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3cccc(Br)c3)c2c1	409007249	NFSRBUVPNVPYKI-OYKKKHCWSA-N	441.325	5.164	50	40	IKGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409018916	WYHSVULCAIVJKQ-JJFYIABZSA-N	433.689	5.177	50	40	IKGB	
C#CCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cc(C)ccc21	409032469	JPQUABPJNQEVJG-JVWAILMASA-N	425.557	5.287	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)cc2c1	409187037	LFXAGWWBCDIRHW-YSMPRRRNSA-N	431.492	5.012	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC	409230133	BUGQJYVXZRMBRS-JQFNYASXSA-N	443.341	5.031	50	40	IKGB	
Cc1ccc([C@@]23C[C@H](C)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452018	QZQNBOQVPHCQLF-QFMFQJCFSA-N	430.935	5.284	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc(Br)c1O	9075382	QAGBYAJKUTUISP-MLPAPPSSSA-N	431.286	5.490	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1cc(O)ccc1O	13321411	RDUQPSDLKDDRBH-OGLMXYFKSA-N	425.488	5.084	50	40	IKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	13576200	XKGDPBSOOAMXKB-CMPFEXHJSA-N	438.980	5.691	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1	20195041	QPMWCCVGDZYEDL-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	20197696	BOSKNZPFKLTNLA-VULFUBBASA-N	444.362	5.954	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1	35339470	DICHGLPGWJGFSL-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1C#N	107680685	OKUVBIPGYUCRBY-JAIQZWGSSA-N	432.882	6.393	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C	208212347	VECJNBGCEVLKBE-MMTYYTLLSA-N	428.374	5.243	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)cc1Cl	408735903	ZDTUZKHAQPWFIZ-CIAFOILYSA-N	427.891	5.645	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	408792615	BGYNCOZHVGJBIQ-LICLKQGHSA-N	441.325	5.185	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(F)cc1	408805003	IJCCGRDCPXJMOO-LKZQPVPRSA-N	437.518	5.922	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1cc(C)cc(C)c1	408874489	CNDJCVDUUGGTRG-CVKSISIWSA-N	438.571	6.455	50	40	IKGB	
O=C(N/N=C\c1ccc(Br)cc1)c1sc2cc(Cl)ccc2c1Cl	408974377	YNNCTJVIABCRLG-ZBKNUEDVSA-N	428.138	5.735	50	40	IKGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)c1	409164599	KWLKYRSMVBTFAN-BRJLIKDPSA-N	445.302	5.583	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl	409384286	CLSXMMWQUNFVFX-ODLFYWEKSA-N	440.330	5.668	50	40	IKGB	
Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1	789003	SSVCSJSMKHIZLJ-OAQYLSRUSA-N	438.524	5.226	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1	1175621	CKCRACOUMOFGGF-UDWIEESQSA-N	447.922	5.388	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3SC(F)(F)F)n2)c(C)c1	1833585	ZOEGAFRELSOHAO-RVDMUPIBSA-N	431.508	7.015	50	40	IKGB	
CC(C)CCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1	3301440	RMJXDIIFSZHFPY-OGLMXYFKSA-N	434.511	5.594	50	40	IKGB	
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC4CCCC4)cc2)C(C#N)=C(N)O3)c(C)c1	8382675	IGHUFXBJNVRALN-JOCHJYFZSA-N	426.520	5.233	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c([N+](=O)[O-])c1	9008883	XCONOIQULLRDGF-QGOAFFKASA-N	434.521	5.902	50	40	IKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1	9296169	SEVJPSGFVZGMRL-XMMPIXPASA-N	448.906	5.241	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)Sc2nc3ccccc3s2)o1	33674404	VYJMYNUXLIPTBP-CPNJWEJPSA-N	440.553	6.707	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	33757495	MCFPTOTUGWIZFP-MXAYSNPKSA-N	449.850	5.434	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1	59245223	FDBWJAPTRRGLAC-DEDYPNTBSA-N	437.326	5.796	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	408706526	AVPYPAIUCFWANM-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)NCc1ccccc1	408747357	MVBPOAIEYOJUJF-ZSOIEALJSA-N	442.258	5.385	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccccc1Cl	408772335	KZCWROGVBSRLPM-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)c1	408782541	JYRVFJDTVUDSHX-STZFKDTASA-N	430.479	5.738	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408792434	BLJPNVNHLRCSCD-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408797713	CPVMFRJKGZZWNQ-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccccc1Cl	408800307	LTSAUEFGFFEWLZ-UGAAVYLDSA-N	445.994	6.253	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408878078	WHKFLBPIDYJWMT-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccccc1	409067280	QAYFHQFIZVFHKI-UDWIEESQSA-N	434.289	5.790	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc2c(c1)OCO2	409366053	SLKJLGNFLVLVGW-ODLFYWEKSA-N	434.289	5.821	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)N1CCCC1	409371571	HXWKDGXESIZZNP-GZTJUZNOSA-N	445.744	5.211	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1	1801176	NNUJKXVGEWPRDT-LSDHHAIUSA-N	431.555	5.487	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	9273387	NQVPJOBTAKOCQU-GZTJUZNOSA-N	440.330	5.955	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)c1nc2ccccc2s1	12585798	GASMQDZNFDKFKH-HMMYKYKNSA-N	432.504	6.733	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1	32124587	YEDOGMQBNIYDLY-MOSHPQCFSA-N	443.528	6.217	50	40	IKGB	
CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Br)cc1	33467501	ZDZOZMXVDYYMNF-ONEGZZNKSA-N	437.131	5.726	50	40	IKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC	34806981	AYBKHCWLZWIDFT-YUMHPJSZSA-N	436.474	5.827	50	40	IKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1c(F)cccc1Cl	38680197	JJMNOAOOCIXTLI-FQEVSTJZSA-N	438.817	5.056	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c1	59198847	NRISLKMPSDXMOU-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OC	59201932	JRTWWVDBPDNTNP-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	107731895	SWYMQXHYBFVBBO-UXHLAJHPSA-N	447.538	6.173	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(F)c(Cl)c1	408676944	NXBNUAWGZFDPSH-JFLMPSFJSA-N	438.934	5.251	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12	408745720	VDDKSUNXZLDQQA-ZHZULCJRSA-N	436.471	5.452	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1Cc1cccc(F)c1	408874936	FLYFPSQRWHBKNF-HZHRSRAPSA-N	428.507	5.923	50	40	IKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccco3)c3ccccc3n2)cc1	2109438	ZAKOKEUJPJSKPM-AHQLXFAGSA-N	437.543	6.827	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	3241943	ZYDMNILIZDWXSN-YZSQISJMSA-N	429.545	5.906	50	40	IKGB	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)c1	8590276	OKWGMRBOEWDVJI-XMHGGMMESA-N	447.498	5.353	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	9562108	YFZQSQYJOSZNTM-CJLVFECKSA-N	448.526	5.710	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cccc1[N+](=O)[O-]	28217472	JQSGNTQQIJBPFB-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1F	59202089	HGTBLTYZAPYHSB-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	59224785	YOJWBKQKANLMTB-OQLLNIDSSA-N	433.733	5.745	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	59245256	DXMZRDUFZSPZCN-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	59483846	NLIFPLKCZRMVIH-ZVHZXABRSA-N	436.339	5.041	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	223165264	WWZNQKOGTNRKGA-MFOYZWKCSA-N	440.330	5.955	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1	408581703	YYNIEEWMACCTOA-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1	408794120	HVANGILUMOXUES-OEAKJJBVSA-N	430.511	5.724	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)c1	408807570	DDUZNOBBRUCGRK-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1Cl	408809048	HLEZVLZIDIUWFI-DICXZTSXSA-N	448.906	5.828	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1C(=O)O	408893109	FLFNRBJEIMBGIV-LDADJPATSA-N	432.863	5.163	50	40	IKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Cl	408905554	ZEWKVPAIOKMHLG-NKVSQWTQSA-N	445.144	5.619	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1	409182941	OXPPSIRZFKNZCU-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(F)cc1	409209684	HDXMWOIZTVSZGE-DHRITJCHSA-N	428.916	5.301	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409251223	OYCIKUTYQFUBSY-DORSJAEJSA-N	438.358	6.185	50	40	IKGB	
N#C/C(=C\Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1	9327353	IYKIEGLWNIIAQZ-JLHYYAGUSA-N	440.311	6.200	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)o2)cc1Cl	12371119	MTLJSIMCOGJILY-LFIBNONCSA-N	441.878	5.312	50	40	IKGB	
C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccc2c(c1)Nc1ccccc1S2	17094490	RCPRDLNFADCBTG-JFLMPSFJSA-N	425.513	5.908	50	40	IKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CN2CCc3ccccc3C2)cc1	22022756	UZCLVIZXKGZOSK-WKULSOCRSA-N	437.465	5.028	50	40	IKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	28217333	DFFNUNNPVMSJPJ-BRJLIKDPSA-N	446.403	5.952	50	40	IKGB	
COc1cc(/C=N\NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Cl)cc1Cl	39978168	DVVOVJGHBGQHRH-KSEXSDGBSA-N	439.295	5.080	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	59447411	YLEHOVIFJOSKGU-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1[N+](=O)[O-]	59488975	FPNGARYYHUGALA-ICFOKQHNSA-N	441.450	5.129	50	40	IKGB	
CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	103528578	FHWZMGOQHKRDNR-SFHVURJKSA-N	448.395	8.614	50	40	IKGB	
O=C(c1ccc2cc(Cl)c3ccccc3c2c1)[C@H](Br)CBr	104365037	SLTJCRFHDABUBH-OAHLLOKOSA-N	426.535	5.988	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cccc(Br)c1	408568036	HSZMWPZMVAJPIW-SXGWCWSVSA-N	435.300	5.936	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1	408724630	CPMLQMLTYZXJJN-KQWNVCNZSA-N	426.516	5.772	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c1	408799416	ZEZWTVZVYKUCLS-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2F)ccc2ccccc12	408878711	CVYYXJVNHNWXHW-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408966540	PBHVFJILQMMHKB-RMORIDSASA-N	444.230	5.672	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	409138184	ZHSFBEKGKLIAFP-MFKUBSTISA-N	425.985	5.688	50	40	IKGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	409193827	MANGVZASUKZULJ-JLHYYAGUSA-N	441.270	5.586	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1	409195511	VZEBAQUTDRGUOA-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1ccc(Cl)cc1	650986	XLZAAPSGZWXJTQ-NRFANRHFSA-N	436.968	5.499	50	40	IKGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(F)cc1Cl	9187446	FOCGROCKYLGPGZ-LDADJPATSA-N	440.909	6.731	50	40	IKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)cc2Cl)nc1-c1ccccc1	9411437	JLSYXSKAMLXVFC-XNTDXEJSSA-N	428.344	6.530	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1C	12859284	GWERTGPLEILTHO-MUFRIFMGSA-N	439.559	5.452	50	40	IKGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC	20760971	GEABCGDKSISCOW-WSDLNYQXSA-N	439.737	5.054	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1	32633810	CAFVNJNIMFOKEX-JLPGSUDCSA-N	425.513	5.186	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(NC(=O)c3ccccc3)Oc3ccc4ccccc4c32)cc1	36612751	KYFXTBQDBIYKEG-VWLOTQADSA-N	432.479	5.538	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	39884722	JCUWRAOICZDIFD-NTEUORMPSA-N	442.258	6.016	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1	59201981	UHETUGQCPPWJHR-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1Cl	408541136	DXCXIACUVBFSTL-BKUYFWCQSA-N	433.891	6.080	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2cccc(C)c2)c1	408819239	XEMHERXSMGVLRN-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408959865	HDVVOANSSBTEIE-CCVNUDIWSA-N	427.470	5.748	50	40	IKGB	
O=C(N/N=C/c1cccc2ccccc12)c1sc2cc(Cl)cc(Cl)c2c1Cl	408972985	QZEVLXIVKAFQPN-YSURURNPSA-N	433.747	6.779	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1OC	409020358	OLAXLDQGVXPULX-ZVHZXABRSA-N	441.325	5.164	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409048929	UPULHDYMRMYLJR-TWOGVEJSSA-N	441.369	5.305	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(C)c4C)c3C)cc2c1	409187295	OOGRVQAFOXUHJN-DICXZTSXSA-N	429.520	5.620	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccccc1Cl	409369955	IEBSKDFZIIWREL-NDENLUEZSA-N	435.911	5.023	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC	409379030	UKCARSKTCVDWPZ-OFAQJKEFSA-N	442.865	5.238	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	409394012	UIMXKDNGOCEEDS-ZDLGFXPLSA-N	436.870	5.569	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(=O)[C@@H]32)cc1	1254936	XQJWOLBBKLYMNY-XZOQPEGZSA-N	436.964	5.925	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@H](Br)c1ccccc1	1669530	MMOWIUFXIYZUMS-KGLIPLIRSA-N	446.964	5.532	50	40	IKGB	
CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	6015238	KGSVRNKVLLWKFI-LJQANCHMSA-N	430.360	5.691	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OC(=O)c4cc(F)c(F)cc4Cl)cc3)nc2c1	8854891	WKKYSWIYPKBILS-OQLLNIDSSA-N	449.844	6.086	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1Cl	9059312	QWEDTWLDWIMDTN-LDADJPATSA-N	443.890	5.641	50	40	IKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3ccc(Cl)cc3)o2)cs1	12292334	BVCMQLIDRJFNNW-LFIBNONCSA-N	433.876	6.696	50	40	IKGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)c1ccccc1	28216653	BPEYAIDAINVVQA-RNRKLAHPSA-N	430.335	5.239	50	40	IKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)OC)cc1	103010284	DLACXDZCKOWKRX-HKOYGPOVSA-N	448.563	5.436	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	107696408	UCRKMMHHHMOGLD-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Br)c1	107938078	PXDWFKNOJUIJEK-JAIQZWGSSA-N	449.304	6.309	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)Nc1cccc(Cl)c1	108996974	MSFOSMYMLKWYGF-ATVHPVEESA-N	449.869	5.042	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)c(Cl)c1	408586101	LCUQTTGQCAPBPB-WOJGMQOQSA-N	437.757	7.714	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Br)c1	408744139	WXALLJHVLVZFNB-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	408771836	KMEUIMQRDJPDPX-UKWGHVSLSA-N	436.475	5.011	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3)ccc3ccccc23)cc1	408772967	NYEOVWACRGXZJA-MOHJPFBDSA-N	432.523	6.527	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C	408799218	JXWYRJIRCRDLTK-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1C	408806866	CAQXIWKDFIOBEW-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C)c(C)c1	408809140	KEPGZVXOZHHQMY-FYJGNVAPSA-N	428.488	5.142	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccccc2)c1	408811090	NKWDFXQKFLYKTM-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)c1	408813429	NXTTUBOMSVMFCE-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(Br)cc1	408813878	YTJVBKBKLBLDJM-IHXXJONOSA-N	440.385	5.459	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccc(F)cc1	408879081	AQZRMCDZUZZVIO-XMHGGMMESA-N	435.296	5.725	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1)c1ccc(Cl)cc1Cl	409000365	XXJHUPXUDDNJQH-YSWHNZAVSA-N	438.314	5.675	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1	409053636	NTDNOFBKNLJOAK-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	409124550	KWNPACBUIJARRI-RTMGKINMSA-N	431.561	5.268	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409173859	OAIAZBMVSLITDT-AJBULDERSA-N	444.534	6.265	50	40	IKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccsc1	708339	XALSXUNPICHXGF-IBGZPJMESA-N	446.601	5.143	50	40	IKGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(N)O2	875358	WFUIZOINWVQUKB-SANMLTNESA-N	428.495	5.705	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(Br)c1	2054970	BBKAVFUPMOQIGP-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1ccc(N[C@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	2581832	PVHHSNQNMMZOQZ-DEOSSOPVSA-N	432.416	5.621	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@H]1c1ccccc1Cl	3248630	RBXCPVSGBCESAD-SFHVURJKSA-N	447.947	5.204	50	40	IKGB	
CC(/C=N/NC(=O)[C@H](C)Nc1ccc(Br)cc1)=C\c1ccc(C(C)C)cc1	8385180	DKNLODQDTHDZMC-KFGLJADQSA-N	428.374	5.578	50	40	IKGB	
N#CC1=CN(Cc2ccccc2)C=C(/C=N/Nc2ncnc3sc4c(c23)CCCC4)C1	9086819	PSNNORWUKRARSS-KVSWJAHQSA-N	426.549	5.165	50	40	IKGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	10039243	GPBIEVUCOJBZKR-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1nn(-c2ccccc2)c2nc(Cl)c(/C=C(\C#N)c3nc4ccccc4s3)cc12	12493968	ICMKJBRTZCXPSL-LFIBNONCSA-N	427.920	6.056	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCc1ccc(Cl)cc1	12590161	BLVROZIYFNIUSG-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1	13174286	IMZXRSXMKUHZKC-DEOSSOPVSA-N	443.572	5.104	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)cn1	15938904	AXZBWDWQYBRVRT-YBEXTIAMSA-N	427.386	5.294	50	40	IKGB	
CC(=O)Oc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1	17113497	WZAMPKFUJQUVMM-CPNJWEJPSA-N	447.516	5.277	50	40	IKGB	
CC(C)=CCC[C@](C)(Cl)[C@H](Cl)[C@@H](c1cc(Cl)sc1Cl)S(=O)(=O)O	22116493	FUWWQLYSQVIDNH-BZPMIXESSA-N	440.241	6.335	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1	34688860	ZGCYWHMYAHXQBX-HKWRFOASSA-N	431.967	6.591	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(C)c1	59272184	NNZYDYJTPPANKH-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21	59336421	PHYCESPOZFDHDX-UVTDQMKNSA-N	442.302	5.057	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	107627380	ZWCJIICHJAZGHD-WQRHYEAKSA-N	425.271	6.545	50	40	IKGB	
CC(=O)OC/C(=C/C#N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118932866	GLGIQLSIIQHBKV-BMDWIJRLSA-N	439.596	5.510	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(Br)c3)cc21	208250984	RFKFVZGWZGAQPR-ZGUVFNMESA-N	448.792	5.588	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	223166023	VCRJBCPWDMQZQE-MOSHPQCFSA-N	433.939	6.000	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)o1	408588604	JCQADTJUXPHXIC-OGLMXYFKSA-N	440.547	5.431	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1	408740988	GDNAIAFXRKMRGW-NDENLUEZSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408792981	MYHXJGGVIAGGLB-MDWZMJQESA-N	431.706	6.761	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC#N	408799405	YZDSJJNYXYUZKK-WUXMJOGZSA-N	436.682	5.103	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408853681	WORQXEDVTUWXPX-RGVLZGJSSA-N	426.318	7.393	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1	408866953	IOKADYVJVPDZDI-LPYMAVHISA-N	445.360	6.202	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1	408875081	CRVNQYJIUXTDTE-CJLVFECKSA-N	428.463	5.139	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(O)c1	409391411	JEGXEOLAVIDUAP-BRJLIKDPSA-N	445.302	5.051	50	40	IKGB	
ClCCN(CCCl)c1ccc(/C=N/NCc2nc3cc4ccccc4cc3[nH]2)cc1	1690909	NSUMSKPINMLHNB-CVKSISIWSA-N	440.378	5.124	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)cc1OC	8818244	AUFXVLATUYGAEX-FOWTUZBSSA-N	445.500	5.219	50	40	IKGB	
C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc2c3c(cccc13)CC2	9375478	WWYTYMVTYOGQNF-NDZAJKAJSA-N	431.539	5.977	50	40	IKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1	59336352	VHDPAQPZTUYXPL-UNOMPAQXSA-N	438.358	6.563	50	40	IKGB	
CN(C)C(/C=C/Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)=C(C#N)C#N	100913219	LCWGIPHKPMFQFE-BQYQJAHWSA-N	433.821	5.335	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Cl)c1	107976925	HCJKNVYDFHYPQY-MSXFZWOLSA-N	444.361	8.098	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3/C(=N/NC(N)=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	253617096	CQCNMHGZPMKDSP-AGGZPJTCSA-N	445.648	5.259	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1C	408586395	BQHZHLYWDXRWER-LQKURTRISA-N	435.999	6.046	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	408814336	FONFXARCSMHYMR-HAHDFKILSA-N	435.527	5.230	50	40	IKGB	
C=CCn1c(C)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	408859640	VWZPXCBRVXXTOF-CFRMEGHHSA-N	436.309	5.408	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Cc2cc(C)cc(C)c2)c1	408866213	GMEMVEQRVHPDOG-HYARGMPZSA-N	430.935	6.102	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cccc(F)c2)cc1	408876840	RDMFBLRXSXGGTM-RCCKNPSSSA-N	430.479	5.369	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2F)ccc2ccccc12	408878883	DGKXHXOXSVXXMB-HKOYGPOVSA-N	434.514	6.678	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	408941171	JYRGWKKVIQFCAV-UNOMPAQXSA-N	447.922	5.554	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	409360985	OKNZYWBYRPZDFW-WGARJPEWSA-N	427.331	5.574	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	409366810	YRCLGNMJPVTLGB-DICXZTSXSA-N	441.358	5.828	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409389479	BGDLJDQHHAUIDM-MLPAPPSSSA-N	425.095	5.814	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc(F)c1	35079614	PKZGTBLOYYEUSY-ZDLGFXPLSA-N	425.862	6.660	50	40	IKGB	
Cc1ccc(CNC(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1	40058103	BQFNFTAFCYUPBJ-UHFFFAOYSA-N	444.922	5.008	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1cccc(Cl)c1Cl	59335919	ZTOQAZASBCXDAF-GXDHUFHOSA-N	427.243	5.497	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(-c2ccccc2)cc1	59680060	WXBWFOYTXGARLA-RDRPBHBLSA-N	433.511	6.271	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc(Br)c1O	96307379	WDAXOGDUCIFCCM-BJMVGYQFSA-N	427.081	5.260	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1	408580253	NMUMDDDIUUTOQZ-HAVVHWLPSA-N	439.536	6.289	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1	408580297	NZSXBKLDPRELOF-HYARGMPZSA-N	448.360	6.799	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(F)cc1	408787555	BTXYRSQVIHRQGQ-CPNJWEJPSA-N	432.451	5.055	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc2c(c1)OCO2	409361517	SIPJNQLIEVXOMB-WKULSOCRSA-N	447.494	5.335	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	937138	DFNLFPROSYZYHX-XYOKQWHBSA-N	428.231	5.707	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCc1ccc(Cl)cc1	1439481	GFFPJHKWWDTVTQ-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
N#C/C(=C\Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1	6110662	KGUQORXQLGSTTG-RCCKNPSSSA-N	444.434	5.748	50	40	IKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	15906724	TWTVXJKOFBXSSB-KGENOOAVSA-N	432.470	7.560	50	40	IKGB	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(-c3ccccc3)nc12	16742274	PWEBXJSUNOXYDT-QGOAFFKASA-N	446.432	5.874	50	40	IKGB	
CN(C)P(=O)(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1	100286655	ODVZPXYPEZRDPS-UHFFFAOYSA-N	433.084	5.405	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1C#N	408542659	KOWRSTQYRNMBSR-YDZHTSKRSA-N	448.526	6.093	50	40	IKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1	408732059	ORUXEOXENQFNLG-VAMRJTSQSA-N	441.534	6.575	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1	408889598	HMOGAIGKNYQQLX-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409001848	WZEGSBBGSQEBDH-JFLMPSFJSA-N	447.922	5.683	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCCCc1ccccc1	409231629	DJTDHIGVGFJWBD-QJOMJCCJSA-N	437.518	5.485	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1	34859151	AAEAMJLXFYKDKX-WQRHYEAKSA-N	438.296	6.240	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	58917732	RCNFFKLLFOMFBE-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc(Cl)c1	59133393	KPFXJHKIQWMYRH-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
O=C(c1ccc(Cl)cc1Br)[C@H](Br)Cc1ccc(Cl)cc1	64220249	WWVHOVRGFUUBDY-CQSZACIVSA-N	436.958	5.945	50	40	IKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@H]2C1	100682404	DXRNFIVTELFJLN-MOXGXCLJSA-N	435.369	5.315	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1	408711608	BIUICUFXGGBGHE-CEUNXORHSA-N	438.527	5.510	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408740541	GYCQOHOIEVGBFV-LZYBPNLTSA-N	433.298	6.262	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(Cl)cc1	408753187	INUXIAVAQOMOHH-LGMDPLHJSA-N	428.879	5.341	50	40	IKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	408756551	ZUZAVLQYEHUODZ-XYOKQWHBSA-N	440.124	5.700	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1C	408793251	DJYMRBPRZMFQLQ-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl	408867372	LWZNZMDLOZIUBW-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)cc2c1	409187659	SXDFGXBTBLIBRU-CFRMEGHHSA-N	433.420	5.072	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1	2135808	USYQLHLHPTVNAW-UHFFFAOYSA-N	431.374	5.119	50	40	IKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(Br)cc2)c1	3074995	VCGJLYRJWCRKOU-JEWPKMHUSA-N	447.376	5.522	50	40	IKGB	
N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2cccc(Br)c2)cs1	8818260	SGHNJOWPKKLSTI-FOWTUZBSSA-N	433.334	6.097	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc(Cl)c(Cl)c1	9374823	UJXKADRHQTWFPM-NUGSKGIGSA-N	442.133	5.844	50	40	IKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	9445041	MUHBUWANARYPHS-RCCKNPSSSA-N	427.960	7.416	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1COc1ccc(Cl)cc1	17099290	AYUTWUNEIAGKBO-JOCHJYFZSA-N	434.927	5.094	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1Cl	33717759	SXOAFKBNFJDYMF-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)NC(C#N)=C(Sc2ccccc2)Sc2ccccc2)cc1	103903568	WAFORPSSMCAHCU-UHFFFAOYSA-N	444.625	6.991	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	408531407	LWIVHFNDDMHPAH-GDNBJRDFSA-N	433.733	5.827	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(C)cc(C)c1	408879915	HUZCIHRYWACHKO-HZHRSRAPSA-N	426.516	5.827	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)O	408883162	TXGSVMFSRNJDBF-QGOAFFKASA-N	432.863	5.163	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1F	408890463	UEXWWQDFAOVGIF-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
Cc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	409260007	JCDDVHBRLHNJTJ-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)n1	409382038	KADZSPWZWOHKNJ-YBFXNURJSA-N	436.309	5.089	50	40	IKGB	
N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	2281737	NUHICDWFFGFQCO-FLIBITNWSA-N	441.170	7.400	50	40	IKGB	
C=CCc1ccc(OCCOc2cccc(/C=N/NC(=O)Nc3ccccc3)c2)c(OC)c1	13940868	BRUMEOLHQMEHKE-ZXVVBBHZSA-N	445.519	5.037	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	59702411	CJEOMUGDAHZTAV-OKPUGRBLSA-N	431.363	5.849	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21	208459218	UORFHAAHUAEBME-MUXKCCDJSA-N	429.486	5.338	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(Cl)c2)cc1	408803333	NRLOCZKBOHJEDV-CPNJWEJPSA-N	448.906	5.482	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408828680	NMWPKLADMDEZAA-MHWRWJLKSA-N	444.915	5.090	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1cccc(F)c1	408871999	IXEQBXWVKCHDIZ-VXLYETTFSA-N	434.898	5.933	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(C(=O)O)cc1	408879921	GBUCZDYTGKJGBS-HZHRSRAPSA-N	448.478	5.663	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1cccc(F)c1	408881808	NWNRXASFAVQNAM-XDHOZWIPSA-N	439.317	6.577	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCc1cccc2ccccc12	408882805	QZGSYIXUHRGKDM-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2cccc3cccnc23)c1C	408961919	VOFSNZOOCNOSAM-MUFRIFMGSA-N	440.547	5.042	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1O[C@H](C)CC	408966531	MBOTZVHHTGJPHM-SUZBBLJPSA-N	442.865	5.699	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1O[C@@H](C)CC	408966534	MBOTZVHHTGJPHM-UQJRAWQTSA-N	442.865	5.699	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)c1	409002405	UMBXBAIRMGRTDR-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	409012915	LPFPOYXRRQDBMN-ZROIWOOFSA-N	430.722	6.292	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1	409048274	SECULJPVBAWJMT-XMHGGMMESA-N	439.471	5.308	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(=O)O)c1	3236799	DRTKQPHIRJGRLZ-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1	59116920	IRYWSERPWWXSHF-VBKFSLOCSA-N	441.289	6.257	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	59117668	JWSHPHSRPSHWRM-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc2c1CCCC2	100870275	IQNGVJQWQJPBLK-ACCUITESSA-N	441.603	5.965	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3cc1O)[C@@H](C)CC(C)(C)N2C(C)C	223593140	HBDYLLCHJSRGFN-ZNUIVASASA-N	443.591	6.118	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1OC	408587718	TZRVYLNMNQYVCA-MLPAPPSSSA-N	427.125	6.227	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(C)C	408807381	CFDLJKRZGHIXCV-VGOFMYFVSA-N	449.732	5.444	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OC(C)C	408934672	CSPSJJITOHDNRQ-FMCGGJTJSA-N	445.313	5.145	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cc(C(=O)O)ccc1Cl	409001003	ZPDACXLYKQXLIZ-VYYCAZPPSA-N	445.906	5.363	50	40	IKGB	
CC(C)n1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409030700	DZGYVKAAYHZATI-STBIYBPSSA-N	432.527	6.201	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccccc1	409066296	BNBMEFKJPGIOIA-PXLXIMEGSA-N	440.499	5.254	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	409111298	CEFKEGDYYGUFPN-WGOQTCKBSA-N	438.980	5.860	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	409159892	BEEPYTXLFVCGKM-JFLMPSFJSA-N	431.923	5.424	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(F)c1	409210323	JKUCAOZXUIJGFQ-DHRITJCHSA-N	428.916	5.301	50	40	IKGB	
O=[N+]([O-])c1cc(Br)cc2c1-c1ccc(Br)cc1[C@@H]2Br	1580942	NDNOWUFUWQLVEW-ZDUSSCGKSA-N	447.908	5.585	50	40	IKGB	
O=C(c1ccc(Br)s1)[C@H](Cl)[C@@H](Cl)c1ccc(Br)s1	1685383	XPMPRVLKIPQPMA-VHSXEESVSA-N	449.016	6.105	50	40	IKGB	
O=C(CSSCC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12	2274653	LYQLPQOWFAZZBD-UHFFFAOYSA-N	432.570	5.952	50	40	IKGB	
CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)ccc21	9008882	BRSOSPPIEGOHKL-CAPFRKAQSA-N	448.595	7.531	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	10059549	RXGAEDMBZOERIU-OHPNAPQJSA-N	439.559	5.732	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)cc1	12342128	MXWWJKMJAGDSBF-XDHOZWIPSA-N	433.895	5.080	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1	18192441	LEULGTMGSCANDD-XSFVSMFZSA-N	443.459	5.118	50	40	IKGB	
Cc1ccc(/C=C\C(=N/NC(=O)N/N=C(/C=C\c2ccc(C)cc2)C(C)C)C(C)C)cc1	104305925	KNNOUVKDRPRHOJ-BMGVCMPWSA-N	430.596	6.353	50	40	IKGB	
CC(C)(C)[Si](C)(C)OCc1ccccc1N1C(=O)[C@H](N=[N+]=[N-])[C@H]1/C=C\c1ccccc1	256001815	SNBKFPZJRSQSET-WKASWSHTSA-N	434.616	6.316	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408544908	YNGNWGKXDKCAFV-STZFKDTASA-N	437.455	5.669	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3)cc2-c2ccc3ccccc3c2)cc1	408724272	JICKHOLMFUQEBR-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1Cl	408725688	MQUIEFRDNILELY-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408798352	WHOCIPZKJOYDOR-CXUHLZMHSA-N	431.319	5.811	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1	408881501	NQFMTXSNYZNIFW-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)c1	409008532	XMWMPCIMYPFFHB-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2cccc(F)c2)cc1Br	409392094	KWEMKJWRSJRIRS-VGOFMYFVSA-N	437.106	5.980	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cccc(Br)c2)c2ccccc2n1Cc1ccccc1	9668333	DBJTVUAKKFNTOK-CVKSISIWSA-N	446.348	5.524	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1C	12859095	AFCDWDDRIFYHBW-OPEKNORGSA-N	431.319	5.708	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OCCC(C)(C)OC)cc2s1	20133071	HEPBHOAVEFBMDP-CQSZACIVSA-N	443.407	5.382	50	40	IKGB	
N#C/C(=C1/SC=C(c2ccc(F)cc2)N1Cc1ccccc1)c1nnc2n1CCCCC2	101051022	WGFKWFUDYUJDBH-DAFNUICNSA-N	443.551	5.583	50	40	IKGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528892	CAANKOCZJQMYMU-UWTATZPHSA-N	441.981	5.211	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC	408583854	XVLFUYBOJLDYIU-CXUHLZMHSA-N	432.314	5.328	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(C)cc1	408766751	FYWOBFVBZZTDLH-IWIPYMOSSA-N	440.543	6.135	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408775338	PLWAAMAYZRTSKW-NDENLUEZSA-N	444.491	5.335	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408844019	GLBLBUNPBHKXTJ-SFQUDFHCSA-N	441.289	6.257	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408880141	DNVMJGHRAHLPED-RCCKNPSSSA-N	427.460	5.282	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2cc(C)cc(C)c2)c1	408892058	AJIBMJCMRIWAMU-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl	409055493	YZJHKPZXNRTNNV-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409239233	OWKPNSHZNSUADO-VJOZSWGJSA-N	426.944	5.182	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=O)N1	409368363	ZSHHIWXBKGLGSV-IBGZPJMESA-N	430.335	5.750	50	40	IKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)Nc1cc(Cl)ccc1Cl	3318087	HSDFKCOCWSXCTK-BJMVGYQFSA-N	449.187	5.742	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1	8427010	NAFTYEAVKAQMST-TURZUDJPSA-N	438.612	6.387	50	40	IKGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	9693141	YPQFSBUSAIFVHS-IBGZPJMESA-N	439.968	5.267	50	40	IKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)C12CC3CC(CC(C3)C1)C2	13304032	VJXFQUOPRREGBJ-CVKSISIWSA-N	430.577	5.267	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1Br	26123326	NGOWTBUJUXNOPA-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1	33346504	DGDIWZGLCOIFEM-ATVHPVEESA-N	436.920	5.791	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc(CS[C@@]3(c4ccccc4)C=NN=N3)cs2)ccc1O	96183021	DWEFKGLKCUBMRB-IHSQGBLNSA-N	431.546	5.759	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	223503341	OLKXKMBHACWPFY-MZJWZYIUSA-N	439.987	5.588	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl	408598993	NETQYCPSYRTFAV-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3C)cc2-c2ccc3ccccc3c2)cc1	408723946	AUYJMSSLANUCCH-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1Cl	408733853	BGWWQDQUHBRPJP-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
CCOc1ccc2ccc(OCC)c(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2c1	408782534	JWPXNSUBRSPQCP-UNOMPAQXSA-N	436.515	5.646	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OCC	408818891	QXULWXNNVYLYMO-MHWRWJLKSA-N	429.303	5.258	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl	408825236	RSBALIWNBJNIKD-RIYZIHGNSA-N	433.291	5.121	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc([N+](=O)[O-])c1	408831870	VWNURDZDIZZTKH-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl	408884434	XBXULDJKIBENMO-XNTDXEJSSA-N	431.717	5.521	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCc1ccccc1Cl	408886202	IVMGIIUCOCRSOO-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1	408905562	ZGWZYIOUSQYAMH-MXAYSNPKSA-N	430.464	5.129	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O[C@@H](C)CC	409208782	CADIPMVTQGYXLC-XGHPXPSOSA-N	445.313	5.997	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C	409265592	VTLIXCPWKYCGIS-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
N#C/C(=C\N/C(S)=N/c1cc(Cl)ccc1Cl)C(=O)c1ccc2ccccc2c1	8665230	DQJXBSBNBFNPBP-FOWTUZBSSA-N	426.328	5.944	50	40	IKGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1	9720524	GZGXNPHQICWICE-GLPPWLPJSA-N	441.556	5.281	50	40	IKGB	
N#C/C(=C\c1coc2ccccc2c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	12338513	KQYPTPYULGGNBB-KGENOOAVSA-N	432.504	6.648	50	40	IKGB	
C/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)c1ccc(COc2ccc(F)cc2F)o1	33580311	JGGIHDRHIKYGDW-MBTHVWNTSA-N	442.506	5.849	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	59255371	NCANCZUSBUPITA-VGOFMYFVSA-N	449.732	5.364	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cccc(C)c1	59296898	JMSYQCZALUINSC-LFVJCYFKSA-N	440.543	6.081	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1OC	59447361	CWXWKKXTENUDGV-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CSCc2ccccc2)cc1	59473272	PSCSGBOTJVXIEG-ZVHZXABRSA-N	439.378	5.646	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	107733453	FVZSSOQDAFGXAQ-OGLMXYFKSA-N	440.547	5.086	50	40	IKGB	
O=C(N/N=C/c1ccc(N2CCCC2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	108276813	UIHGCGNFMNAVBI-MFKUBSTISA-N	444.516	5.327	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)CC(C)(C)N2C	208232679	BLOPLYIJFWFFNH-GESOSKEOSA-N	442.390	6.570	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(C(=O)O)cc1	408542372	LLLXOQUHKABOGW-JCMHNJIXSA-N	439.898	6.835	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1C	408567506	OADDHPBIBUMNPU-RWPZCVJISA-N	429.951	5.653	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl	408725595	LAJSLRSWZNECSN-ZDLGFXPLSA-N	444.745	7.299	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1	408745271	KZRANFFUVMXLEP-ZHZULCJRSA-N	447.332	5.882	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408746889	XKNUSUJFMWMQGJ-JYRVWZFOSA-N	435.705	5.055	50	40	IKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408797481	RXFMVFFKJADATA-IZZDOVSWSA-N	426.097	5.310	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC(C)C	408797812	HBUSRGBLLUJOBQ-CXUHLZMHSA-N	433.335	6.033	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408799423	ZADYCVBHZMWWDU-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc(C)cc2)c1	408801443	ASLZERULGUKXGD-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)cc1	408806107	ATEWCCKHKGZNMJ-XQNSMLJCSA-N	426.516	5.827	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(F)c(Cl)c1	408820574	YSRMCBJJZHPOLW-YBEGLDIGSA-N	428.294	6.086	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)c1	408964239	CJSMRMSGMPDHNR-UCQKPKSFSA-N	441.531	5.433	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)cc1OC	409310535	VQMZPQVHVBMLEQ-PKAZHMFMSA-N	432.520	5.135	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc(F)c1	409390594	FZZOAFKKZHWBSR-OCKHKDLRSA-N	425.862	6.660	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	59245229	ZKGBNTHHKPIGMM-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2)n[nH]1	95670823	BFSFCXWSLZLLOJ-UHFFFAOYSA-N	447.478	5.246	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	102524170	CJEOMUGDAHZTAV-ZAFJEFGPSA-N	431.363	5.849	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2[C@@H](C)CC1(C)C	223531141	GWBFACMIGFOGGM-YYABEBHCSA-N	431.502	5.510	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=N/NC(=O)c4ccncc4)CC[C@H]32)C1	253500980	PXMZBKQJYAKCCM-VYUQLULGSA-N	449.595	5.062	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	408532919	RMRBMVRGXNRELG-ODLFYWEKSA-N	425.757	6.883	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1	408579206	DRFPKVVIVKUQQZ-DEDYPNTBSA-N	432.907	5.739	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccn1-c1ccc(Br)cc1	408850933	GPESTOHUTHFAKY-ZDLGFXPLSA-N	442.320	5.248	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(F)cc1	408934187	CUDHRZSSEFHUCZ-YVLHZVERSA-N	441.289	6.257	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl	408939441	SOYCFYJDQVOSBY-ODLFYWEKSA-N	447.878	5.681	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408995239	LJOPXMMHOZTQFL-WGARJPEWSA-N	446.894	5.573	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408996228	LQMFSZZUNDBPGA-RHANQZHGSA-N	441.506	5.576	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	409138797	IDACGPOOGAKBCO-PCLIKHOPSA-N	449.532	5.115	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NC1CCCC1	409190222	MPZXFDIIXXNUNA-HKWRFOASSA-N	430.935	6.038	50	40	IKGB	
CN(C)N(C(=O)C(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1	1279672	GKQONMXNCMMMLN-UHFFFAOYSA-N	436.555	5.017	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C)c1C	2386337	RZDWTCJXGYDHKI-BOPFTXTBSA-N	437.590	6.259	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1	9659965	LRJXJLGOPARDMS-CXUHLZMHSA-N	448.288	5.036	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	20763771	FDNGFLVLRFFSOR-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1[N+](=O)[O-]	58871211	OGDNAVDFEJDNRV-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
COc1ccccc1C(=O)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl	105066029	HZLTVGADYKVBDL-MXAYSNPKSA-N	429.303	5.345	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Br)cc1F	107845022	RJFXLAVIBKCGND-ZDLGFXPLSA-N	439.284	5.758	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(=O)NN)CC[C@]4(C)[C@H]3CC[C@@]21C	118928961	HJVWCTNBJZXJIV-MVKBOHMRSA-N	428.705	6.634	50	40	IKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1Cl	408579869	KWHMNMWWYUDLQE-YCRREMRBSA-N	447.941	6.288	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408801948	WYBNQNUNDCWTSL-SDNWHVSQSA-N	427.287	6.116	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1	408910999	XZRQUYBLNVEZLE-VULFUBBASA-N	445.346	6.043	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1	409067361	XULBFOUOUJVCNA-UDWIEESQSA-N	448.364	6.019	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(OCC)c1	957985	FZQVQDGSMVOSPK-OQLLNIDSSA-N	434.275	5.081	50	40	IKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(OC)c1OC	1247790	QWAOJWDZLSWLAZ-XMHGGMMESA-N	449.576	6.011	50	40	IKGB	
CSc1ccc(NC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1	1717233	TUCDJGYBGHMPGR-UHFFFAOYSA-N	425.425	5.654	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc2ncccc12	6149929	QOWBRBKPZPTEEI-KAMYIIQDSA-N	444.834	5.602	50	40	IKGB	
CCc1scc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1Br	8781122	YUCHCAMFXGRCCR-FSJBWODESA-N	443.366	5.416	50	40	IKGB	
Cc1cc(C)n2c(nc3ccccc32)c1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	9246581	ZERNNZPXYZWEOK-OCSSWDANSA-N	442.522	6.175	50	40	IKGB	
Cc1ccc(C(=O)[C@H](OC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1	13098495	CLDNAPYSMJWTGF-QEYQTOMISA-N	438.527	5.444	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	13615867	JWJWRXIMXGUJFK-HMAPJEAMSA-N	432.504	6.648	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OC(C)C	33489606	QKRUOJXQKSCAFS-NVNXTCNLSA-N	426.314	5.494	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1	59535916	MKSOLZUWLZSPEI-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)c3cccc(Br)c3)cc21	223506824	GDNSPJHZQZMSAL-NHDPSOOVSA-N	435.409	7.232	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1	408530572	MGWHBYXNUMGECL-KVSWJAHQSA-N	448.876	5.329	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	408586269	MLDAARVBIYLRCR-HMAPJEAMSA-N	430.334	7.790	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2O)cc1-c1ccc2ccccc2c1	408726670	SLPLCSCTYPDEMI-RDRPBHBLSA-N	446.510	5.470	50	40	IKGB	
O=C(N/N=C/c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408732641	SYGYKHVXFZYPFQ-DFKUXCBWSA-N	441.534	6.575	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(Br)c1	408766291	UAJPPOMIMRRLIA-UVTDQMKNSA-N	427.685	5.908	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(Br)cc1	408783316	MQHREWHXJLGPKR-ZROIWOOFSA-N	428.669	6.125	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1	408783512	MELCGFDSTVDJOZ-JYRVWZFOSA-N	427.243	5.497	50	40	IKGB	
O=C(NN=C1CCCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408862684	LHMJTTGXTWUHTA-VWLOTQADSA-N	435.593	5.291	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1	408923494	IYDRBIXNRDHADP-GHRIWEEISA-N	439.427	5.562	50	40	IKGB	
CC(C)CCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409113896	OPEGHOZAPWDCCF-WYMPLXKRSA-N	439.408	5.802	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	409361100	GQMAQSURQPQBEZ-RWPZCVJISA-N	429.951	5.653	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Br)cc2)cs1	2302767	DPOVMGWMBIFRAN-SDNWHVSQSA-N	440.322	5.320	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1C(=O)O	2773819	CCRPWYSFGYVRSY-FMIVXFBMSA-N	427.243	5.497	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)c1	2805836	LHDJTQACUSWLTB-DEDYPNTBSA-N	425.919	6.197	50	40	IKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1	9015161	QVEXXMTXBUZJMJ-BHGWPJFGSA-N	425.275	5.006	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2c(C)cc(Br)cc2C)cc1	27345704	DFIPYTZXWDEUIY-QGOAFFKASA-N	428.326	5.757	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	58917176	AWUNOARWXGYHAT-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccccc1Cl	59117302	OSPRGBXRQCNVAE-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
CCCCCCCC/C=C/CCCCCCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	98001307	MTMAKIKJYDIOAT-GDCKTUOTSA-N	429.605	7.082	50	40	IKGB	
OB(O)c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1	202165842	MDJFBPQHRZJLCC-UHFFFAOYSA-N	439.323	5.798	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223175709	BYMXYWXNMKIKBD-HMAPJEAMSA-N	427.504	5.043	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cccc2ccccc12	408676284	HDAPLJDDFJAQRV-VUTHCHCSSA-N	436.559	5.611	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408800113	KPINHALHYAWNLO-GZTJUZNOSA-N	440.330	5.955	50	40	IKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)sc2c1Cl	408969686	RZAXPGUFMNUXQG-HOEBFWFUSA-N	448.158	6.287	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409042988	OZIKGLAQSKRIKQ-FYJGNVAPSA-N	446.934	6.129	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccccc1	409365136	QAONRKNJSYBTDH-BKUYFWCQSA-N	434.333	6.491	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1F	409390467	FQQBWNHVMCBFFB-GRSHGNNSSA-N	425.862	6.660	50	40	IKGB	
CCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	2100241	FPAQNMURZGMFLD-BYEYKRMRSA-N	431.536	5.005	50	40	IKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3c(F)cccc3Cl)CC(=O)N2C1	9693311	OMVKWOIURFNGBG-ZDUSSCGKSA-N	448.350	5.660	50	40	IKGB	
COc1ccc(/C(C)=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OC	12362351	FMFKWRKFXYKONB-WGOQTCKBSA-N	432.545	5.047	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)o1	14407543	SJYCTAPSPIRZHD-OPEKNORGSA-N	426.303	5.662	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1cc(Cl)ccc1Cl	34829426	AQJUKNJUYOSWEE-YBEGLDIGSA-N	426.303	5.652	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(F)c1	59137239	MLHRTKBVUBCMMC-BOPFTXTBSA-N	438.300	5.541	50	40	IKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	59297042	JFIZKGOUUTYSKD-MDWZMJQESA-N	439.231	5.412	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1cccc(Cl)c1Cl	59335992	UQMOEBAPRWLAMO-BENRWUELSA-N	427.243	5.497	50	40	IKGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(Br)cc3)c1)C2	59501519	OJVIYZCFZMUOTG-LGJNPRDNSA-N	448.364	5.350	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Br)c1)[C@H](C)CC(C)(C)N2C	208212305	VECJNBGCEVLKBE-GMJSKMFWSA-N	428.374	5.243	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)cc1C	408792509	AMKGTOMPTAICHP-YZSQISJMSA-N	432.523	6.581	50	40	IKGB	
COc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1	409087341	CFHAXKXXHBXWJD-JFLMPSFJSA-N	431.923	5.424	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1CC(C)C	708556	KAXAEXCEEATYFA-KRWDZBQOSA-N	432.973	5.094	50	40	IKGB	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	8836960	WSTPIUAUKAEYCR-LTGZKZEYSA-N	445.526	6.267	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccc(Br)cc3)cc2[C@@H]1c1ccccc1	100678406	WUBLLFNSAHVZSY-IQFHQVDXSA-N	446.304	5.123	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(Br)cc3)cc21	208237561	JWVWXJWUZURKRE-DUPVFGOHSA-N	429.789	6.889	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3cccc(Br)c3)cc21	208473811	DUHWDBPCDXEAEJ-IUXPMGMMSA-N	427.773	6.798	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1	408581905	ZVMCXYBGWLNDGV-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408588811	JUBYGVNQPWPQJH-JFLMPSFJSA-N	431.923	5.673	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1	408744435	FQVDPCNHPDAQSQ-PDGQHHTCSA-N	436.870	5.612	50	40	IKGB	
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NN(c1ccccc1)c1ccccc1	409002696	PDWXXDAYFOQBMP-DEOSSOPVSA-N	443.547	5.218	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1	409011328	GCHANHGCFGPWBH-MTDXEUNCSA-N	425.532	5.800	50	40	IKGB	
Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c(C)c1	409238166	CPGPPKJXRPPIMY-ONUIUJJFSA-N	425.576	5.675	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)c(C)c1	985551	UVNPWJBHVLDNNA-SFHVURJKSA-N	425.319	5.527	50	40	IKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1	2769467	RFSUWBZXSGDSOY-KSXCTLEASA-N	442.475	5.680	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)O	2846627	CQDMZQPQYNGXGB-VGOFMYFVSA-N	436.689	5.029	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3090299	KYUPYGZFSMHRPZ-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1	6182390	AKQZKYYFOIBISE-GFPZRUSRSA-N	443.550	6.941	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)ccc1Br	9311032	CVQXZOHMUIAATD-BKUYFWCQSA-N	448.364	5.388	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1	12285027	PWPRBSCDPNMIBW-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2)cc1	59410808	SDAPUXAHPHPFEO-TWKHWXDSSA-N	434.539	5.856	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccc3Br)cc21	223476040	DSWXEORPFNYOHQ-AFUMVMLFSA-N	440.385	5.623	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	408809141	KFLDMYPLFBDAET-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
N#C/C(=C/c1cc(/N=N/c2ccccc2)ccc1O)C(=O)Nc1cccc(Cl)c1Cl	408854177	ZCWRCMXFPMTCNC-JBKLOHSRSA-N	437.286	6.660	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cc(C)cc(C)c3)ccc3ccccc23)cc1	408880350	JLRJMHLSBLCZDD-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(I)cc1	408922158	DODDAPQNYXJQOK-YRNVUSSQSA-N	443.071	5.144	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F	409053517	ZBEXATLBJVBMIS-LGJNPRDNSA-N	426.875	5.139	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1c(F)cccc1Cl	985561	NQGBXJBPAGACKR-AWEZNQCLSA-N	435.673	5.394	50	40	IKGB	
COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(C)cc3)cs1)oc1ccccc12	1744365	KUPHXNWLDSPISZ-NBVRZTHBSA-N	437.524	7.003	50	40	IKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1OCc1ccccc1Cl	2143398	ZIPFKFWCJSBEBX-RUZDIDTESA-N	438.914	6.290	50	40	IKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc1	2354639	YUSSLFCKMMLGGW-XMMPIXPASA-N	449.019	6.826	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2355558	QQCHLOMKBIXNJH-NDZAJKAJSA-N	445.522	6.075	50	40	IKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1Br	2630369	DLXKCQNKXZDXFH-KEBDBYFISA-N	435.734	5.067	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2c(ccc3ccccc32)o1	2805848	HOZUGVOVSVWZJV-UVHMKAGCSA-N	449.293	6.917	50	40	IKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(Br)c2)cc1	3112172	NTMVAOXQGVMSQS-LFVJCYFKSA-N	447.373	5.571	50	40	IKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccco3)c3ccccc3n2)cc1	8454675	ZAKOKEUJPJSKPM-GFLCODHASA-N	437.543	6.827	50	40	IKGB	
CCCCOc1nc2c(o1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1ccc(C)c(OC)c1	8742332	HZOFOPBIIGQXRU-NRFANRHFSA-N	430.508	5.148	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1Br	9971477	JBPRGTNEQYQEKL-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(C)=O	12139998	DMMHKKAXRUQTRE-VGOFMYFVSA-N	445.327	6.115	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	14358540	NQLJXMQINVMZCX-LICLKQGHSA-N	435.276	7.484	50	40	IKGB	
O=C(Cl)Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1	41127423	RYLZYHKVWOXYTO-UHFFFAOYSA-N	426.697	6.232	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1	58928027	NHRGFBGIKWIHAD-BRJLIKDPSA-N	449.790	6.703	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	59921461	JSIWHMCDNAUMRJ-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
O=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	226339769	BHQRBXPTNCFDBK-UHFFFAOYSA-N	428.924	6.367	50	40	IKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F	408540214	OQPGYEAHMRDICG-WGARJPEWSA-N	426.866	6.082	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	408540790	VXKDDDWYOOUFAF-IWIPYMOSSA-N	447.919	5.370	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2ccccc2c1	408548284	FSPMXMRRCSEROK-OYKKKHCWSA-N	440.340	7.245	50	40	IKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1	408691937	YZOBCRBIYWJDPY-YVLHZVERSA-N	431.883	5.613	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	408720270	XFYNDKMEWIJVMJ-LPYMAVHISA-N	435.387	5.012	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1	408738167	RFWBXICRPDAKDC-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
COc1ccc(OC)c(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	408764616	UYPHASIAANVNGK-JVWAILMASA-N	440.584	5.087	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408798573	VYTQQEURSRFLRW-RQZCQDPDSA-N	441.289	6.257	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Cc2cc(C)cc(C)c2)c1	408865001	BNXCCTPCZKZGSL-YDZHTSKRSA-N	444.962	6.410	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1C	408872365	LTRMHRJWBFRUEW-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cc(C)cc(C)c1	408898246	WACCARRSJRTLTQ-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C	408923975	MMDVBTYEEZRVPQ-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OC(C)C)c(OC)c3)cc2c1	409189649	MFHJIRYDGVSSJX-MSXFZWOLSA-N	430.888	5.045	50	40	IKGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1c(C)cc(C)cc1C	788994	QBQHTOJAXJIAOB-RUZDIDTESA-N	444.531	5.014	50	40	IKGB	
Cc1ccc(N2C(=O)c3ccccc3[C@]2(c2ccccc2)N(CCCl)CCCl)cc1	1694392	XBWOANJISDFRFM-RUZDIDTESA-N	439.386	5.636	50	40	IKGB	
Cc1ccc(N(CCC#N)C(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	1770588	ZBMORHKIBRPARM-OBGWFSINSA-N	426.432	5.017	50	40	IKGB	
Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1	2286888	VIQLROIGNPHCHS-QVKFZJNVSA-N	425.315	5.510	50	40	IKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccccc1Br	3170104	XVJMXOMJWZKKLH-UHFFFAOYSA-N	434.362	6.664	50	40	IKGB	
Cc1oc2cc(OCCBr)ccc2c(=O)c1-c1ccc(Br)cc1	9341755	NHPIVTWTFSBYMJ-UHFFFAOYSA-N	438.115	5.305	50	40	IKGB	biogenic
O=C(N/N=C\c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1ccc(F)cc1	10059319	MCVYQSOUFFWANB-LTKUWPENSA-N	441.260	5.473	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1F	15228782	NXCHPFFNMLWXQG-RGEXLXHISA-N	427.454	5.822	50	40	IKGB	
CC(C)C1=CC(=C(C#N)C#N)C=C(/C=C/c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)O1	22013664	UOOBIWAELCOCHK-BQYQJAHWSA-N	439.603	6.667	50	40	IKGB	
COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(C)cc3C)c21	36618856	DNHVHSQULPNNNB-KRWDZBQOSA-N	441.318	5.227	50	40	IKGB	
C/C(CCc1ccccc1)=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	96399246	MWWQVDVIYLHPOM-COEJQBHMSA-N	447.538	5.739	50	40	IKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccccc1C(=O)OC(C)C	408691620	IQVQPISKOGCQNP-STZFKDTASA-N	438.531	5.616	50	40	IKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408980272	QFLYSURBPHFETK-YNYZQSIGSA-N	440.330	5.005	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)cc2c1	409187551	RTWQIXAQOXHTCL-MXAYSNPKSA-N	447.447	5.380	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1	409214635	YUMCVKAEOHDQCD-UNOMPAQXSA-N	447.878	5.638	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409260333	OVHCIFMFVROSDC-VYYCAZPPSA-N	449.938	5.047	50	40	IKGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1	1745754	UCDOQIMQJPSGJF-SDNWHVSQSA-N	440.322	5.336	50	40	IKGB	
C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2	17096675	GONKCXWOTQCMSR-BHGWPJFGSA-N	429.775	5.734	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(C)c1	20194582	WVQFNJNIJLWGFQ-FDAWAROLSA-N	445.566	6.152	50	40	IKGB	
CC[C@@H](Br)C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	38600298	KNOWDHPHAZOWLT-OAQYLSRUSA-N	439.349	6.201	50	40	IKGB	in-vitro
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117458	ZQHSZYMIESQVBC-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	59447332	LUPGVTPDLWWYSJ-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@H](Cl)c2ccccc2)cc1/C=C\c1ccccc1	68563605	YSMPRUOJLAHKGO-COZHZMBOSA-N	443.286	6.933	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2C)c1C	107795024	UZMMXGOLYBXYBX-LQKURTRISA-N	425.532	5.637	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3Br)o2)cc1	252508092	XCLBKCWFGBRHGS-RVDMUPIBSA-N	439.284	5.956	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)[nH]c2cc1C	408543532	PSIAJOUNRPDZFG-YBFXNURJSA-N	448.353	7.130	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C	408678476	ZPOQIBYOAUFRCI-JVWAILMASA-N	434.971	5.420	50	40	IKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	408880801	IVTOVTWQNJQSOO-HMMYKYKNSA-N	438.458	5.809	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1	409363347	LHIQCYKAEBCQTA-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)NC(=O)N1	409371248	HFJCZCUYLDGZLN-LJQANCHMSA-N	430.335	5.750	50	40	IKGB	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](Br)CBr	575361299	WOPQRNXNUYDPGM-QMMMGPOBSA-N	427.964	5.065	50	40	IKGB	
N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(F)cc1	9259155	CVMNLDXNYWCLQS-UKTHLTGXSA-N	434.717	7.050	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc(C(C)(C)C)c1O	9892590	YELRAVNILDJTSS-MZJWZYIUSA-N	449.422	6.377	50	40	IKGB	
C/C(=N/NC(=O)c1cccc(C)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	35132579	NJMJCFYBRIUFCM-DICXZTSXSA-N	440.330	5.708	50	40	IKGB	
FC(F)(F)c1nc2ccc(SSc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1	36385363	BJIWXWHVTJMLCI-UHFFFAOYSA-N	434.390	6.276	50	40	IKGB	in-vitro
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	223606774	OGJJHMKNRFVYRW-FVHJOOJJSA-N	429.608	6.604	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OC(C)C	408540612	AIMIYJCLEVINLW-MFOYZWKCSA-N	430.298	5.397	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12	408692955	ZGNMPJCGFPCHOH-RWPZCVJISA-N	430.939	5.463	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408724489	ANQKDAKLBWWNGP-MOSHPQCFSA-N	443.459	5.037	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408802380	DRJAVJDANSMNKZ-XSFVSMFZSA-N	443.459	5.037	50	40	IKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C/c3cccc4ccccc34)sc2c1Cl	408970035	ZAOXAZPKXUMWAW-BHGWPJFGSA-N	429.328	6.134	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1O[C@@H](C)CC	409220628	CLHRIVKTICRMGL-SBGXLDQMSA-N	440.971	5.572	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	409378471	PSRIFUWZFPQWMB-KGENOOAVSA-N	442.950	5.747	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	1915679	IIHDXTUBQQWMFW-XSFVSMFZSA-N	433.957	5.646	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)NC(SCc1ccccc1Cl)=C(C#N)[C@@H]2c1cccs1	9046814	ITDDEOMGCTXKIR-HXUWFJFHSA-N	441.021	6.400	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1	9311789	SCJMSXQGVFDBDK-YSMPRRRNSA-N	446.348	5.774	50	40	IKGB	
Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2	15163106	CAKNYHMNGGICRU-SFHVURJKSA-N	429.467	5.380	50	40	IKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1c(C(=O)OCC)c(C)n(-c2ccccc2)c1C	102990910	XXQOPCADWRLAIB-RELWKKBWSA-N	449.595	5.655	50	40	IKGB	
Cc1ccc([PH](Cc2ccc([N+](=O)[O-])cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	104094162	GHKKAZWOGSTOKZ-UHFFFAOYSA-N	441.511	5.746	50	40	IKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1	408746511	DYFAHLYGGIUMTH-ATVHPVEESA-N	435.277	5.457	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(F)c1	408806756	BRCHVHUYGSNKOD-PXEGXHCHSA-N	436.527	5.405	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OCC)c1	409033938	MJDGZKDKGRVRGS-VEILYXNESA-N	439.515	5.463	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](Cl)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	4273508	JWVMDCGVUCHMAE-HGVYDXSNSA-N	437.108	7.009	50	40	IKGB	
CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	6137099	KGSVRNKVLLWKFI-IBGZPJMESA-N	430.360	5.691	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	9263086	QBPOYDWQALPVPA-RIYZIHGNSA-N	447.716	5.222	50	40	IKGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1	9324644	RAPWEOZRBMEBPN-HRRHLFCQSA-N	436.515	5.475	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	33768594	JNBMBWAOEKROSY-UNOMPAQXSA-N	435.277	6.000	50	40	IKGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	59473042	XOZGDEBSLBYLPZ-ZXVVBBHZSA-N	431.561	5.021	50	40	IKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	107955647	SEPHTTKPJAXUOV-WUXMJOGZSA-N	432.332	5.360	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)Cc1cccc3ccccc13)[C@@H](C)CC(C)(C)N2C(C)C	223592637	XBLHIIYKPRRXPR-SHEHFHRDSA-N	441.619	6.342	50	40	IKGB	
N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796938	ZOVIRRJRUSGIOB-XMHGGMMESA-N	433.305	5.574	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2Cl)c1	408899857	RDCWLLURFZIQFS-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c1C	408960236	KARDUELXVQGHRM-MZJWZYIUSA-N	433.939	6.128	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)c1	408968250	UYYJMAZRSNNFCT-BKUYFWCQSA-N	438.449	6.354	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1F	409050990	GIAOXOHLSSUJHE-LGJNPRDNSA-N	426.875	5.139	50	40	IKGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)c1ccccc1	857769	XNTOGYIDUXHOBY-RNRKLAHPSA-N	430.335	5.239	50	40	IKGB	
Cc1ccc(/N=C(O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c([N+](=O)[O-])c1	4083663	ZZCPGWDNKVLUBO-XSFVSMFZSA-N	436.471	6.101	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c1	28215941	ATXYZHJLYFELKS-MZJWZYIUSA-N	433.621	5.711	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(CSc3nc4ccccc4s3)cs2)ccc1O	31829174	BTBXRTCSJMYSTC-ZSOIEALJSA-N	437.571	5.823	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)Sc1nc2ccccc2s1	33765729	FFDIGLVHBWGXIN-QGOAFFKASA-N	442.594	6.867	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1	58835143	OKEYYLVJSHZKOO-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
O=S(=O)(N[C@H](c1ccccc1)[C@H](Cl)c1ccccc1)c1ccc(Cl)cc1Cl	408731792	PUBOVASNAYAUKJ-WOJBJXKFSA-N	440.779	5.993	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1C	408803134	LOGXAFHFAIAKEH-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(C)n(C)c3ccccc23)cc1	408808409	GKOQBINJQRWLOY-FSGOGVSDSA-N	446.554	6.017	50	40	IKGB	
O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408838406	FGXOMKFGKIIEFP-DHRITJCHSA-N	449.919	5.277	50	40	IKGB	
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4)cc3)sc2c1	408841219	DGPPBTCTGWDERG-VULFUBBASA-N	447.947	5.879	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl	408844035	UVETVYROXHTMAW-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)NCc1ccccc1	409047080	MRYWPDDMACHVET-RGVLZGJSSA-N	437.326	5.796	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409127735	RCODAGUDPRYHRG-NRFANRHFSA-N	441.314	5.387	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409332055	FUHAXNAAOVLEKQ-MRXNPFEDSA-N	435.401	5.987	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1Cl	409379294	VTNIDTZZWZBQPX-WJDWOHSUSA-N	426.303	5.652	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Br)cc1	9353258	PQDFSAZAKYANHI-AFUMVMLFSA-N	432.321	5.216	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1	14134311	RWDVCWRUTACPEM-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)NCc1ccccc1	15223244	AGGCZKGKBIXERX-YBEGLDIGSA-N	441.712	5.586	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1	16728802	VGODQYVXCNTDBD-CJLVFECKSA-N	448.526	5.080	50	40	IKGB	
Cc1ccc(-c2nc(/C(C#N)=C/c3cccc(O)c3)sc2NC(=O)c2ccco2)cc1	26770295	TZPGBKABBFKRPV-LDADJPATSA-N	427.485	5.734	50	40	IKGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OCc2ccccc2)cc1	32704171	GWYRIHZTNCULJF-OYKKKHCWSA-N	433.558	5.118	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(OCc4ccccc4Cl)ccc4ccccc34)[nH]c2c1	33706916	QCRZMKRVBPEVFC-QNGOZBTKSA-N	449.941	7.321	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1	109304226	QDYGEINTEKMXTE-PYCFMQQDSA-N	434.536	5.758	50	40	IKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2[C@@H](C)CC1(C)C	223581673	VYZHQCPRIDOIKJ-ISRVBRPNSA-N	435.999	6.615	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccccc1Br	408586039	AWKSEANHFNSLSW-CVKSISIWSA-N	446.348	5.774	50	40	IKGB	
O=C(N/N=C/c1ccccc1F)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408724271	JHXOZISIRKENGT-RDRPBHBLSA-N	434.474	5.596	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3)cc2-c2cccc3ccccc23)cc1	408726760	UEOLTMFOZOKKIG-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408804376	FCOXAISWFGGKBZ-FMIVXFBMSA-N	447.705	6.461	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cc2cc(Br)ccc2o1	408810248	KEWBHUYFNUEHDW-KSEXSDGBSA-N	443.684	5.873	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408867074	IQAXELXEEHBOLA-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(F)cc4)o3)s2)cc1	1453249	DDOIUOOUMZOEKX-CPNJWEJPSA-N	443.503	5.987	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC	2162522	FTNLRUDXTUKQBG-VULFUBBASA-N	432.863	5.024	50	40	IKGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	12578710	AHEZLHRQQDNJOY-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	16268387	QBXVJMYPKCLVAY-OPEKNORGSA-N	440.334	5.121	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc([N+](=O)[O-])c1O	36645991	SEGJCILFRYIZAX-UUILKARUSA-N	448.287	5.803	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	100229714	SVEQCENMDYZVBX-RJRGJQMYSA-N	431.363	5.849	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC	408578790	AXKZQIUVYBQPJO-SRZZPIQSSA-N	449.934	6.317	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1	408795370	MEFZBWATBXGUJK-XDHOZWIPSA-N	448.906	5.569	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cc(C)cc(C)c2)c1	408891038	KEYSUMPEGOACEZ-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1	409064823	FSEMZQQZWLAMGN-BUVRLJJBSA-N	440.499	6.284	50	40	IKGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3c4ccccc4cc4ccccc34)CC2=O)cc1C	409165731	BGYZGUJFTJCOBK-IIPRTONHSA-N	435.527	5.113	50	40	IKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC	409217654	REYNWHBYLSEFDD-SSDVNMTOSA-N	427.353	5.033	50	40	IKGB	
COc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1Cl	409312506	LVLJCGQCZNKVPR-AWEZNQCLSA-N	449.359	5.153	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccc(C)cc1	409390527	DWRZAIJLTUPLLO-BKUYFWCQSA-N	439.515	5.922	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(OCc2ccccc2F)c1	622883	VSCHYRLYGMZPGS-QFIPXVFZSA-N	438.462	5.013	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1Cl	1453349	LPJMZZZQOOJOMA-XNTDXEJSSA-N	430.813	6.473	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2c(ccc3ccccc32)o1	2159494	QLZCRJHNRLGRMH-AFUMVMLFSA-N	425.400	5.518	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=O	9111147	IUWMIEHFNRVMLN-IBGZPJMESA-N	442.327	5.553	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	14134461	AQDYYSHWYHWBOG-LGJNPRDNSA-N	447.749	5.919	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	209279249	LVDOAIWUDRRNBQ-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408537949	ILNFEOJAHIIMRB-CJLVFECKSA-N	438.999	7.242	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)c1	408745626	ULJIBXBTCZREDK-GDNBJRDFSA-N	441.712	6.217	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c(C)c1	408794310	ITDAQCNXESRUBU-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc32)c1	408800865	PWBCSSTYPXVLQW-RJWGELADSA-N	425.576	5.908	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C)c(C)c1	408814599	PTHPTCSIGNNSBQ-HYARGMPZSA-N	442.515	5.532	50	40	IKGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408828029	KTEBYPPFILHOFD-WPWMEQJKSA-N	426.541	5.661	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1	408870151	SAWAVQYIZHJTDD-DEDYPNTBSA-N	448.881	5.402	50	40	IKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	408873661	VWQKUVJZPFYSFV-LTGZKZEYSA-N	440.905	6.769	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(C)cc1	408887776	UBPXKIIKDDEZSO-JVWAILMASA-N	432.520	5.054	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc2cc(Cl)ccc2o1	409073700	REBVJBDCONIMOH-DHRITJCHSA-N	441.339	6.655	50	40	IKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	409074075	KAPGFVOXATWJJY-VBKFSLOCSA-N	435.892	5.048	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1cccc(Br)c1	409213311	UJYHRAITWAWCNW-WSDLNYQXSA-N	448.773	5.136	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21	409218000	GRVMIKKJHQQAPK-UXHLAJHPSA-N	431.539	5.844	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1	409224510	MALDOOJFGZKYTG-MXAYSNPKSA-N	427.287	5.285	50	40	IKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1O	409234344	ZMAYAMFKHAFPMY-YBEGLDIGSA-N	444.497	6.552	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)c1	409260515	RKFRBCMUCRESQA-DEDYPNTBSA-N	443.478	5.006	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1	2768380	JHNSRVIDXGHMIG-ZUOKHONESA-N	445.733	5.855	50	40	IKGB	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1sccc1OCc1ccccc1	3118815	DUAGJOHFLVNEEL-UHFFFAOYSA-N	442.850	5.543	50	40	IKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@H](Cl)c2ccccc2)cc1/C=C/c1ccccc1	4265879	YSMPRUOJLAHKGO-LVIAPQIJSA-N	443.286	6.933	50	40	IKGB	
C/C(=N/NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	8398467	IPNGQBUFIBHHLR-WGARJPEWSA-N	426.303	5.400	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)cc1Br	8812215	ULHCQMRXNAZWOX-WYMPLXKRSA-N	428.305	5.068	50	40	IKGB	
Cc1ccc(OCCCOc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)c(C)c1	13893665	WHJYJOMFDXBSNN-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1	15012559	PSGSSCGMXVLZBI-ZHZULCJRSA-N	425.919	6.197	50	40	IKGB	
Cn1c(/C(C#N)=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)nc2ccccc21	48289055	WVDPUZUOIRGUDE-VBKFSLOCSA-N	430.851	5.991	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1	83263157	JSRCAKYBPCTQBZ-HAHDFKILSA-N	441.531	5.433	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	83315176	HGXUCDOPUMIEQB-ZMFRSBBQSA-N	431.294	5.404	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C#N)O[Si](C)(C)C)C1	195775551	HFIRUZWOLLSWDK-UZZVPUAOSA-N	431.693	6.075	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408569190	MFJOBGMTBNHRQM-QPEQYQDCSA-N	430.277	5.326	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408582341	NBAJQERIKFZAMJ-VCHYOVAHSA-N	444.745	7.299	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408743454	AIHAKCVIZCKQPE-ZROIWOOFSA-N	449.732	5.446	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Br)cc1	408771762	IQUFOIJVADWUPI-MOSHPQCFSA-N	439.353	5.188	50	40	IKGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408843689	MSXKEYBFAMCNSA-AAFLEPTGSA-N	438.314	5.675	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2cccc(F)c2)c1	408898230	VWJOPMQNGHBXGP-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408900663	XIQKXKZUQKXXAO-AUEPDCJTSA-N	446.315	5.637	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409243629	ZDUWEGNLUJTTPW-XNTDXEJSSA-N	426.350	5.209	50	40	IKGB	
C/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)c1ccc(COc2ccc(C)cc2C)cc1	13959880	TUFXFSSBVDGXKW-OFWBYEQRSA-N	444.619	6.595	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1	18173635	PRGHRZKZWXBTOE-AQTBWJFISA-N	446.337	6.542	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl	59336205	MMIXOPDOSXFERQ-GHXNOFRVSA-N	440.113	5.858	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(C(=O)O)c1	408544143	SKNIUDMNGHFDJK-PTNGSMBKSA-N	426.350	5.209	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408724981	FSGBPXUJKBFSFN-MOSHPQCFSA-N	434.879	6.290	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccccc1Cl	408772861	SBXZUJDLTLAHFI-BKUYFWCQSA-N	438.955	5.478	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1	408819035	ZPKNOEMYLBSXPL-OQKWZONESA-N	434.495	5.973	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408872898	KVVLOHGHMPMBEX-VULFUBBASA-N	426.303	5.400	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408956179	ZBENZXAGCNBZRO-JFVYAULHSA-N	445.313	5.145	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCC#N	408990098	MLVAQIXMRNRGGD-UNOMPAQXSA-N	435.911	5.224	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409033833	GDSWCQWXUYECFZ-FSGOGVSDSA-N	445.522	6.218	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc2ccccc2c1	409206197	IHUWIAFAFLHONE-ZMOGYAJESA-N	449.510	5.199	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCc1ccccc1Cl	1439431	UHEFUMIGBJQYPC-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)CC)s2)cc1OC	6461903	FWBMRTNXDFESDH-QGOAFFKASA-N	433.533	5.630	50	40	IKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1	8757576	RATIJNOGIZIZSN-BKUYFWCQSA-N	449.026	5.116	50	40	IKGB	
O=C(N=C1CCCCC1)c1ccc(Oc2ccc(C(=O)NN=C3CCCCC3)cc2)cc1	17097589	HPQYJYBQQIJKRQ-UHFFFAOYSA-N	431.536	6.074	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	59245269	WYAMWNCLWKMCCW-LDADJPATSA-N	440.396	5.969	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c(C)c1	59336067	WTEIWDXPTQRLFU-UNOMPAQXSA-N	438.358	6.563	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1O	96476422	HFDKPBCKQJKLFN-MLPAPPSSSA-N	435.705	5.061	50	40	IKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	105660665	SNHSRAMLDHAPPJ-LFVJCYFKSA-N	441.622	5.888	50	40	IKGB	
CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1C=O	196769078	RZMBYBAVJWUVIX-UHFFFAOYSA-N	429.652	7.469	50	40	IKGB	in-vitro
N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	408756105	QVVYOCQMVJENFY-UVTDQMKNSA-N	427.243	5.351	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1	408791255	VGLHGKNFWOZMNW-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408845269	LVJSDOWZFNGJPZ-KEBDBYFISA-N	442.773	7.907	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(F)c1	409220466	ABUYEJGKPPIFKI-YVLHZVERSA-N	427.401	5.798	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1	409221805	VFUFOEJUIUMZEA-OQLNFPPLSA-N	441.531	5.055	50	40	IKGB	
Cc1n[nH]c2c1[C@H](c1cc(CSc3ccc(Cl)cc3)c(C)s1)C(C#N)=C(N)O2	1009287	UDQNWXKYQOCJIB-SFHVURJKSA-N	428.970	5.252	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1COc1ccc(F)cc1	2727021	ZPRCIHWDRUJZLS-XMMPIXPASA-N	432.495	5.145	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(C(F)(F)F)c1	8721772	MYAPGDFDQIOSRD-MRUKODCESA-N	427.209	6.036	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nc4ccccc4o3)ccc21	8837144	PWFLBUFFLSXTCT-AFUMVMLFSA-N	428.517	5.198	50	40	IKGB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	8860821	GIMWNEOLLGKEHC-RCCKNPSSSA-N	446.934	5.960	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccccc1Cl	9411465	CFBSXVDTYIFONC-OAQYLSRUSA-N	448.910	5.189	50	40	IKGB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1	16157717	GYIBLEVCVSDUEO-WGHBEHPSSA-N	440.543	6.204	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C	28216485	TWBXRDFKCJRZPR-FOGHPNEFSA-N	440.012	5.995	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1	28356053	SORBOLSDLUPTSR-OVBDPADQSA-N	430.479	5.198	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1Cl	33382954	JAVFPNNAZHHAAG-HYARGMPZSA-N	446.934	5.541	50	40	IKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)[C@H](C)Cl)[C@H]3c2ccc(OC)cc2)cc1	34781242	GYNVNGXUPLDWFT-JUMXURRTSA-N	438.955	5.454	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccccc1Br	71835782	LVFYFAIBNCPKQY-SDNWHVSQSA-N	438.237	5.163	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)c(Br)c2)c(C)c1	408604626	VTTWRUQDPXJTHC-VCHYOVAHSA-N	427.342	5.646	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1Cl	408738499	ZZDGNDQOBARIPY-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)COc3cccc(Cl)c3)c3ccccc32)c1	408992713	BGVNXIKXDPYIMX-VYYCAZPPSA-N	431.923	5.181	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409049515	XIGILDFJMJZXRG-CAOOACKPSA-N	443.261	6.684	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1	12590784	YPUUYSMXOSZCSL-CPNJWEJPSA-N	426.497	5.897	50	40	IKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	13424412	ODBOQQXXLSFJJO-CXUHLZMHSA-N	425.307	5.562	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(C#N)c3)c3ccccc23)cc1	20198097	UTQVGBLNYBHUQA-STBIYBPSSA-N	436.515	5.114	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)[nH]c2cc1C	33749678	KIGVZYNJEYCSOE-MOSHPQCFSA-N	436.946	6.900	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(C(=O)O)cc1	34713592	JKOSHXAURXLFST-UNOMPAQXSA-N	447.321	6.759	50	40	IKGB	
COC1=C(C#N)C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC[C@@H]2C1	118925203	QNZIBMSGZZXNKE-RIEQNFDVSA-N	425.701	8.142	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	408579650	JAXAMMYLLMXEFW-CIAFOILYSA-N	446.934	6.047	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1	408582193	MJRADIQGHOFNOF-LGUFXXKBSA-N	441.530	7.645	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408725640	NBJLDZFCKGVQRX-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1Cl	408726925	WPGHTBAKKVTGRW-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC	408766969	ULNASJDGXHKIRH-RQZCQDPDSA-N	437.293	5.165	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1C	408798653	WNQMOSPPPLJICA-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F	408818884	QXFBRLRXZYBYPA-ATVHPVEESA-N	441.289	6.257	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)o1	408841653	GFORCPGCBAWDPF-ZMOGYAJESA-N	432.505	5.228	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3F)c(OC)c2)cc1	408866830	JHRYHPHGLBIYOF-UDWIEESQSA-N	448.925	6.187	50	40	IKGB	
Cc1c(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(Cl)nn1-c1ccccc1	408894339	PXVFLZHZLLOZOT-XMTZNVEYSA-N	433.364	5.118	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	409233436	SFCNQKXWPYMEOK-OJTJRJJXSA-N	427.342	5.411	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccccc1F	9292854	KRFMPBRIPUUERF-JOCHJYFZSA-N	438.462	5.013	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccccc2)cc1	9833497	GLJWLOKDFGQJHY-NDZAJKAJSA-N	443.506	6.009	50	40	IKGB	
CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	14922179	YFGVVTDHUSXAJG-OJQDQQHHSA-N	446.547	5.966	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(COc3ccccc3)o2)c1C	96257610	LCLDCVGHLTYANC-LQKURTRISA-N	441.531	5.647	50	40	IKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	108947715	HRWMXBAGPCDZLA-MSXFZWOLSA-N	444.304	5.007	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	408583991	ZDJCMIMMINYOOA-DEDYPNTBSA-N	432.907	5.739	50	40	IKGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408726882	CRDVKEUDLHDATE-MUXKCCDJSA-N	441.918	5.483	50	40	IKGB	
CCN(CC)C(=O)/C(C#N)=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408790487	SFBDFJFMFMBBHQ-SDXDJHTJSA-N	437.996	5.862	50	40	IKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408830283	LVBVURIBTRHMGZ-CMPFEXHJSA-N	438.980	5.691	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1	408865376	CGJGOXCSRUTGKK-SRZZPIQSSA-N	435.354	6.747	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(-n2cccc2)cc1	409102981	CCZVIJUWVZPCPB-ONUIUJJFSA-N	431.948	6.046	50	40	IKGB	
COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1	409370149	LXPRQCTZIMNTFZ-HXUWFJFHSA-N	425.916	5.105	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12	409374744	YFMHHQLZJNATKY-XQNSMLJCSA-N	445.522	6.758	50	40	IKGB	
C/N=C(\SCc1c(C)c(C)c(C)c(C)c1C)P(=O)(c1ccccc1)c1ccccc1	2577624	MNHPIJZIABAFMF-RQZHXJHFSA-N	435.573	6.462	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1C	9404896	MUHRUWNOWGGTJH-XNTDXEJSSA-N	428.330	6.305	50	40	IKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	33553016	YPURWGBSQLOBGH-BRJLIKDPSA-N	443.334	5.123	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408760591	BIHCQGIWWDHARJ-GHXNOFRVSA-N	440.124	5.700	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(CC)cc3)c2C)cc1	408783314	MMJQBHJQEANTCR-KQWNVCNZSA-N	441.531	5.379	50	40	IKGB	
COc1cc(C)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1C(C)C	408845042	DXOVJXLIMNWNCP-KSEXSDGBSA-N	429.314	5.400	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408942694	KZAIENWVEOYROF-NVNXTCNLSA-N	445.733	6.817	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1	409249924	JVIDANWSCXWMBX-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OC	409325415	YNHVDYFTCKHARK-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
CC(C)=CCC[C@](C)(Cl)[C@H](Cl)[C@H](c1cc(Cl)sc1Cl)S(=O)(=O)O	584578358	FUWWQLYSQVIDNH-SCRDCRAPSA-N	440.241	6.335	50	40	IKGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)c1ccccc1	857765	LAUGCIUSYVWGQM-RNRKLAHPSA-N	430.335	5.239	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	948715	BORSGECRGGFZCB-GXDHUFHOSA-N	440.286	5.757	50	40	IKGB	
O=C(c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccc(Br)cc1	3157232	NURZGIQYHBZOMU-KBPBESRZSA-N	446.964	5.532	50	40	IKGB	
N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccccc1	3249151	LXRIXJCCJBIWPV-LKUDQCMESA-N	429.523	6.380	50	40	IKGB	
Cc1cc(C)cc(Oc2coc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)c1	6162616	LEPVHKZPGMCLDQ-DEDYPNTBSA-N	437.451	5.715	50	40	IKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(Cl)c1	8917320	NEPACKQWJSLAMD-NRFANRHFSA-N	437.282	5.431	50	40	IKGB	
O=C(N/N=C/c1cccs1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	13425219	LSIPJBPMDMKSON-FSJBWODESA-N	438.965	6.033	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc2ccccc2cc1O	20533989	ZJOGVKOFORZSSK-UXHLAJHPSA-N	446.506	6.042	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(Cl)c1	59336074	DJHZIPZKXJPXKE-YBEGLDIGSA-N	444.749	6.600	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118924141	VOFZBWVFCCOKSK-FTDHAIJZSA-N	441.704	7.052	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C	408544930	WDIHCDWCLQBMHQ-GRSHGNNSSA-N	433.895	5.300	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408786625	UAEOGVVSAVRBLT-STZFKDTASA-N	433.393	7.218	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408962006	FJSHJMJQVMWLNV-WYMPLXKRSA-N	442.279	5.078	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc2ccccc2cc1O	3084082	RCOCSHCZMKNNSY-JFLMPSFJSA-N	430.891	5.542	50	40	IKGB	
N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@H]1c1ccccc1C(F)(F)F	12959160	WGHXYQDRUZKKMT-LJQANCHMSA-N	445.238	5.839	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)cc1	13174259	IOCPJFGKCGIAJO-QFIPXVFZSA-N	449.601	5.111	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)o1	33646437	UZUMKHSZTFBUGU-SXGWCWSVSA-N	443.377	5.648	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1	408578798	AZTBUSACXQUVSU-RQZCQDPDSA-N	444.745	7.299	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)c1	409007700	QISPNHHFQLTZBY-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc2cccnc12	409023593	IDVBVIOVSOQKQK-TVEVAFHQSA-N	427.504	5.094	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1	797822	GPNPZQUIRXPMJL-XMHGGMMESA-N	425.463	5.383	50	40	IKGB	
CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	4065882	BUUNNRAPFDQXFY-BWAHOGKJSA-N	436.580	7.720	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl	9261889	DGSIWPRIAPWUKZ-LSHDLFTRSA-N	425.724	6.155	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1	14134806	XWDIXFLENPHQAK-FOKLQQMPSA-N	435.332	5.406	50	40	IKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(Cl)cc1	16158238	LMZOIHQKIUGFGR-LDADJPATSA-N	427.891	5.946	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	34865441	JSHLHZWJGBXSIF-RGEXLXHISA-N	441.369	6.262	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccc1Cl	59117304	CQVPIDWVYLWJSA-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	59535853	YOFPZMYTXBXRGJ-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CC(C)[C@H]1CC[C@@H](C)[C@@H](OC(=O)[C@H](Br)[C@H](Br)c2ccccc2)C1	104257186	ACZPKEKRNBBSNG-PLLDYVMSSA-N	446.223	5.890	50	40	IKGB	
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](Cl)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C	118940083	UDTZSJGXTVVSNB-JCUATARGSA-N	433.076	6.960	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2O)cc1-c1cccc2ccccc12	408726050	RRQPDLBRJYZLMI-RDRPBHBLSA-N	446.510	5.470	50	40	IKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1	408734473	GTKBZNDVESQCJZ-LPYMAVHISA-N	444.962	6.698	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	408743163	DZZVVSPKZDEJMM-ZHZULCJRSA-N	433.939	6.000	50	40	IKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	408788727	GFOJQVQOJBXTLH-LQKURTRISA-N	444.966	5.919	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(F)cc1	408814405	PEOHZTKZHZJONP-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(C)c(C)c1	408818333	XOQWAJKOKNZTHY-HZHRSRAPSA-N	426.516	5.827	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)cc1	408846995	OOQOUWDTKZZMCN-KGENOOAVSA-N	442.950	5.495	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1Cc1ccccc1F	408871961	IJMQJENBLTUICF-KGENOOAVSA-N	430.479	5.369	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3o2)ccc1OCC(=O)Nc1cccc(C)c1	409045441	YLGNKJDCKNMUQQ-UYRXBGFRSA-N	439.471	5.227	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1	1791220	ISYJCVGDCCBSEI-RCCKNPSSSA-N	431.561	6.097	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	9260180	RKVIMQAYFHNESL-MHWRWJLKSA-N	426.303	5.652	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1Cl	16789643	RFFRBMWKUALGAE-MBTHVWNTSA-N	434.326	6.363	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1C	28216314	UWLVEFSXDLNIRR-RPPGKUMJSA-N	444.362	5.547	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccccc1Cl	28216722	CGVHLWOHWFXAPI-MJDKSPQASA-N	425.985	5.520	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408747026	YALFYRPYDIXHFW-JYRVWZFOSA-N	435.705	5.055	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1	408758648	OMNFGNPMAYRYHB-XDHOZWIPSA-N	434.337	5.711	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)c(Br)c1	409161949	XMJJHSJWQUQNHD-FOKLQQMPSA-N	447.716	5.200	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)o2)cc1	409187003	KSHAFMOKAIDXAR-YSMPRRRNSA-N	446.459	5.032	50	40	IKGB	
CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1	8742340	XYZGKPGASPPAGD-ZTKZIYFRSA-N	435.527	5.797	50	40	IKGB	
N#C/C(=C\c1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1)c1nc2ccccc2s1	9097051	XWJAKJGKFXGHRW-IWGRKNQJSA-N	446.560	7.034	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	58871385	UIKHBTDECDZVJP-AUEPDCJTSA-N	439.751	6.149	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2[C@@H](C)CC1(C)C	223538507	AWCAWWFPMKKQLX-MAGMUUGSSA-N	440.591	5.546	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	408569155	ZEQBAIBVJDMBAI-OGLMXYFKSA-N	434.967	5.909	50	40	IKGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408833711	SJRIELCACVWXFP-LTGZKZEYSA-N	442.902	5.477	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c(F)cccc2Cl)cc1	408845664	LCPXMSSQNPNCBC-NTFVMDSBSA-N	431.898	6.009	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	408878392	BAQFDSBRWHPISL-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccccc1OC(=O)c1ccc(F)cc1	1253857	WDEDKKYPNGUAFP-NRFANRHFSA-N	442.471	5.478	50	40	IKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12	2312867	SPANVCAUPHQJFE-UHFFFAOYSA-N	449.260	5.792	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1	3231391	PGPLNCHXEDSISR-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c1	6924457	LHPDTAUTIRJQLT-DHDCSXOGSA-N	427.323	5.654	50	40	IKGB	
Cc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1	8396734	LBWDWTOFUUNVOU-OQLLNIDSSA-N	426.295	5.853	50	40	IKGB	
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@@H]1CC(C)C	27026697	HWTLTXFAZYSULK-KRWDZBQOSA-N	447.398	5.229	50	40	IKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	28216278	VFPYWVLPMYMBPC-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1F	33779121	NGYBSIZLOKKZBQ-BOPFTXTBSA-N	442.715	6.885	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	59474986	DMCRIULGUNWJIW-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
O=C(CCCl)Nc1nc(Br)sc1Cc1cc(Cl)ccc1Cl	67320981	SMXDOQMNDFINRF-UHFFFAOYSA-N	428.566	5.371	50	40	IKGB	
Cc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2c1C	100869145	HSDMOQMAJVFKOJ-UHFFFAOYSA-N	431.539	6.951	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	107982110	YPKRHRWRSIWCJY-XDJHFCHBSA-N	426.944	6.243	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccccc3Cl)cc21	208251382	NUBHTNPHKAZXPW-NDUKVXLSSA-N	434.367	5.245	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)COc3ccccc3Cl)cc21	223506485	FSVRFBDYLLQXEG-VYYCAZPPSA-N	439.987	5.588	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408537600	GEHPUEACKBADAN-XDJHFCHBSA-N	428.935	6.764	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccccc1Cl	408776489	ZTNXLTLFXINRSC-LCYFTJDESA-N	427.243	5.497	50	40	IKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1C(C)C	408858614	QUXLGMJFCVAPQL-LICLKQGHSA-N	427.342	5.825	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Sc2ccc(Cl)cc2)s1	409022849	UXJVKIVSRPKCKP-MFOYZWKCSA-N	446.988	6.561	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1	409046043	IHBZMDADZWBXKN-RQZCQDPDSA-N	443.261	6.684	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccc1Br	409189685	NCKWBXKYYIVTGI-SRZZPIQSSA-N	435.730	5.611	50	40	IKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(C(C)(C)C)c1O	6410884	SMPVGTCRLKIJDJ-XSFVSMFZSA-N	426.560	6.686	50	40	IKGB	
Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccc(CC(C)C)cc4)cs3)ccc12	9057824	MLIJUIMMPGXZIO-XSFVSMFZSA-N	441.556	6.400	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	17098655	RTYXJGOHEQCJPO-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	28216424	ONTYRLVWRMCFIY-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	33351320	LHDXGUTXTLTPSM-QFEZKATASA-N	430.851	5.227	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	36624487	WCDIOAKMEJUVJE-YVLHZVERSA-N	435.524	5.750	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1	408587155	RGECUIYEICDTBE-WQRHYEAKSA-N	425.271	6.545	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1Cl	408722287	GPERKZRJUDDVDT-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1	408746629	UIPOAJIZCZODTM-NDENLUEZSA-N	443.459	5.037	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)c(Cl)c1	408757412	ZRZNWZQMYBCEJN-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	408815766	UYIUGOLMNMCBNK-BKUYFWCQSA-N	433.939	5.288	50	40	IKGB	
N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408881835	KRZDLUMMARTUDS-LTGZKZEYSA-N	440.905	6.769	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1	409070530	ZMOHOAULIUQCGG-LGMDPLHJSA-N	426.766	7.318	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1O	409313813	PNTITWOKTMRUCB-DHDCSXOGSA-N	427.241	5.223	50	40	IKGB	
Cc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1	1405150	RJUWENONTIFQIG-UHFFFAOYSA-N	443.359	5.802	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br	1453945	BXDBJFCHOQOSOZ-IZZDOVSWSA-N	426.097	5.310	50	40	IKGB	
CC(C)c1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1	6147762	FVIAEYBIAUAKBG-QFIPXVFZSA-N	449.963	6.023	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	40006612	OVZOSXGBVOVXPB-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	59335007	SHYRDIFRUZESHA-ATVHPVEESA-N	444.403	5.149	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Cl)c(Cl)c1	59680256	SXXLTHIKKKVZIE-BRJLIKDPSA-N	426.303	5.911	50	40	IKGB	
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@]12CC[C@@H](C[C@H]1Br)C2	107535768	IIAWWHLXTZIUND-LCIZUOBNSA-N	431.355	5.126	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)cc1	408746825	WHBHWODDSSKDPZ-PDGQHHTCSA-N	433.851	5.373	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408804825	BPHXNDZVISUAJQ-DEDYPNTBSA-N	446.890	5.251	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408995622	MOWYEGLVJLLHQS-STBIYBPSSA-N	441.575	5.919	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccccc1	1780841	XIMAHWZQFGIVED-CIAFOILYSA-N	444.339	5.911	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4)o3)s2)cc1	2324262	GIVBRIGQLBSTCF-XSFVSMFZSA-N	425.513	5.848	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	2766066	FXBPNSHHJUNRHA-DEDYPNTBSA-N	425.919	6.197	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2C#N)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1	2846761	IUOGDCVREMGCBV-HZHRSRAPSA-N	431.451	6.263	50	40	IKGB	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3162104	VQJJQCUAPXTVPV-YLNVQIAQSA-N	430.548	5.615	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(CSc2cccc3cccnc23)cc1	3269058	ZNGLGZVAVXGNGS-MUFRIFMGSA-N	436.540	5.772	50	40	IKGB	
Cc1cccc(C)c1OCCCOc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1	9280148	GQPVOYPZBDYOED-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1nc2ccccc2[nH]1	9310436	NKNMCJYTIBSKNM-GZTJUZNOSA-N	448.295	6.108	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	32124886	HSKUEWWRMSKQIE-AQTBWJFISA-N	445.500	5.609	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(C(F)(F)F)c1	59137458	SZYYQDGDZLNDFE-BOPFTXTBSA-N	443.856	6.312	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1CC=C	59335695	YLKYIVXTYDKXBX-UYRXBGFRSA-N	437.337	5.597	50	40	IKGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408601625	KZECONIDLBXYCU-OQLLNIDSSA-N	433.733	5.683	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1	408745215	QIBQNUHEEJMOTM-JCMHNJIXSA-N	427.504	5.125	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1	408779724	IYOQINIYUBCKKJ-MUXKCCDJSA-N	442.437	5.365	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)o2)cc1	408783902	OXPNHMSFYGZDMM-ZHZULCJRSA-N	444.487	5.456	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408855638	HQCZOZSQZAJMBW-RPPGKUMJSA-N	428.319	5.348	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1Cl	408856551	CJLNZONZYJWVAE-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(C)cc1	408865672	BUVSFOWBLQGKRO-LFVJCYFKSA-N	440.543	6.081	50	40	IKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1	408878923	BTFDVCUEMQRKPJ-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1	408889351	CUZOKWYFNQVJBV-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408951467	IWFLFRVTGAANIZ-YSXYSLGWSA-N	441.369	5.305	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)c1	409040550	GQVFSHFYKAXKJL-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409221633	UBJWDYYJOLWAMJ-MWLSYYOVSA-N	446.909	5.904	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1-n1cccc1	2078371	OSMUKHXCCOILBJ-WPWMEQJKSA-N	429.907	5.474	50	40	IKGB	
COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1	2287309	XFGUGICMTKSGQY-RAXLEYEMSA-N	446.757	6.211	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cnc(Cl)s2)cc1)c1ccc(Cl)cc1Cl	8781527	NMSKVYPYXLOIDB-LIMNOBDPSA-N	440.739	5.446	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)o1	9261764	DFCCYKFWELDDAV-NTEUORMPSA-N	437.839	5.371	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl	9369662	FHVXKHJEURWJGC-OAQYLSRUSA-N	429.372	6.212	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2ccccc2cc1O	13371706	VHXKZYLLILUTKX-BRJLIKDPSA-N	425.271	5.876	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C)c1	20194566	MBCHRHHBEAVZNG-RWPZCVJISA-N	429.951	5.653	50	40	IKGB	
Cc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1	30750396	BHNZAAAOVGLWBS-FBHDLOMBSA-N	449.026	5.035	50	40	IKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	40476962	VRAWTJRBGNMAGP-RCCKNPSSSA-N	431.561	6.162	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(C)cc(C)cc1C	45165742	IRSAUWCDNGGHTK-HMAPJEAMSA-N	437.543	6.530	50	40	IKGB	
C/C(=N\NC(=O)COc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917010	RKGPVGAOUXQOOS-ZYQPSKSTSA-N	437.543	5.432	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59248421	IIPXPOZCDUJAOD-MZJWZYIUSA-N	445.906	5.363	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2[C@H](C)CC1(C)C	208318973	RZOFNXPTHCUNEU-AZGMEOBCSA-N	445.529	5.819	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1	223175202	XAAWQJNIHJTPFK-GDNBJRDFSA-N	441.270	5.586	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(Cl)cc1	408745348	MAFAIDFYGPKTJY-HAHDFKILSA-N	438.914	6.618	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1F	408794995	UIHCFMILNZYWGX-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc(C)c(C)c2)c1	408812811	TYGTVFRIUQKMQD-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(C)c1	408812929	PVCZEKXYKYHEPN-NDIVBHAQSA-N	432.564	5.575	50	40	IKGB	
COc1cccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1C	408968828	BWKZOLIBJRDWJL-UYOCIXKTSA-N	427.740	5.942	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(Br)cc1	409203735	YNXOFLRKBWIBJD-WSDLNYQXSA-N	448.773	5.136	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1	409275096	IARURYUAINBMHS-GXDHUFHOSA-N	445.422	5.377	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1O[C@@H](C)CC	409393677	YYOLMAUJYDGCTG-CIKBWMHTSA-N	425.916	5.865	50	40	IKGB	
COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)CCCCl)CC2	3006530	BZAXCGDLWQLUFJ-JOCHJYFZSA-N	445.987	5.351	50	40	IKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3c(F)cccc3Cl)cc2)cc1	3307944	BWQKYNQKPUKGRV-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)cc1	9445812	LRZKBXCLJINZRV-RVDMUPIBSA-N	426.339	5.866	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1	39884717	WWXXQJVZVGAOPJ-JLHYYAGUSA-N	442.258	6.016	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1	58835153	INMGIWPDNFITBL-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1	96663181	YUZPSIQHXKYRKV-UEIJICEPSA-N	431.423	5.311	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4ccc(Br)cc4F)c3C)nc2c1	107867162	NZLBMTPGWTWAIO-YVLHZVERSA-N	449.327	6.245	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	109773770	ALMZXRADEQIUNG-NKFKGCMQSA-N	434.580	6.679	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	223502060	JQSCJGPIFITXGO-UVHMKAGCSA-N	444.406	6.476	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1OC	408578872	BHCXZFKQWNPYDT-DEDYPNTBSA-N	428.919	6.424	50	40	IKGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408773870	TUUGNLXBBWTHTC-OPEKNORGSA-N	440.334	5.121	50	40	IKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c(OC)cc1Cl	408824174	PYTRQZIQCRWLRO-XDHOZWIPSA-N	448.906	5.482	50	40	IKGB	
CCC(=O)NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21	5486411	WESPZIXZHFIWKG-UHFFFAOYSA-N	446.648	5.536	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc(C(=O)O)c1)C(=O)Nc1cccc(Cl)c1	9262738	YQBPWRKWRPYFQE-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1	9375120	FGMQEIMIRUTDLJ-WGOQTCKBSA-N	429.524	5.199	50	40	IKGB	
Cc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)NC3CCCCC3)n2)cc1	16956840	JLOJRCLXEZYEMH-UHFFFAOYSA-N	449.580	5.704	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)S(=O)(=O)c1ccccc1	32561916	FQTDKDNWJNHPEE-UYRXBGFRSA-N	427.884	5.396	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)c2ccccc2)cc1OC	34895751	YMYJEBKGOHVQFI-QNGOZBTKSA-N	435.483	5.346	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1C	35088069	RAFGCSUTPXDGIX-DHRITJCHSA-N	446.532	5.598	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Br)cc1	71325871	FXNGTBCDVSAJGR-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
COC1=C(C#N)C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@H]2C1	118925198	QNZIBMSGZZXNKE-FUHIUUSOSA-N	425.701	8.142	50	40	IKGB	
CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(C)n2)cc1	408531914	MUCYRHNZTCWGPY-CFRMEGHHSA-N	427.957	5.715	50	40	IKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	408554226	QWHAXPNTRPNGAG-GZTJUZNOSA-N	434.540	5.092	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408744302	DWEZFPWXYMAUHZ-HKWRFOASSA-N	431.967	6.591	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	408789728	KMGOLKSTXNJHIN-PXLXIMEGSA-N	426.472	5.072	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1cccc(F)c1	408811981	MHZFSXYBIBTDBQ-HAVVHWLPSA-N	437.518	5.403	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)c1	408882350	MOYNOOSSDUHSKU-HAVVHWLPSA-N	436.942	6.938	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc(Cl)c1	408886836	JEDZELLCAXKPJJ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1	408889156	FFXIBEGAQOSRLI-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408962767	UROBDOOLQBIESQ-RMORIDSASA-N	444.230	5.672	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1Cl	408990929	PBADSGZXZWTKKR-NDENLUEZSA-N	446.890	5.471	50	40	IKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccco1	408994818	JNLGIWMXQCSBKF-BRPDVVIDSA-N	431.495	6.168	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1	409055482	YXVIZYZMKRAVHL-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	1059906	ITPODYRTQJLYFW-MFKUBSTISA-N	428.448	5.026	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3C)o2)cc1Cl	2055717	KMARAIHTFFGVFG-MZJWZYIUSA-N	438.955	6.043	50	40	IKGB	
COC(=O)[C@H]1C(O)=NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1C	9012625	MFWSLHYPMJUUSZ-DHIUTWEWSA-N	442.540	5.660	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1	9374797	HKZVGOYBGSDKTO-GZIVZEMBSA-N	428.106	5.454	50	40	IKGB	
Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1	9445819	VBYXFAYJEODYFM-NTEUORMPSA-N	440.322	5.586	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1C	9693308	FYBCXRQKFWRJPY-MRXNPFEDSA-N	427.932	5.315	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1O	12140020	QPYLEHNONMRFCH-FRKPEAEDSA-N	441.350	5.968	50	40	IKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	13137204	NODOXQHZMXHKFY-GZTJUZNOSA-N	440.746	5.230	50	40	IKGB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCC)c(C)c1	16701244	GLFJVJLYGXTYBV-SILNSSARSA-N	428.536	5.070	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC	59484035	JRTDYWHPZQMUTB-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccccc3Br)cc21	208458465	PYLOVBKPLGAEFZ-ZMOGYAJESA-N	426.358	5.153	50	40	IKGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408788946	NGXYIMHUBNMZHH-XDHOZWIPSA-N	448.906	5.482	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)o1	408797834	UBKBZNKUCHEWLI-NTEUORMPSA-N	437.839	5.371	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	408874287	AWBSSRIBYSNYPH-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(Cl)s1	662585	YURWXKXJGSOBRG-ZMOGYAJESA-N	425.966	6.141	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	679131	PAFCVMYSCYYMQA-QHCPKHFHSA-N	448.950	5.678	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)c(C)c1	985552	UVNPWJBHVLDNNA-GOSISDBHSA-N	425.319	5.527	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(C(C)C)cc2)c(OCC)c1	1911666	RNWIZQVSEGQUGP-PWGZALKNSA-N	433.504	5.298	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C/c2ccccc2Oc2ccccc2[N+](=O)[O-])ccc1C(C)C	3013845	CIQLYZKMULBFON-CVKSISIWSA-N	447.491	5.348	50	40	IKGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)c2coc3ccc(Br)cc23)c2ccccc21	3770846	BYAYHVXINDXTNE-VXHUXDJESA-N	438.325	5.885	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(F)cc1	8812191	GEZFIZHRUJQPEH-KKMKTNMSSA-N	440.305	5.899	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(F)c1	9259517	HEDOMAWREBQTAM-XODNFHPESA-N	430.870	5.118	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)c1	28215981	UQVUNMHKOHZLGN-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
CCOc1ccc([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	34687802	HUUWSLPHLZNUNY-FPGHNAPASA-N	444.579	5.350	50	40	IKGB	
S=c1oc2ccccc2n1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100687581	DSVPVRXZLAMOBH-UHFFFAOYSA-N	426.501	5.915	50	40	IKGB	
O=C(O)CCc1ccc(N[P@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1	104392386	VQWMUWDICPSOFR-NDEPHWFRSA-N	445.283	5.082	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(I)c1	408756501	VTOIINKYHOKCDG-IZZDOVSWSA-N	443.071	5.144	50	40	IKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408798984	XUUWAMVAJNCQFZ-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	408814488	VRWBBXLURGUHKA-HMMYKYKNSA-N	438.458	5.809	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)c1	409271152	KCZOPPLNKBPAHW-UNOMPAQXSA-N	445.906	5.212	50	40	IKGB	
COc1ccc2nc(NC(=O)N[C@H](c3ccc(C)c(F)c3)C(Cl)Cl)sc2c1	3212545	XQFSXRBQGTWUPN-OAHLLOKOSA-N	428.316	5.419	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1	3885211	LMUSDELPFRNPKF-SKXMAYPPSA-N	433.766	6.355	50	40	IKGB	
CC(=O)[C@H](Cl)[C@@](C#N)(c1nc2ccccc2s1)[C@@H](C#N)c1nc2ccccc2s1	8782800	HDACPNLLLJNGAP-FPSMJMQUSA-N	436.949	5.171	50	40	IKGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)c(C)n1-c1cccc(C(F)(F)F)c1	12558863	IJUWORQMBADRIC-NTEUORMPSA-N	429.354	5.404	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	28216727	DEPXSSXVYUDZKN-MJDKSPQASA-N	425.985	5.520	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	40961746	GUTPJTIABXNUHO-VULFUBBASA-N	433.964	5.585	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl	408588896	WYNGVRSPAYBCHA-SXGWCWSVSA-N	436.169	7.772	50	40	IKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl	408728742	SJQLNCIYGIKRLM-ZOCVZFIWSA-N	449.319	5.081	50	40	IKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408811528	KKEFCBBTYADSMA-IQFISFIMSA-N	436.353	5.274	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408816679	VCYUEXGRSBKEQF-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1	408854929	BHLAYYUUZCPNGL-WGARJPEWSA-N	434.879	5.438	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c(OCc4ccccc4)c3)cc2c1	409188417	ZANBRRBPWOEGMW-YUMHPJSZSA-N	444.487	5.183	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccc(Cl)cc1	3396666	OLQNYVSTDVJBSW-AZRQGOPLSA-N	425.985	5.698	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1	6016483	LOVKWKUDQPBPPC-MFKUBSTISA-N	430.533	5.018	50	40	IKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1	8692084	JIUOFWOOWFTSGM-TXLKMDORSA-N	437.543	5.676	50	40	IKGB	
Cc1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2)c(C)c1	8984942	ITWDVJBGJOQLNY-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@@H]3CC[C@]12C	12401396	QNEPTKZEXBPDLF-AYLIVYOXSA-N	449.119	8.772	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(Cl)c1	59201282	IDHJHLMENMGUOM-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	59297029	UJXFMKQTLYEKFD-DEDYPNTBSA-N	436.433	6.139	50	40	IKGB	
Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc(NC(=O)CCl)cc2s1	59417616	AIYRMSOARYDINC-UHFFFAOYSA-N	433.042	6.680	50	40	IKGB	
CC(C)[C@@H]1C(C#N)=C(N)Oc2nc(SCc3ccccc3)nc(OCc3ccccc3)c21	95117458	LKVOMGVNKCCEFT-HXUWFJFHSA-N	444.560	5.174	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccccc1Sc1ccc(Cl)cc1	108100660	MABQNUUSHKXBAT-YUMHPJSZSA-N	446.959	6.417	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(C(=O)O)cc1	108972283	SDNOHYCQLYGZCO-XKZIYDEJSA-N	443.455	5.125	50	40	IKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21	208447224	GAZFBVVBYFRLNU-YVLHZVERSA-N	436.353	5.626	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2ccc3ccccc3c2)cc1	408550921	KSGFYBSKAXORRM-USHMODERSA-N	425.531	7.945	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789668	QVJZQFUIMXJEKA-JLHYYAGUSA-N	425.853	5.538	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408794330	ICBJSHRAHAUYML-WUXMJOGZSA-N	440.113	5.858	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	408878719	ANNICQARBONPOX-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
COc1ccc(OC)c(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1	408972032	OKUIYCFHOLQIJI-UYOCIXKTSA-N	443.739	5.643	50	40	IKGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	408996452	PCIFYZIDUNXSCX-DICXZTSXSA-N	425.488	5.018	50	40	IKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409101705	QPYNZSOBMKCTNY-VYYCAZPPSA-N	448.897	6.203	50	40	IKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1C	15276592	AHGQURHVOFOOJN-PCLIKHOPSA-N	426.516	5.515	50	40	IKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C\c3cc(OCC)cc(OCC)c3)n2)cc1	25608029	AWSGWMQJGZVLMI-XKZIYDEJSA-N	432.589	7.014	50	40	IKGB	
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\NC(=O)c1ccc(Br)cc1	26442299	LUBDSIQYEWEUJT-NMWGTECJSA-N	448.773	5.064	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	28216193	LRKZUEWATMGBAS-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	34689794	HHTPFOJHSKALCJ-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	59117421	YOPKXWJURURZSK-WDZFZDKYSA-N	426.097	5.310	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1C	59336022	CCRGFFPDCQJHGA-UNOMPAQXSA-N	438.358	6.563	50	40	IKGB	
N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1	100715922	IYKIEGLWNIIAQZ-RAXLEYEMSA-N	440.311	6.200	50	40	IKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1C	100729749	PMWNZSRLHUYQAW-RGEXLXHISA-N	449.535	6.663	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408580384	PBXPDCVEMVDONV-XDHOZWIPSA-N	445.431	6.067	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)ccc1OCc1ccccc1	408719569	GJLBWDHEQKOUGD-OJWZXOLNSA-N	434.561	5.295	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408795643	LWKZCKWGIQYXGR-KGENOOAVSA-N	427.460	5.282	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)c1	408802765	HDTKKLJYTCDOIQ-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408808257	FESLBBJTCHUGHD-RCCKNPSSSA-N	446.934	6.253	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cccc(C)c2)c1	408816706	SBYUFZKYPUYYID-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1	408963806	ADTBPVIFRRHZNT-NDENLUEZSA-N	439.471	5.221	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(C)cc1	409189793	IUAGYSGRSZRGQM-NDENLUEZSA-N	438.955	5.592	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O[C@H](C)CC	409208779	CADIPMVTQGYXLC-AYCSXLNKSA-N	445.313	5.997	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc2ccccc12	409316859	MVIXELPYCONPCN-JCMHNJIXSA-N	440.340	7.245	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(Cc2ccccc2F)c2ccccc12	818715	ZWGSOZLVUCTFNB-XMMPIXPASA-N	441.506	5.280	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	1453243	CLRJHIKXLPIOTG-OVCLIPMQSA-N	444.343	5.595	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1	2553535	UXIHYWCAASXDCS-OVCLIPMQSA-N	444.343	5.595	50	40	IKGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)c1	3310145	DSBIMBKCSAZOBB-MZJWZYIUSA-N	430.504	5.190	50	40	IKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	17286341	DRIVWUSGTISJPM-GHRIWEEISA-N	434.477	5.262	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)c2C)cc1	41120742	QAADPXCVQVELFS-XSFVSMFZSA-N	426.545	6.461	50	40	IKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cc1ccccc1	59336628	XEODRBXKYAVHHG-RGEXLXHISA-N	437.326	6.138	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	59437060	DXOWMEPCEYHGTM-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	100860045	ZYZQPYZMTNTFQF-SSZFMOIBSA-N	428.388	7.436	50	40	IKGB	
CCCCCCC[C@@H]1CCC/C1=N\NC(=O)c1ccc(N(CCCl)CCCl)cc1	104048519	KSBXSPHUDZRVJZ-MJOLOOBESA-N	440.459	6.217	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccc(Br)cc1	408569059	YUGJMZRJVOKLIJ-NHDPSOOVSA-N	445.316	5.973	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408712005	VJLUGUZXZVEIEB-LQKURTRISA-N	445.950	5.435	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl	409019635	KAVTXQSFFLKOAS-MLJKTZRHSA-N	433.733	5.825	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1	409063454	LBJYDRRBLNZHCA-CJLVFECKSA-N	442.515	6.066	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1	409210502	KXIRQBYCRMOMEA-QINSGFPZSA-N	441.228	5.054	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)NC(=S)N1	409369129	DCKAKCTYEBOFFJ-LJQANCHMSA-N	446.403	5.915	50	40	IKGB	
CC(C)(C)OC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCCBr	575631049	MXTCGRXDYQEVEG-CVEARBPZSA-N	436.507	5.951	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3)cc2[C@@H]1c1ccc(Br)cc1	2316995	QAPRFNCWCBXYBR-IQFHQVDXSA-N	446.304	5.123	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1Cl	9261832	HRJBHXUCHDIEHU-VULFUBBASA-N	434.879	5.438	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(Cl)s1	12312142	DOZWEBAHEOIBRC-WGOQTCKBSA-N	440.996	6.432	50	40	IKGB	
CC(=O)N(c1nc(/C=C(\C#N)c2nc3ccccc3s2)cs1)c1ccc(F)cc1F	15188335	PFLGGFHCHMLKTH-MDWZMJQESA-N	438.484	5.780	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1	40006666	UUXNDADTYITZMP-FYJGNVAPSA-N	432.907	5.151	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2[C@@H](C)CC1(C)C	223574588	RWIYCWDBNQYUBO-CTOFZRSPSA-N	429.564	5.730	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(CCCC)cc1	408528611	FNXNHLITONNDPP-JLPGSUDCSA-N	431.374	5.735	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1Cl	408589977	NSJAWAPHMUCFOJ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1	408890135	OKGHMCBNHIKYRP-QGOAFFKASA-N	437.326	6.427	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br	408904928	QONMEQBSQFWXRI-NHDPSOOVSA-N	443.257	5.081	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N3C2)cc1	9693578	GLNUQLVUVZNFER-QFIPXVFZSA-N	433.577	5.257	50	40	IKGB	
CCc1ccc(OCCCOc2c(/C=N/NC(=O)Nc3ccccc3)cccc2OC)cc1	13895611	RQVQYNIJGZHJBZ-ZXVVBBHZSA-N	447.535	5.261	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1C	33785547	XHEBJKPEVWCNRB-PDGQHHTCSA-N	439.471	5.143	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	59336257	IYWDQEGWULDPLI-JYRVWZFOSA-N	435.694	5.213	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	59464375	RIBRFPCQCSPTDO-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
C/C(=N/NC(=O)c1cccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	95680529	RPBOFWLDDKKPSC-NQWIHDDBSA-N	437.628	5.207	50	40	IKGB	
CCCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	105438881	NYROBHUMTURQDP-LFVJCYFKSA-N	431.374	5.839	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccccc3Cl)cc21	208463623	ZAMPOVQSAMWXFX-ROTLSHHCSA-N	432.351	5.154	50	40	IKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1	225536749	KEDWDKJIOXXCAU-UHFFFAOYSA-N	447.329	5.209	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br	408581710	YZHPCMFAWAMRGZ-NTUHNPAUSA-N	441.550	6.328	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1	408790165	ULVZAMGEWZBTPK-NTEUORMPSA-N	427.287	5.709	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)c(C)c1	408809332	RLDFLOAZZLHESO-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)c1	408848750	SKBQGQNTNBPQNX-CFRMEGHHSA-N	439.357	5.629	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OC	408985057	UTPUSAYZIMRIJM-SXGWCWSVSA-N	445.744	5.694	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1OCc1ccc(Cl)cc1	409037386	NKHKYZTYUJCXBQ-BHGWPJFGSA-N	433.291	5.246	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409066508	LJUIPQOOHSUZSE-JAIQZWGSSA-N	440.959	6.500	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1[N+](=O)[O-]	409186260	ZOSDBEMLNMDBCA-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2c1	409188177	XENRNVQHCIHPBX-BRJLIKDPSA-N	443.286	6.162	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1C	409201183	MELXKYYCCIDSIT-DHRITJCHSA-N	425.985	5.607	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)oc12	409239017	YMTVXWICQLAESC-MBTHVWNTSA-N	441.462	5.347	50	40	IKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409337415	YGRGLPSCSNVVKP-MRXNPFEDSA-N	433.360	5.664	50	40	IKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	2702248	XVTFQLZUFANVLJ-RDRPBHBLSA-N	445.526	5.468	50	40	IKGB	
CN(C)c1ccc(/C=N/[C@@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1	3304915	CQZDGVAIRHMEKY-BYLIZPFLSA-N	438.511	5.884	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	8952105	DBMWNUBFFUHGLB-YUMHPJSZSA-N	444.922	5.030	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](C(C)C)C(C#N)=C(SCC(=O)c2cccs2)N1	9086928	PUTUQHGGAUMUSS-FQEVSTJZSA-N	437.590	5.187	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1	27563337	GPBXBNXOFDWOEF-KGENOOAVSA-N	431.561	6.152	50	40	IKGB	
Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	33646058	JLGKSZXNDWCFFY-ZHZULCJRSA-N	438.443	5.879	50	40	IKGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1	33661150	VBELFUHACWPSBM-TWKHWXDSSA-N	433.511	5.760	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)NC1CCCC1	59254961	XCXLOQPVCCSHSW-BOPFTXTBSA-N	443.316	5.133	50	40	IKGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	95483896	JIUJBHPEVAOFJS-OAQYLSRUSA-N	440.565	5.287	50	40	IKGB	
O=P(Cl)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F	104816710	JGAPREAMGBVJLL-UHFFFAOYSA-N	448.536	5.882	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccccc1F	108947345	VZACSBWPLTYSHK-BOPFTXTBSA-N	426.260	6.370	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208244819	YHTFJFYHEMUZBL-DUPVFGOHSA-N	442.390	6.570	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)c1	223605519	CLELDEZQDSOHTH-DHJMFLCTSA-N	429.608	6.658	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408734670	IIPACVCNQSSDSO-OQLLNIDSSA-N	431.717	5.521	50	40	IKGB	
Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1cc(C(C)C)c(O)c(C(C)C)c1	408847554	NJKNEKNGFNWGDL-RQZCQDPDSA-N	441.369	6.256	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Cl)c1	408899110	ZCFNXRMBGSCBGO-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)NCCCc1ccccc1	409238238	WJQSJNWYTGASRJ-QJOMJCCJSA-N	430.935	5.575	50	40	IKGB	
O=C(CNC1CCCCC1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	409386329	MNQWROMKMKAHCC-OCSSWDANSA-N	438.575	5.215	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c([N+](=O)[O-])c1	9057804	MCZXGEULICPCDB-FMIVXFBMSA-N	447.303	6.010	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	13647895	RKRRYZDCZBHXRU-WUXMJOGZSA-N	432.288	6.098	50	40	IKGB	
CCC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Br)cc2s1	20132659	ZTPQVLVQHQPKOO-NSHDSACASA-N	434.197	5.684	50	40	IKGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	33628926	LUXNWHWGOOUOLT-UVTDQMKNSA-N	426.259	5.028	50	40	IKGB	
CCCCCCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1	102989905	AMVPGJPRNZWOLS-NMWGTECJSA-N	426.564	5.923	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21	208464880	JYQZFZYFVCGEFR-XKZIYDEJSA-N	438.575	5.374	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(F)cc1	408545131	YWZASFJATFZBJC-BKUYFWCQSA-N	441.506	6.361	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1	408581683	YVRVZWCIWLJZBQ-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cccc(Cl)c1	408599266	RGTFUHKAWWEPIT-LCYFTJDESA-N	429.657	6.335	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3F)cc2-c2cccc3ccccc23)cc1	408725028	NPCRAZSYRCIZMW-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408809246	KUXGOWJOOCUBQU-SFQUDFHCSA-N	428.916	5.472	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl	408882748	SCNNDIIESMSPSG-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409323411	OWXDCRFCWDSGCC-HNNXBMFYSA-N	447.343	5.052	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)sc2c1CC[C@H](C)C2	1302722	CLPQHBYVBGNZSF-AYYGCFCKSA-N	433.533	5.077	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Br)c1	9190147	VMBXYHHNEFAFHN-AFUMVMLFSA-N	432.321	5.216	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	9261944	WFVAOLGNSPUJEF-LGJNPRDNSA-N	436.968	5.323	50	40	IKGB	
C[C@H](Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)N/N=C/c1cc(Cl)ccc1O	16322143	RBXIFXGTFHHIJQ-XHCMJAMOSA-N	445.302	5.409	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Cl)cc1	58627268	KRXLXCWNNOEKDE-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cccc(Br)c2)o1	100387607	LEPPFLGVCOPRHE-MFOYZWKCSA-N	443.304	5.718	50	40	IKGB	
C[C@H](Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527409	NUABQNAXVHFXIT-REOHCLBHSA-N	426.998	5.509	50	40	IKGB	
CC(=O)OC/C(=C\C#N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118932860	GLGIQLSIIQHBKV-NMVLJSNPSA-N	439.596	5.510	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1	408579336	FVWZBEMGCTWBOK-LICLKQGHSA-N	444.745	7.299	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)c1	408744800	NAXOBVZCHUPMDJ-UYRXBGFRSA-N	434.337	5.711	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1	408788310	JNIHRZOOBXIREF-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408872818	JHCVIRTWVJMFIF-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Cl)cc1Cl	408886252	JBUCUXGKTITSOI-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)c1ccccc1	409235104	YOHAUZOXUDSWHS-MIDMBNTASA-N	449.510	5.172	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12	409238367	XFLKTFGCIJZFFS-MWLSYYOVSA-N	446.909	5.904	50	40	IKGB	
Cc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	409264451	LKQCPEDBIAQHPN-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc2ccccc12	409315050	MQJRYMZTNGIBLE-MOHJPFBDSA-N	445.949	8.290	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(Cc2ccc(F)cc2)c2ccccc12	818717	AEPHVVKYXZLFCI-XMMPIXPASA-N	441.506	5.280	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	8780913	FAJUZTNJSZPXQN-ZSOIEALJSA-N	441.270	5.806	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1	9200759	YHOBVYRHEZJTFX-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1cc2ccccc2cc1O	9934819	KAEJEZVAAINBFZ-JFLMPSFJSA-N	444.874	5.182	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(Cl)c3)n2)cc1OC	13576859	OMXWNANBWMUWSH-WLRTZDKTSA-N	433.316	5.904	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	33438148	FBQWRLMMKXESTD-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	59335252	IZGGJGBXDIVSSN-DHDCSXOGSA-N	431.717	5.521	50	40	IKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NN(c1ccccc1)c1ccccc1)c1nc3ccccc3nc12	100920246	CHJOBZTUWJJCAQ-FQLXRVMXSA-N	448.570	5.828	50	40	IKGB	
FC(F)(F)c1ccccc1N=P(Nc1nccs1)(c1ccccc1)c1ccccc1	103411589	YCRWKHLTVLAXEN-UHFFFAOYSA-N	443.434	6.673	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC	408550821	KCBFTSQQQINYCG-MTJSOVHGSA-N	434.333	6.630	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1	408763310	ISXBENBMSKWZJQ-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408816707	ZCNIMMAOYIEUAZ-CJLVFECKSA-N	442.515	5.609	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)o2)cc1	409063469	LIQYSADGXHZWAG-CAPFRKAQSA-N	444.487	5.458	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NCCCc1ccccc1	409234304	KSFXLSSLEXHBOU-QJOMJCCJSA-N	437.518	5.485	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	2421430	UNAXUTMTCWHYDI-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1N[C@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1	2581833	CFQPTFRAUHXYNG-DEOSSOPVSA-N	432.416	5.621	50	40	IKGB	
N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	9183511	ARDQHUQRUUHRAB-RGEXLXHISA-N	448.378	7.760	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Br)c1	9934443	WQJXWGFZJIQWSY-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	13097026	ZCKHLMYWGXPAIO-JONNVXJTSA-N	431.495	5.429	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)c(C)c1	20195318	FINPGDYWQFTYNB-FDAWAROLSA-N	447.538	5.600	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(F)cc3)o2)cc1	33667348	IUJPBRRQHFPTON-DICXZTSXSA-N	431.467	5.169	50	40	IKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	59473393	WDAHAQHKDKHTJQ-FYHAJLKWSA-N	438.936	5.190	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)nc2c1	108165870	FEANEBKYIWDGFX-KOEQRZSOSA-N	428.539	7.010	50	40	IKGB	
CCN1c2cc(C)c(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc2C(C)=CC1(C)C	208520100	ZRMTVVZWKSIQFY-NHDPSOOVSA-N	435.575	6.025	50	40	IKGB	
Cc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	408552442	IMLIUFSLTWNROB-LFIBNONCSA-N	446.963	5.797	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1Cl	408768902	LKSKJBHEUWXJIR-MFOYZWKCSA-N	433.335	5.403	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)cc(C)c1OCc1ccc(Cl)cc1Cl	408851016	ULYSJFPZIIZMIP-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OCc1cccc2ccccc12	408892011	XERTURIYWPANEH-HAVVHWLPSA-N	434.495	5.973	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)ccc1OC	409315523	IYZLXGKLCVEAGI-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1cccc2ccccc12	409362571	RKZCCKWKMJFFPJ-MIXAMLLLSA-N	438.527	5.429	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1Cl	3286713	NUHWAWJMMUPDDW-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1Cl)Nc1ccc(Cl)cc1	8782098	AYNBSAJLZBOPOW-UHFFFAOYSA-N	430.291	5.039	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)c2ccccc12	9311508	FXBPNSHHJUNRHA-MOSHPQCFSA-N	425.919	6.197	50	40	IKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O	13839105	VRIMSNOVAQRZTO-NSXTUZQOSA-N	437.297	5.263	50	40	IKGB	
N#CC(C#N)=C1C=C2C=C(N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC[C@H]2CC1	22036155	IJBIIFWMFNAWQC-HSZRJFAPSA-N	446.598	5.751	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1	59432621	QWEOUHBRPRRZKD-HZHRSRAPSA-N	426.516	5.827	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(C(=O)O)cc1	408541228	CDSPRHWQSWWNQC-NTEUORMPSA-N	439.221	5.380	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC	408585953	KLWBELZJMKCNSK-MLPAPPSSSA-N	427.125	6.227	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)ccc1Cl	408588944	XIRSDTREMUOEKD-ZSOIEALJSA-N	432.690	6.758	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408812071	LDGGNVGSHGENEH-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)c(C)c2)c(Cl)c1	408882394	MXTDJHLENXHCIR-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)n1	408980831	YGCWBCRQSMEPPN-YBFXNURJSA-N	436.309	5.089	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(C)cc1	409249820	OZFTVBRLHNAUKV-UQQQWYQISA-N	440.543	5.239	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	409259936	IATRPMZSJCIYNA-RGEXLXHISA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	942175	LXSPLIWZANAJGT-UVTDQMKNSA-N	427.338	5.419	50	40	IKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1OCc1ccccc1Cl	3289189	SBLNOTNJHWMJHJ-UVHMKAGCSA-N	432.829	5.702	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCCOc1ccc([C@@H](C)CC)cc1	4196626	UXJRHKCIYGRLBZ-VQGOXPAXSA-N	441.571	7.121	50	40	IKGB	
Cc1ccc([C@@]23C[C@@H](C)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452019	QZQNBOQVPHCQLF-KXVHNFKESA-N	430.935	5.284	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	10058861	QDOYXZNTEWJCDL-LCJWJQHCSA-N	445.346	6.296	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	16409012	CVXQOCKJJZKGEX-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C	59292100	HKYSXEAEQMAGIL-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F	59922249	YOAYCFOOMPHPIR-XODNFHPESA-N	446.400	5.196	50	40	IKGB	
CCCCCCCC[C@@H](Br)[C@H](Br)CCCCCCCC(=O)O	100053702	UXHXSKUOVZUHBJ-IAGOWNOFSA-N	442.276	7.079	50	40	IKGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\c1cccc(C(F)(F)F)c1	104091873	KILYVVZNIZYYBH-ZMFRSBBQSA-N	449.300	5.757	50	40	IKGB	
ClC1[C@H]2c3ccccc3[C@H]1[C@H]1[C@H]2[C@H]2C=C[C@H]1c1c(-c3ccccc3)oc(-c3ccccc3)c12	104105384	PFEHDIPYECHLSW-FAEUJZKVSA-N	446.977	8.099	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccc(C)cc1	408543905	QNVYHTWBTGRCLX-MYYYXRDXSA-N	439.511	6.074	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Br	408598768	JMPCBVFRGBVYSQ-SFQUDFHCSA-N	449.377	6.390	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408797917	DAHQKKQWFAOGCB-HYARGMPZSA-N	446.510	5.424	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc12	408848533	ZNMABAHURXCDNR-CFRMEGHHSA-N	437.293	5.511	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc2ccccc12	408894580	IJSMZOUFZFHVAM-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(Br)c1	409234751	XYUBFMQOBNOZPC-OJSPLJLUSA-N	448.364	5.641	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1	409303116	LNPUDEGSNRQWSO-MRXNPFEDSA-N	430.982	5.213	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	1189352	KGMJUQUUPYIKMC-JJIBRWJFSA-N	435.502	6.446	50	40	IKGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1sc2ccccc2c1Cl	1776639	IJGMJRXUDKBRQZ-QLYXXIJNSA-N	445.931	5.236	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(C(F)(F)F)c1	9933373	MYAPGDFDQIOSRD-KIBLKLHPSA-N	427.209	6.036	50	40	IKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCCOc1cc(C)ccc1C	13939949	LKRKEWHNRGHYDK-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
N#C/C(=C\C1CCCCC1)c1nc([C@H]2C=C3C=C(Br)C=C[C@@H]3OC2=O)cs1	28465146	YGNZJNYMXCVOBU-FKJOGZMPSA-N	443.366	5.414	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1)c1ccc(Br)cc1	72231291	WQESQGKJCNVGKR-KCYFPNEXSA-N	448.320	5.130	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	208255792	UNOURNLBHIQAOG-PKCARXMOSA-N	437.893	5.845	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	408543111	PAVBUHUFQRNVQP-PTNGSMBKSA-N	445.862	5.180	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1Cl	408568899	XJNHVRAKMABNKH-FBHDLOMBSA-N	449.337	6.907	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408776266	XUGIUYSMHAQRLN-SXGWCWSVSA-N	433.733	5.113	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)cc1	408811652	KLZCHBVLBYZGJP-HZHRSRAPSA-N	440.499	5.215	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	408868879	NYDOGRRSVLLLIH-OPEKNORGSA-N	447.387	6.254	50	40	IKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccccc1F	408883936	XFDVZVLWVPYDJQ-HMMYKYKNSA-N	440.449	6.243	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(F)c1	408968564	XIANMJWKWPNHGW-KKMKTNMSSA-N	442.277	5.347	50	40	IKGB	
COc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409057510	PLBCHWZMNGBLKK-WUXMJOGZSA-N	438.075	5.193	50	40	IKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc2cc(Cl)ccc2o1	409246119	FFLVKMORSWNQSN-MUXKCCDJSA-N	445.881	5.992	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)NCCCc1ccccc1	409247037	BLJJULKOQCNGOW-LGMDPLHJSA-N	435.867	5.164	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693290	WUWKTLOBKGAWBK-KRWDZBQOSA-N	442.009	5.590	50	40	IKGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	16917425	OGAFTXCWEFNZHM-JLHYYAGUSA-N	430.316	5.880	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)c2ccccc12	59535692	PDJPYMLWQDVPCM-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
CCOC(=O)/C(C#N)=C\c1ccc(C[P+](CC)(c2ccccc2)c2ccccc2)cc1	102919350	XCGHLKOWSNWZDT-CLCOLTQESA-N	428.492	5.345	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	209483180	NHRLKPKMZPUBOY-RGVLZGJSSA-N	434.879	6.208	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)cc1	408544329	VODWWQKPCAMAOT-RCCKNPSSSA-N	439.515	6.461	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1cc(C)cc(C)c1	408873632	UBXBTTQTVPWBSD-YDZHTSKRSA-N	444.962	6.492	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)ccc1Cl	409203433	XCSYAYAQQXOICO-FOWTUZBSSA-N	426.900	5.133	50	40	IKGB	
O=C(Cc1ccc(Cl)c(Cl)c1)N/N=C(/c1ccc(Br)cc1)C1CC1	17094704	SFRMOBAVYYUATQ-PTGBLXJZSA-N	426.141	5.229	50	40	IKGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	59335858	UQEHIBMVFVIOMY-WQLSENKSSA-N	439.140	5.368	50	40	IKGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC	109043021	GVRLCKLCXQRMKM-SSDVNMTOSA-N	447.900	5.024	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408539098	SRMBKPKQQWUJAZ-GHRIWEEISA-N	443.341	5.659	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408726651	UPRLPMMONKHVHG-STZFKDTASA-N	446.934	6.036	50	40	IKGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	408765831	YGWYPKCFUVQNLB-GHXNOFRVSA-N	440.124	5.700	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408795381	VFXGJLPICZOUHF-PXLXIMEGSA-N	449.466	5.873	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1	408805594	HDQGUGCTNRMYOV-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1	408866501	HAGLBVRHSMYLMH-CJLVFECKSA-N	428.463	5.139	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(Cc2ccccc2F)c(OC)c1	408872559	GKVRSBMFFBVIIN-UDWIEESQSA-N	448.925	6.187	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408880279	HBHVENYQNFPMFD-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1	409326753	NPBUKHDECHFQGR-IMRQLAEWSA-N	432.520	5.217	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)c4ccncc4)CC[C@H]32)C1	2038441018	PXMZBKQJYAKCCM-MHRSRVOESA-N	449.595	5.062	50	40	IKGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	6074000	ODBOQQXXLSFJJO-SXGWCWSVSA-N	425.307	5.562	50	40	IKGB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c1	13750402	WKONOKVYUJPCCQ-HKWRFOASSA-N	448.551	6.612	50	40	IKGB	
Cc1ccc(/C(=C\C=C(C#N)C#N)Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1	16291454	CKBKPQHYGFFWRV-NTUHNPAUSA-N	441.170	7.110	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c(C)c1	20194407	WZBMKPMUUMCXOI-ZMOGYAJESA-N	425.326	5.327	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(F)cc1	111902950	YYQMNVWPNLOILX-CPNJWEJPSA-N	434.442	5.488	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	208248932	ZFBQKIFYSWOJMP-PJAVDKHJSA-N	435.955	5.685	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C)cc1	408726137	PYVXNPZAIZWLHA-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c2C)c1	408760744	FHZXBEAPNBFOFF-CFRMEGHHSA-N	434.590	5.255	50	40	IKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408815210	PRHQIWKTJRITGP-SAPNQHFASA-N	431.289	5.160	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	409211631	MEUTZAOIESGYTF-HJQVIKLGSA-N	441.380	5.422	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc21	409247482	CMOAEFCLFAIXJO-UXHLAJHPSA-N	437.587	5.988	50	40	IKGB	
O=C(CNc1ccccc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409369294	APOYJWBDCJRGSD-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(COc2ccc(Cl)cc2)c1	1073914	YOPQCXWWTHGSLM-JOCHJYFZSA-N	434.923	5.370	50	40	IKGB	
O=C(NNC(=S)Nc1ccccc1)c1nc(-c2ccccc2)sc1-c1ccccc1	3114715	BBFDLIJYPDXLGI-UHFFFAOYSA-N	430.558	5.109	50	40	IKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C1	8442015	ZWWHJEAUDGIKPW-MOXGXCLJSA-N	440.469	5.451	50	40	IKGB	
O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	9259293	JAWCOHITBCCKKW-AFUMVMLFSA-N	436.920	5.767	50	40	IKGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)c1	9693570	PPTRFGPATXDJIO-OAHLLOKOSA-N	430.360	5.521	50	40	IKGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3cc(-c4ccccn4)nc4ccccc34)ccc2c1	12498795	CIDCFMWFQDIMBV-FDAWAROLSA-N	446.510	5.613	50	40	IKGB	
N#C/C(=C(\Nc1ccc(F)cc1)SCc1ccccc1F)c1nc2ccccc2s1	12618281	XQOSFMARGYSNTK-PYCFMQQDSA-N	435.524	6.812	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1	33567653	UJUVLNFJAHJWGP-PTNGSMBKSA-N	427.287	6.198	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1	57476887	MUDNVPMCHGZHMQ-YUMHPJSZSA-N	430.891	5.796	50	40	IKGB	
CC[C@H](C)n1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc21	96480068	QGUCROFGKPBOMA-WQKDKYNYSA-N	427.346	5.839	50	40	IKGB	
N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Br)cc2)cs1	96751821	FMODYQSZTREEIZ-FMIVXFBMSA-N	445.273	5.596	50	40	IKGB	
CCCCC[C@H](/C=C\[C@@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC	195773472	UOHYGYKCCYPZLJ-SMHFMPMWSA-N	428.686	5.498	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1	408580318	OHQRDJCHOHHMDT-ZXVVBBHZSA-N	425.531	7.945	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c1	408744378	KWHZCJRXJCOBDL-HMAPJEAMSA-N	427.504	5.125	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1	408899149	NOXIBLXLTXVQNK-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	408900207	UBKWPTPTTRNRCY-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(C(C)C)cc1	409249703	LBBFVGGDNUYEKL-ITYLOYPMSA-N	425.576	5.874	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	1915630	WZOZRSBFGIFJLR-FYJGNVAPSA-N	444.339	5.911	50	40	IKGB	
COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(C)sc3C)c21	6300260	ZLLXGXCSFMSRNI-HXUWFJFHSA-N	428.517	5.135	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1	8875138	RDQYODVVKYXHMO-DHRITJCHSA-N	449.850	5.337	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1	8916184	HASBBSRLKRIJRM-XSFVSMFZSA-N	438.955	5.674	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	33407525	SIMRZVZUYUGLRX-GZTJUZNOSA-N	443.341	5.491	50	40	IKGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)C(=O)NCc1ccc(Cl)cc1	33690311	HKTAHKQTPCSUBC-DHDCSXOGSA-N	445.737	5.364	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1Cl	40006665	XDJNVFJSNZPCAZ-FYJGNVAPSA-N	432.907	5.151	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	59334266	KYYUPTHXDYDDAI-NSIKDUERSA-N	439.726	5.230	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl	408534087	UTWAPHYEDDBGQS-BOPFTXTBSA-N	446.175	7.228	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	408591465	UCMSYPSQPGSRBZ-BRJLIKDPSA-N	434.754	5.747	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccs3)cc2-c2cccc3ccccc23)cc1	408726718	SXMCKOHPUKGTMA-WPWMEQJKSA-N	436.540	5.826	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1cccc(F)c1	408873459	UJDDGVDKHMBZHO-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1	408960775	IVFHWWNSFIJJDG-ZROIWOOFSA-N	441.270	5.806	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1Cl	408984851	TVALAMPTRBKGSF-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409048925	UPULHDYMRMYLJR-CIBMEXNLSA-N	441.369	5.305	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	409255794	ZQXNUFBQTFYYGX-PPDIBHTLSA-N	449.284	5.543	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2)c1	409257454	OYZJDCZOHITFFC-HYARGMPZSA-N	439.515	5.175	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1	941927	BPDJSOASYOOBCF-SDNWHVSQSA-N	438.237	5.163	50	40	IKGB	
COc1ccc(N2CC=C(c3ccccc3)O[P@]2(=O)N(CCCl)CCCl)cc1	1579925	BDFFCJIXLFYJOH-MUUNZHRXSA-N	441.295	5.461	50	40	IKGB	
CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)c2cccc4ccccc24)c1O)CCCC3	1821965	UXFWDVNXFMDICV-MUFRIFMGSA-N	440.543	6.232	50	40	IKGB	
C/C(=N/NC(=O)COc1ccc(Br)c2ccccc12)c1ccc(C(C)C)cc1	12362569	GTNJUEVRFVSRKH-XYGWBWBKSA-N	439.353	5.645	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	34855986	VAMFGWVSEHFXSU-MZJWZYIUSA-N	447.922	5.124	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(Cl)c3)o2)cc1	35224753	VCZRLZIDYUEUBE-DICXZTSXSA-N	447.922	5.683	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1	408777488	ANIHFBKIYIAVKW-JWGURIENSA-N	436.486	6.412	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c(C)c1	408787667	DJBQLXTYXZIJNA-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1	408817195	ZYAMTHVFZVHFSI-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cc2cc(C)cc(C)c2)c1	408873970	XXCOJZUKRBBONT-LPYMAVHISA-N	441.487	5.357	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)c(C)c2)c(OC)c1	408883358	QVNNJXSWWMLTFO-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	408985117	VLERABFKWRKYRQ-NTEUORMPSA-N	441.270	5.806	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1	1261071	LSHLEJRMJYGOHL-CPNJWEJPSA-N	446.528	5.455	50	40	IKGB	
CSc1cccc(Nc2c(CCCl)c(C)nc3ccc(Oc4ccccc4)cc23)c1	8763257	MPFFGIFWXDFLTE-UHFFFAOYSA-N	434.992	7.582	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	9322184	MFDGRMDIEHWBNA-CXUHLZMHSA-N	429.303	5.258	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1	15012341	BQKPTPKWOWDQFQ-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	33851706	PUQODRCBJRDABI-PDGQHHTCSA-N	433.851	5.373	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1Cl	40006605	JSRUEUGNBBEZJJ-XSFVSMFZSA-N	438.955	5.674	50	40	IKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-]	44827449	ISKMDMSKYYFVIU-OVCLIPMQSA-N	425.853	5.361	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1O	59473081	ZKOVCVWVHKPIBD-AFUMVMLFSA-N	440.952	5.501	50	40	IKGB	
ClC1[C@H]2c3ccccc3[C@H]1[C@H]1[C@H]2[C@@]2(c3ccccc3)O[C@]1(c1ccccc1)c1ccccc12	104105401	XKDFSVHBYBKOEL-FOPTWHMASA-N	446.977	6.952	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1	223171086	AFJXAYQQRDWUGU-YVLHZVERSA-N	440.330	5.955	50	40	IKGB	
FC(F)(F)COc1c(Br)cc(CBr)cc1Br	236143497	IKARKXRWEHUVOU-UHFFFAOYSA-N	426.852	5.048	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC	408579831	KFRRSWRFLBFCFZ-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)c1	408779189	RZZGWBRSRPYPJM-UCQKPKSFSA-N	427.548	6.044	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc(Cl)cc2)c1	408802550	YSENQOIFENBQEF-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1	408805555	GPTZEOOAUIYGHG-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	408879078	FEYYTVRAEYETSN-CPNJWEJPSA-N	446.890	5.422	50	40	IKGB	
Cn1cc(/C=C(C#N)/C(O)=N/c2ncc(Cc3ccc(Cl)cc3)s2)c2ccccc21	958959	FXNNDIAXNWJHFT-LFIBNONCSA-N	432.936	6.074	50	40	IKGB	
O=C1c2ccccc2OC[C@@]1(Br)[C@H](Br)c1ccc(Cl)cc1	2564990	PRYGAJKLOMAOTI-GDBMZVCRSA-N	430.523	5.185	50	40	IKGB	
C=CCOc1ccc2cccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2c1	8773052	UHPIGIZQHPYLPU-ZVHZXABRSA-N	431.473	5.291	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1	9905628	GORFLXPEVBMZCW-RVDMUPIBSA-N	436.851	5.243	50	40	IKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	28216282	XITQJMBFLBFRFU-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1F	33546267	XVKITVFOXHJICK-PTNGSMBKSA-N	428.341	6.609	50	40	IKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2c1	408774238	CGJQVOAAYYCRAO-AQTBWJFISA-N	434.923	6.145	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408800780	QWBVENUQERNLQN-FYJGNVAPSA-N	427.891	5.645	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)ccc1Cl	408829135	OGXPROYTFWVHKJ-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1	408858795	SNJXEOWHWXQQRF-OEAKJJBVSA-N	430.935	5.759	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F	408866798	JBSAUMHEASYAAH-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(C(=O)O)cc1	408895440	MUQKFAAKERHPQO-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409069707	XHDLZPRWPDHLTN-ZMOGYAJESA-N	431.344	5.674	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)cc1	409193918	HVIJLXNNBJIDLC-ZVHZXABRSA-N	428.941	5.072	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	2089739	LUGJSVCPGCHWQH-MTDXEUNCSA-N	439.515	5.463	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1Cl	2664195	USNZFCKBPGZNAH-UKTHLTGXSA-N	445.281	5.181	50	40	IKGB	aggregator
Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1ccc(Cl)cc1	2749212	IHQIIGJMUTURTE-FQEVSTJZSA-N	442.993	5.817	50	40	IKGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(OC(F)F)cc1	12657504	QNSBCMJFFGNBGI-JFLMPSFJSA-N	428.410	5.160	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)cc1OC	19690951	HVUNOBHHLNCNRZ-QHCPKHFHSA-N	432.545	5.066	50	40	IKGB	
Br[C@@H]1C=C(c2ccccc2)[C@@H]2C[C@H]1C(c1ccccc1)=C[C@H]2Br	95749437	GZMSWWLYOVNSKV-UWHLTILDSA-N	430.183	6.330	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc2ccccc12	408568001	RIVCKJMVWWMONP-MWLSYYOVSA-N	437.930	6.260	50	40	IKGB	
O=C(N/N=C/c1ccco1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408727985	YYMNFZMCXIRAHL-TURZUDJPSA-N	432.483	5.563	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408785356	YMKQKVOZFPTGDA-ODLFYWEKSA-N	429.347	5.732	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc(C)c1	408810663	PSSLMAAITXFMBD-HUXSYLCKSA-N	440.543	5.757	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1	408861977	HBDASLXUINUILK-XSFVSMFZSA-N	433.939	6.000	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cc(Cl)cc(Cl)c1	408921436	ADFWAGQODWQSPA-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1C	408933289	AIEBWJKTLCSBKN-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(C)C)c(Br)c3)oc12	408970181	CEVGZFQNEJGCHS-FOKLQQMPSA-N	445.313	5.003	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	409114348	GXDOEOUAJDNCIF-CMPFEXHJSA-N	438.980	5.858	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1F	409249542	UROCGHZLTIGNHI-QSSXUJFUSA-N	437.518	5.922	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc2ccccc12	409315440	VMYDFLXLFWECDF-STZFKDTASA-N	430.334	7.790	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	9448568	YZDDHMRVSBDWOD-BVZFJXPGSA-N	446.510	5.047	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc(Br)c3)n2)cc1OC	13766274	DUZXOJNRRNEGSL-NVNXTCNLSA-N	427.323	5.654	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2c(C)n(-c3ccccc3F)c3ccccc23)cc1	16249823	WBQGLISAKIUARW-HMMYKYKNSA-N	439.490	5.310	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(F)c1	59201283	DKEFXWQVZAVFKZ-CIAFOILYSA-N	430.479	5.576	50	40	IKGB	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C/c5c(O)ccc6ccccc56)(C4)C2)C3)cc1	100490020	CLJJGUDVUYJPBR-TXNCNMEDSA-N	438.571	5.842	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	108260899	BYBIEDJHSMBOJA-CCVNUDIWSA-N	438.405	5.891	50	40	IKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Cl)cc1Cl	408570250	TVDOSDUEROGNDM-UFFVCSGVSA-N	427.378	5.001	50	40	IKGB	
O=S(=O)(N[C@@H](c1ccccc1)[C@@H](Cl)c1ccccc1)c1ccc(Cl)cc1Cl	408731786	PUBOVASNAYAUKJ-PMACEKPBSA-N	440.779	5.993	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1	408759003	WILDPWOXURKFRH-UNOMPAQXSA-N	438.358	6.509	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccccc1Cl	408790697	QYMBHWJMWDXWKI-YBFXNURJSA-N	448.309	5.990	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408797467	RRFJQWZAPYAWSN-LDADJPATSA-N	434.536	5.319	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1C	408803292	NIAJIOJJYDAAHV-UDWIEESQSA-N	432.907	5.787	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1	408816436	YTTPVGQMQXUPED-DTMXKTEGSA-N	445.994	6.253	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1ccccc1Cl	408866668	HTEZWSRATLUYIJ-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)c([N+](=O)[O-])c1	408898801	XRBMXHDGJQZOJV-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(Cl)cc1Cl	409010257	BHRFYJPSCIQXAX-MXAYSNPKSA-N	431.319	5.465	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(O)c1	409390412	CXUNKVBQVMDVRS-MUFRIFMGSA-N	449.510	5.321	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	2744031	ZPAYDTKKLZKLBR-CPNJWEJPSA-N	441.918	5.897	50	40	IKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1	2769469	RFSUWBZXSGDSOY-WBILBPDKSA-N	442.475	5.680	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	3251139	UFYKOIMEROSHLB-TURZUDJPSA-N	437.547	5.149	50	40	IKGB	
CC(C)OC(=O)c1cc(-c2ccc(/C=C(/C#N)c3nc4ccccc4s3)o2)ccc1Cl	12469080	KQKRHRZWGMCZDZ-WJDWOHSUSA-N	448.931	6.839	50	40	IKGB	
COc1cccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1	12560597	FKUCDYMFZZWWJR-LQKURTRISA-N	429.907	5.718	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1	12564867	LMUSDELPFRNPKF-DWQBAWJJSA-N	433.766	6.355	50	40	IKGB	
N#CC1=C(N)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1	31820181	ZVVMYAPVVGYWHJ-JOCHJYFZSA-N	432.886	5.265	50	40	IKGB	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1I	33479680	BOQGVOYBQWGRJE-NTMALXAHSA-N	443.071	5.144	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	59297025	HIZCLKCIQOASNZ-LDADJPATSA-N	440.396	5.969	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	107742276	WRBZXWZOQYDLCV-AFUMVMLFSA-N	442.500	5.233	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C	408586024	ANPWZRHLUNPYTE-AFUMVMLFSA-N	438.369	5.166	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1	408773071	SJURLLQNZBGXCA-STZFKDTASA-N	446.934	6.252	50	40	IKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	408802440	FBPVKGHXCVLAEN-CJLVFECKSA-N	434.495	5.979	50	40	IKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1C(C)C	408858267	RFQGFZXTQUYHKQ-GZTJUZNOSA-N	427.342	5.825	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12	408882440	PYEUUGWXQNYDSB-XIEYBQDHSA-N	446.550	6.835	50	40	IKGB	
O=C(O)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1	408971972	MZMJQMCOLNDGQV-YXSASFKJSA-N	427.696	5.324	50	40	IKGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl	2630330	ILTOWKMIBXGQKR-FOKLQQMPSA-N	425.312	5.440	50	40	IKGB	
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc2ccccc2c1	3174468	KLNBOGLKYPQAKY-AFUMVMLFSA-N	433.305	5.285	50	40	IKGB	
O=C1c2ccccc2[C@@](c2ccccc2)(N(CCCl)CCCl)N1c1ccccc1	4726486	SNULECMUIYDNLR-DEOSSOPVSA-N	425.359	5.328	50	40	IKGB	
N#C/C(=C\c1ccccc1I)C(=O)Nc1cc(Cl)ccc1Cl	12565302	PHQNSILKRKPDEZ-YRNVUSSQSA-N	443.071	5.144	50	40	IKGB	
C[C@H]1C/C(=N\NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)CC(C)(C)C1	12601212	KXGQMZBIGDEZTM-ODXZCNLHSA-N	440.587	6.865	50	40	IKGB	
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	13324314	OMMBRKKVVBNUJJ-HFXBMHRVSA-N	431.923	5.236	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)o1	14608544	VXYKALVUAPZXEM-RVDMUPIBSA-N	435.486	6.130	50	40	IKGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(C(C)(C)C)cc1	20248787	GZNDDLFWGJULRW-HZHRSRAPSA-N	433.415	5.520	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC	28942362	KISYFYQMUPZDRO-AWNIVKPZSA-N	447.343	6.207	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1	33347185	HXYZPFAKCAKOHN-WQRHYEAKSA-N	425.271	6.545	50	40	IKGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)c1ccccc1	58917349	JZIBDMUZYQKRMF-LHXREVONSA-N	430.335	5.239	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)CC(C)(C)N2C(C)C	223590257	WDISZFMIYIZSBE-WMMPRDMWSA-N	446.422	6.566	50	40	IKGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1OC	408587804	UQRONDVVSMQNRB-ACAGNQJTSA-N	426.683	5.271	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408599501	HZUBUFFXRGIURX-MZJWZYIUSA-N	442.390	6.462	50	40	IKGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)c1	408708297	OXUOSBNLAPBAPG-MZJWZYIUSA-N	448.954	5.406	50	40	IKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(OCc2ccccc2)ccc2ccccc12	408787260	VZWKKFWLZHRPQJ-ULJHMMPZSA-N	432.523	6.581	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccccc1	408788968	GUGRRLKGAIACGQ-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1	408794843	KFWRZCLKZKZRCM-RGVLZGJSSA-N	434.898	6.221	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C)cc1	408809706	HPSGDAYJHAJBPA-KQWNVCNZSA-N	426.491	5.987	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(C)c(C)c2)c1	408813800	VDCXGYNAKAXBRI-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408852341	JTFKWANZYMBKNK-KEBDBYFISA-N	442.773	7.907	50	40	IKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1	408853808	SKLKBOAQMFESIF-USHMODERSA-N	440.547	5.656	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cc(C)cc(C)c2)cc1	408896946	PCWJHSWEIWMKHM-XQNSMLJCSA-N	426.516	5.827	50	40	IKGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409049774	YNZCQSYBYKNUGS-NTUHNPAUSA-N	439.220	5.570	50	40	IKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)sc(C)c1C	409195410	INNASEZVANVQRC-XDHOZWIPSA-N	433.533	5.105	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1cccc(Cl)c1	409249220	GVIJNUAHEFYGQB-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2F)sc2c1CCCC2	2334540	PFWQFGQKVFARED-DTQAZKPQSA-N	426.513	5.269	50	40	IKGB	
N#CC(C#N)=C1C=C2C=C(N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC[C@@H]2CC1	22036151	IJBIIFWMFNAWQC-QHCPKHFHSA-N	446.598	5.751	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1CC=C	59335696	RMTQJWATOALQHT-UYRXBGFRSA-N	435.321	5.044	50	40	IKGB	
CC1(C)[C@@H](c2ccccc2)[C@@H]2C(Br)=C(c3ccccc3)[C@H]1[C@H]2Br	71785445	JWRUYWPCMHKSQC-LXZJYRNTSA-N	432.199	6.626	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C3=C(O)CCCC3=N2)cc1	104092672	QFZGPWMZMFASKJ-QHCPKHFHSA-N	447.535	5.775	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1	223549511	PZYIYOZWYWTORV-BJLUOBIUSA-N	431.580	6.132	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccc2ccccc2c1	408759652	ITGMXJNTARENMN-PXLXIMEGSA-N	444.494	5.841	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(Br)c1	408880521	IDGAYFKEARCNDB-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCCc1ccccc1	409220680	DEXQEMNBODDKHJ-XDJHFCHBSA-N	435.321	5.365	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4c(c3)OCO4)c2C)cc1Br	409359292	BGQKDUHALSONLI-OCKHKDLRSA-N	435.321	5.958	50	40	IKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(COc2cc(Cl)ccc2Cl)cc1	2100651	ABPVSXYSPZKPOF-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(C)s1	8454666	WUDSOWLIPQTAQQ-XAYXJRQQSA-N	427.573	6.433	50	40	IKGB	
CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	17113292	ZHQDBSOFEOJSGB-WOJGMQOQSA-N	447.516	5.328	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)NN=C1CCCCCCCCCCC1	20247432	CVVOTRJXZUEYQB-UHFFFAOYSA-N	434.649	7.267	50	40	IKGB	
N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cccc(Br)c2)cs1	96751822	OOLMBCKDXYRGLQ-FMIVXFBMSA-N	445.273	5.596	50	40	IKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Cl)c1OCC(=O)O	108990103	LKMNLWBATKLWRW-WUXMJOGZSA-N	432.910	5.078	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1F	408759105	XWKGYRRZYGGYMR-BOPFTXTBSA-N	438.300	5.541	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(O)cc1	408788884	GEIDPTAMKWXLAA-LDADJPATSA-N	449.304	5.279	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	408788905	MZHRTDLTPXFDCW-GXDHUFHOSA-N	441.270	5.586	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)cc1	408800538	NSMBYDPKOZQREG-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)c1	408809197	NKWDGROCSHOWJV-YZYPULCFSA-N	433.555	6.091	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)c(Br)c1)c1cc2ccccc2o1	408846353	IVHWXCBGKPKCSF-QFEZKATASA-N	449.304	5.538	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)c1C	408854399	DWUXNHQEJSQXCX-OEAKJJBVSA-N	444.962	6.698	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Cc2ccccc2Cl)c1	408867392	KQZKXIOCNQMBBW-YBFXNURJSA-N	437.326	6.138	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1	408889742	GQQPZKOUXLWKHL-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
Cc1oc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1Br	409148395	YWCWTBNLFIGFSG-KPSZGOFPSA-N	436.158	5.041	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1	409260731	VLRZHVGSAMBNDY-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1	1789901	NTMSDZMFTXLBSK-HSZRJFAPSA-N	426.541	5.538	50	40	IKGB	
CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)cc1	9375249	KZTOISWJNZHECA-OGLMXYFKSA-N	438.531	5.543	50	40	IKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1	9724093	CQWXGPXPPYINEA-XMHGGMMESA-N	432.273	5.458	50	40	IKGB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	10039673	PILPGWLSQHQITD-VEDIRDOVSA-N	448.394	5.196	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	39884668	KTMFEGVPGRAVGH-SDNWHVSQSA-N	427.287	6.198	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC	59335676	PPJOTUKBICJNPD-PDGQHHTCSA-N	425.326	5.430	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc2c(c1)OCCO2	59473153	JQLJZZKCHORVRK-NLRVBDNBSA-N	432.545	5.045	50	40	IKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1	100142919	PSXYBJFRINPHBZ-PTNGSMBKSA-N	430.445	5.110	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3cccc(Br)c3)cc21	208245334	UXZGGFIAHJNWDS-RHUPODBASA-N	429.789	6.889	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2[C@H](C)CC1(C)C	208320394	PCKWVNFPFIVEJU-NKZWWHGNSA-N	437.971	6.271	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21	208457215	QCGJWVFQKCRDEZ-ZRGSRPPYSA-N	446.378	5.463	50	40	IKGB	
CCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(CC)cc3)o2)cc1	252511309	ZXSLWOZOTVGUBM-LTGZKZEYSA-N	428.488	5.621	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1	408758061	GFTHLFXIMFZXAN-LTGZKZEYSA-N	448.526	5.388	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408805890	MBVXYMXWMKBLBL-OQLLNIDSSA-N	433.733	5.745	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408810662	MNHJEIGINCNPAM-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
CSc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408850381	MOFYGYPWOAWOAA-IMRQLAEWSA-N	425.557	5.939	50	40	IKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc2ccccc2c1	408889276	BZDNXORZFQUWND-NDZAJKAJSA-N	444.490	5.976	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1Cl	409002937	XJUPNBOXINUJNZ-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1	409314352	SJWWRQDIFBLXBW-AWEZNQCLSA-N	446.359	5.012	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Cl)cc1Cl	409393915	TTZIERNKOUUPEC-NVMNQCDNSA-N	428.290	6.784	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)o1	8437760	RETOYRMTDRPVBW-VYYCAZPPSA-N	428.875	6.572	50	40	IKGB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	8740626	OYZQACRBKAXTBY-SILNSSARSA-N	447.567	6.592	50	40	IKGB	
Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1	9008747	ABSAKSOINPGFJA-MUFRIFMGSA-N	449.514	5.209	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1	9204139	QFUJVKOSDKBUSX-MFKUBSTISA-N	437.337	5.029	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	10315755	YCOPOIAVKHWRPF-MTDXEUNCSA-N	425.532	5.090	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	15227127	WFVAOLGNSPUJEF-ZMFRSBBQSA-N	436.968	5.323	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(C)C	17307203	BKXUNZCYPRSALE-WOJGMQOQSA-N	435.505	5.968	50	40	IKGB	
CCCCCCCCCNC(=N)CSSCC(=N)NCCCCCCCCC	104157505	FFJSJWSTUKXXSC-UHFFFAOYSA-N	430.772	7.003	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c1	107961869	BHZAWPOBYOMVKU-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118924138	VOFZBWVFCCOKSK-CASASHAKSA-N	441.704	7.052	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC	209646226	BUANWAIEAFPWMW-YVLHZVERSA-N	441.325	5.185	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1OCc1cccc(C(=O)O)c1	408568889	LJSDNJWYFVQSBI-WQRHYEAKSA-N	443.434	5.052	50	40	IKGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)c2)cc1	408881011	LSLPCDFFVPFWSL-DEDYPNTBSA-N	430.891	5.722	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408882438	OBTNQJSZQVPEIC-WOJGMQOQSA-N	441.745	6.783	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc(Cl)c1	408933899	CAEPJUNWIYNVDA-WQRHYEAKSA-N	433.851	5.373	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cccc2cccnc12	409016076	SEPUHAQPFHGKTJ-OGLMXYFKSA-N	427.504	5.096	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	409265417	IEHLUJZYIYQNKU-WPWMEQJKSA-N	439.471	5.020	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nc2ccccc2[nH]1	8686315	DTCXFVNEUDHVEB-XMHGGMMESA-N	427.467	6.226	50	40	IKGB	
CC(=O)N(c1nc(/C=C(\C#N)c2nc3ccccc3s2)cs1)c1cccc(C)c1C	12972978	JZJWRGKBYZPEKU-GZTJUZNOSA-N	430.558	6.118	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl	33770140	OKQYIBSIMPBPIX-MYYYXRDXSA-N	439.942	7.535	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CSCc2ccccc2)cc1	59473008	JHBCPVRKFAEBRT-DHRITJCHSA-N	429.372	6.191	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C2CCCCC2)cc1	96399179	PQRISSAAVFTDOS-RGXNXFOYSA-N	448.570	6.499	50	40	IKGB	
C/C(=N\NC(=O)c1ccncc1)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	118918573	HIMZXVKKQBAUQS-SHJUZIKBSA-N	435.612	5.127	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)cc1Cl	408579743	JXQNAUOTAZPIKC-LZYBPNLTSA-N	432.709	7.429	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408692181	GPARPVVXCMGHGK-KBKYJPHKSA-N	449.769	5.617	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)cc1	408708750	SHMOMKSNXNBJLK-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408867331	IGXWTOKNYMATIX-ZVHZXABRSA-N	428.963	6.710	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	408897220	QUUPQSIEOZRAKK-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	408909798	FAZHPZDRQRNMTO-STBIYBPSSA-N	438.527	5.565	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1	409226725	RZDLDDPLAZVVGB-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)c1C	9210116	BLYTURIVLZZIFN-NBVRZTHBSA-N	433.471	5.044	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1I	9323433	AAZYIDWMUUFNGH-KPKJPENVSA-N	444.099	6.061	50	40	IKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)[C@@H](C)Cl)[C@H]3c2ccc(OC)cc2)cc1	12504713	GYNVNGXUPLDWFT-IGPNUDHQSA-N	438.955	5.454	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1	19877499	GZCLRIPZOHBYEQ-UKTHLTGXSA-N	427.243	5.497	50	40	IKGB	
O=C(N/N=C\c1ccc(Cl)cc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	33352033	MODLUSZQMWHWRZ-MXAYSNPKSA-N	433.722	5.033	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(F)cc1	33453046	CGZHUQWPDQMHLN-MOSHPQCFSA-N	427.479	6.052	50	40	IKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	39884471	YTVJEXHZBFWTBZ-FOWTUZBSSA-N	425.315	6.922	50	40	IKGB	
N#CCC(=O)NNCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	59427529	AZJQJQJPOJOOIV-UHFFFAOYSA-N	440.934	5.499	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	107813172	DIUNZZFJWAKDEN-SSDVNMTOSA-N	425.853	5.487	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	209387738	GAVLUWUSWJHBRS-KAMYIIQDSA-N	427.287	6.198	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl	408549207	QTXDMYLIJSTEPJ-OYKKKHCWSA-N	425.915	7.145	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc(C)cc2)c1	408805676	BQMCHWCHDOZLPZ-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1	408963751	OZPZLRIBCIUGBY-CCVNUDIWSA-N	442.437	5.365	50	40	IKGB	
O=C(NN=C1CCCCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973427	MUDFUOMWUSEJDY-AREMUKBSSA-N	449.620	5.333	50	40	IKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NC2CCCC2)cc1	409192078	UMVDULRSBHBUOM-UNOMPAQXSA-N	439.353	5.302	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1	409383523	ZKOHIYHATWCAJF-ODLFYWEKSA-N	440.330	5.668	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)cc1	1319980	ABXPIHFYIMTNHF-STPJHCLOSA-N	436.533	5.010	50	40	IKGB	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	8590266	SJNTYPJPZZBXOD-XDJHFCHBSA-N	447.498	5.298	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	9668268	XROXPAHFCNHFNK-HMMYKYKNSA-N	433.548	6.124	50	40	IKGB	
COc1cccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC(C)C	12883688	QCDUATQQPPNCAS-OQLLNIDSSA-N	426.321	5.128	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc([N+](=O)[O-])cc1	16157510	RGMXDRQYTQPUNT-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1	59336411	HCLYIUCFJAHLMS-WJDWOHSUSA-N	425.271	6.002	50	40	IKGB	
CC(C)(C)[Si](C)(C)OCc1ccccc1N1C(=O)[C@H](N=[N+]=[N-])[C@@H]1/C=C/c1ccccc1	195813186	SNBKFPZJRSQSET-BJPOSOMNSA-N	434.616	6.316	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc21	223480199	ZGSDFWDBYPLAAP-WGARJPEWSA-N	425.960	5.279	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408538497	NWMWBNHNNOKRQF-XDJHFCHBSA-N	426.944	6.331	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1	408797335	QXEBJNDQFXFFDP-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C	408797622	GTNRRPKOMRRGSH-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc(C)c1	408810666	PSSLMAAITXFMBD-NSRYLYFRSA-N	440.543	5.757	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1ccccc1Cl	408871527	YQTUGYHFEDGHJW-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)cc3C)c2C)c1	408967264	PQIPGKKEMFRGIV-YSMPRRRNSA-N	432.524	5.043	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1nc2ccccc2o1	409060301	ZICQEOSOHHWIPG-CXUHLZMHSA-N	439.273	6.917	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	858296	WQCQFQZNIZKTOC-GXDHUFHOSA-N	427.338	5.419	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3Br)n2)cc1	1296983	HTEGPOMFRZKBHS-RVDMUPIBSA-N	426.339	5.866	50	40	IKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C(/CCC(=O)O)c2ccccc2)cc1	11582534	VRCBFIOXFGNPDE-QYQHSDTDSA-N	438.568	5.165	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(C(=O)O)cc1	13343292	DGTHNLCGEMFAEY-NTEUORMPSA-N	427.243	5.497	50	40	IKGB	
Nc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	14408865	ZOGAIWBNYQXVID-KKMKTNMSSA-N	437.330	5.343	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(F)cc1	59137150	SZYKQVPONLCKFW-BOPFTXTBSA-N	438.300	5.541	50	40	IKGB	
O=C(O)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(C(=O)O)(C5)C1)C4)(C3)C2	195528729	LPFOQEZPYZNVNW-XPLXQEMGSA-N	440.904	5.351	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC	408544985	WPUMBALENXTMLR-YVLHZVERSA-N	428.282	5.175	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C	408566225	FIPMYARYZTXNIJ-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC	408581204	HNSMATGYMSJKTR-CXUHLZMHSA-N	430.298	5.104	50	40	IKGB	
CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	408759219	ZXMURUFKLUICHW-GZTJUZNOSA-N	435.277	5.073	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(Cl)cc1	408787020	PRBWXFUUFZRLHT-BKUYFWCQSA-N	438.955	5.478	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cccc(C)c1	408788040	AENKDYWJDWAXEP-LFVJCYFKSA-N	440.543	6.081	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)o1	408868291	PJJGBOKTNBBRCY-OPEKNORGSA-N	426.303	5.662	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cc(Cl)cc(Cl)c1	408924226	MCNNGABPGBVPCY-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)c(C)c1	408941364	WJPUMLUKAZDBJT-XYGWBWBKSA-N	432.523	6.581	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1	408967991	WFYVUQNKYOESKH-MOSHPQCFSA-N	426.907	5.841	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c3ccccc32)c1	409203523	YOYGJZFMXXSOBZ-MZJWZYIUSA-N	447.991	5.894	50	40	IKGB	
CC(C)(C)[Si](C)(C)Oc1cc(C#C[Si](C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1	2362804363	PZABIFJQGLUDLL-UHFFFAOYSA-N	434.845	7.684	50	40	IKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)cc1	707161	KGFNSKNEGZQLKB-JOCHJYFZSA-N	435.980	5.675	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1	4705384	FYLHFNNLRYERBG-KQWNVCNZSA-N	427.548	6.162	50	40	IKGB	
CC(C)N1CCC(=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1	19636989	GPSXVGKOQASGIK-UHFFFAOYSA-N	442.607	5.789	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	20197574	LCUMBSUWKZUJID-OGLMXYFKSA-N	425.532	5.551	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC	31904638	KISYFYQMUPZDRO-MLPAPPSSSA-N	447.343	6.207	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1F	59116931	KUSVEAFDLIZVAN-PDGQHHTCSA-N	436.870	5.612	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	59116994	UTPRYMWPXABNEG-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC	408537050	BZYJUDHSKWOXPN-DEDYPNTBSA-N	426.944	5.531	50	40	IKGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)cc1	408707164	HKECDTCYBGHTIH-JFLMPSFJSA-N	448.954	5.352	50	40	IKGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408872406	MSEDHQMHLHALOZ-WRGIWNTCSA-N	431.561	5.101	50	40	IKGB	
Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Br)cc1	408914720	YQQOJYZCWBCZEW-PTNGSMBKSA-N	439.334	6.047	50	40	IKGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c2ccccc2n1Cc1ccccc1Cl	409364586	OBFUCGMDHUNXTP-LFYKFMMUSA-N	433.983	5.928	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1Cl	636743	JEJOFLLEIGRTCH-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCCCCCN(CCCCCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1	8445338	ZHPUETJSSPPDAN-UHFFFAOYSA-N	427.569	5.990	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1nc2ccccc2s1	13551655	HSBZSUDPHZYKFE-SDNWHVSQSA-N	439.418	6.121	50	40	IKGB	
N#CC1=CN2[C@@H](C=C1)[C@H](C(=C(C#N)C#N)C1CC1)[C@H](c1ccccc1)[C@H]2C(=O)c1ccccc1	100709840	KPMYTGOXYTXWGB-WOHWVRMTSA-N	442.522	5.053	50	40	IKGB	
O=C(Cl)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	226364423	MUVDAEPSLGBGJF-UHFFFAOYSA-N	438.930	5.823	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1	260565025	GMSSVIYIYOGDBL-SPMKTWQFSA-N	429.608	6.604	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Cl)cc1	408570490	VWKURNNUFPUPIL-WQRHYEAKSA-N	447.897	6.397	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)nn2-c2ccccc2)cc1	408724532	LMRQNEIYLYIHGO-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	408761933	HYQQINDIFIYIFK-LCYFTJDESA-N	442.258	6.016	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccccc1Cl	408789837	MGUCJBRNOWILOZ-CPNJWEJPSA-N	432.863	5.163	50	40	IKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408790715	XWVVVYSXIWBTEA-KPKJPENVSA-N	440.124	5.700	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	408798780	XFJSFAOPUWLRJR-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C)c(C)c1	408813539	OGHVMFOFQXAULL-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408883445	STXBOCUJBIZTFQ-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2cc(C)cc(C)c2)c1	408892518	CCSQZWAVUMOJQQ-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	409111318	HUIVUOUKCGMNSA-ZMOGYAJESA-N	433.360	6.194	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	16440441	RQZSOBRAEYZLJG-YRNVUSSQSA-N	426.097	5.310	50	40	IKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	23411043	XSYKPASORKARJF-ZMFRSBBQSA-N	445.346	6.080	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)cc1	35151495	FLKIVBJYHFRFNJ-OGLMXYFKSA-N	441.531	5.419	50	40	IKGB	
N#C/C(=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1nc2ccccc2s1	35213605	IEWPVMWLRPXTKF-OQKWZONESA-N	427.916	5.931	50	40	IKGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	59473214	STJQYUZEZBIIIP-ZXVVBBHZSA-N	431.561	5.021	50	40	IKGB	
COc1ccc2ccccc2c1/C=C(/C#N)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3	96398857	HBPRBPOHUDWWRM-QXPQOBGOSA-N	427.529	5.748	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1F	108116704	SEWMHXSDHVNCIN-FMCGGJTJSA-N	443.905	7.284	50	40	IKGB	
COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C	195424273	UMDKFDJQYNOPRV-ZHACJKMWSA-N	430.617	6.275	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccccc1Cl	216042140	JDZINOCAERBUMI-DICXZTSXSA-N	436.939	5.237	50	40	IKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	408600946	HNLUQSDEZDVFPC-OYKKKHCWSA-N	425.872	5.615	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)cc1	408745001	IXUSNJYSNGCKEJ-ZHZULCJRSA-N	425.919	6.197	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	408788183	BRSBFGATRHDIDC-NTCAYCPXSA-N	438.892	5.416	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)c1	408797385	RLJQYFFZSVMAIG-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(F)c1	408805075	DDSDQEHAHVENBI-XDHOZWIPSA-N	434.442	5.488	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1	408851108	IJDGCJUQEILETG-QINSGFPZSA-N	439.334	6.047	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408853043	YEKGMMCWYWVETJ-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1	408880497	IAZJWRYHFHHFCT-CPNJWEJPSA-N	446.890	5.422	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1Br	408906353	IOZJBAHDJVHDMH-FMCGGJTJSA-N	441.329	5.026	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cccc(Cl)c1Cl	408966262	KXYMFYOCDILHQV-KBKYJPHKSA-N	429.282	5.176	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1[N+](=O)[O-]	409185274	VJTMMIFKFNLWDK-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1Cl	409234271	JTKZGUUHRWKEQF-MBTHVWNTSA-N	433.914	5.483	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c1	409270857	IICMVHGCXGLVCP-HYARGMPZSA-N	439.515	5.175	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1	409333258	JHYQWTYBAUCFON-SRZZPIQSSA-N	448.114	5.236	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1	2829895	SUWPQOAAICBEHB-NTCAYCPXSA-N	437.293	5.572	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)c1	6194035	FHNKTKSSJPOQPP-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1	12406526	SCJMSXQGVFDBDK-CVKSISIWSA-N	446.348	5.774	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Br)cc1	35405479	UPUFTKDLMGCVDU-PDGQHHTCSA-N	438.296	6.240	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O	100500832	HVBHGSAKJPNTEH-VWNXMTODSA-O	447.124	7.179	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)c1	408784881	WDHIKFFIGCZPRX-QJOMJCCJSA-N	433.511	6.007	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Cl)cc1	408794614	JAKHEKMDHUMDLJ-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1	408898438	LHFQETSOOZZNKZ-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc(C(F)(F)F)c1	408964923	TZXMFFAOFGNYSU-OKCVXOCRSA-N	448.444	6.202	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)c1C	409003241	YRZJWNVGYLCGAB-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1	409194970	RLIAPSAJVKEMDN-YVLHZVERSA-N	445.346	5.547	50	40	IKGB	
CCOc1ccc(N[C@@H](CC)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	2100236	FPAQNMURZGMFLD-JZZXMACJSA-N	431.536	5.005	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(c1ccccc1)c1ccccc1	3144806	LERDXSSBXGMVIB-YZSQISJMSA-N	425.444	5.137	50	40	IKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)cc1Cl	9355346	PDGMRXXKYRLAAG-SSDVNMTOSA-N	433.689	5.135	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1	20190269	AMOBHYPWVZWRHF-NRFANRHFSA-N	449.016	5.539	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1	34718954	FSDSSUCBBYRSQO-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	100633223	SCGHXNNURRYBTD-QFIPXVFZSA-N	447.516	5.123	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OC	408598519	CEWYXAVDHWPIJK-MLPAPPSSSA-N	425.653	5.026	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1Cl	408718764	GVUSSPUOTBPZJN-WYMPLXKRSA-N	433.291	5.328	50	40	IKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1	408889459	HEJRSBFOFQRUCU-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	28216490	UAEQXXSEFSLEOO-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc2ncccc12	102900468	RFDDNINWPNXLOG-OWBHPGMISA-N	434.282	6.347	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3C)c3ccccc23)cc1	408711774	JWLFZRWRALAQCZ-RDRPBHBLSA-N	439.559	5.398	50	40	IKGB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C#N)c2-c2ccccc2)cc1	408730414	GEXIWKWKPLSNQV-UHFFFAOYSA-N	429.479	6.028	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc(C)c1	408746465	ZJXPKTJACRAZBA-MTJSOVHGSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C)c1	408940212	UPJZOJSASDPRPZ-BKUYFWCQSA-N	427.460	5.336	50	40	IKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1	409391865	LXDCZQZVSHBFEA-RDRPBHBLSA-N	425.507	5.515	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(OCc2ccccc2F)c1	622878	VSCHYRLYGMZPGS-JOCHJYFZSA-N	438.462	5.013	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	1782597	TYOBTHNCFDOUQV-RJACIUSSSA-N	438.527	5.823	50	40	IKGB	
CCCCOc1cccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccccc2)c1	2186667	QGYBNEILTMXXFZ-FLANDWEYSA-N	439.515	5.540	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC	2670479	ODBWMIUKNOUIFA-LFIBNONCSA-N	433.335	6.117	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	9324112	MATVAWFONWVXTG-LDADJPATSA-N	436.870	5.569	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)c1	16157351	BHMLAGUYOCYXLK-JWGURIENSA-N	435.527	5.942	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	33319787	SZSMJMORXXWILU-CPNJWEJPSA-N	433.895	5.080	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(C)cc(C)cc1C	51023958	IRSAUWCDNGGHTK-HYARGMPZSA-N	437.543	6.530	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1	59224681	ARPATVMYLWWUPU-FYJGNVAPSA-N	446.934	6.036	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)c2)cc1	408579360	GDYQPFUJAVZXTE-GZTJUZNOSA-N	444.339	6.134	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(Cl)cc2)c1	408804473	AGPKDLRSCSYWOV-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccccc1	408820330	VPTPDHLIGWGLTD-JCMHNJIXSA-N	442.490	5.687	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1	409045566	ZFKFNPFMQKRVII-SFQUDFHCSA-N	428.879	5.298	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	1439539	YIPPADCDZJWLNM-XMHGGMMESA-N	446.890	5.251	50	40	IKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cc(Cl)ccc1Cl	2663533	FHLUKVYVYKKZBM-LGJNPRDNSA-N	436.302	5.005	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	20197413	CMXACCMMSSCROX-OEAKJJBVSA-N	427.298	5.262	50	40	IKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	252508139	XDVSXNRUXUBAGS-LFIBNONCSA-N	435.867	6.177	50	40	IKGB	
CC(=O)[C@H](Cl)[C@@](C#N)(c1nc2ccccc2s1)[C@H](C#N)c1nc2ccccc2s1	254486804	HDACPNLLLJNGAP-MPKWNAGQSA-N	436.949	5.171	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)c1	408586529	NNGCQNATVCFWNP-GRSHGNNSSA-N	425.315	6.252	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1	408745030	JEAJEZTXNJLDGU-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(F)cc1	408790918	UKWSAQNVARTKGZ-UYRXBGFRSA-N	434.442	5.488	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408866621	IJHDIEDVKZFHED-VCHYOVAHSA-N	425.290	6.269	50	40	IKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409044125	AYUKZLXVVLUCJU-WUXMJOGZSA-N	429.225	5.957	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409048931	UPULHDYMRMYLJR-VCGQDBBLSA-N	441.369	5.305	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1cccc(Br)c1	409064220	OLHQZQIQVULIJK-LDADJPATSA-N	426.358	5.213	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409271611	VJCKTXUYLCNLHU-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C	1062397	FYAFFQJFXZNEAW-DEDYPNTBSA-N	448.364	6.019	50	40	IKGB	
O=C(/C=C/c1ccccc1)NN(C(=O)/C=C/c1ccccc1)c1nc2ccccc2s1	2226648	VKDDZGHYHCAEBN-YTEMWHBBSA-N	425.513	5.087	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1	2326188	DOWCGCOEKVAINV-YMGIJWJESA-N	439.540	5.060	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)/C=C/c3ccccc3)c2)cc1	19634199	WDMQWMIIQZHJSQ-UTQBMDSWSA-N	441.531	5.281	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(C)cc3)c3ccccc23)cc1	20198115	RCZUCVXYCNOZBU-RDRPBHBLSA-N	439.559	5.859	50	40	IKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1c(F)cccc1Cl	38680195	JJMNOAOOCIXTLI-HXUWFJFHSA-N	438.817	5.056	50	40	IKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1	40476984	NGGKUUJIZVWKEB-PXLXIMEGSA-N	445.588	6.550	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	59535766	CALMEMGGUYGZHI-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)cc1	100239443	MCTCGGSPWMSDDI-IMVYMSNESA-N	427.548	5.842	50	40	IKGB	
Cc1cc2ccccc2n1CC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	199418259	ZEHWCIDKGYMTJC-UHFFFAOYSA-N	436.342	5.825	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1	408569885	QUOMJERRRSNGQJ-ZHZULCJRSA-N	427.527	6.020	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c1C	408797935	UKZKGMQASUNMOF-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)o2)c([N+](=O)[O-])c1	408807640	DORJNRGAIWHRDO-GXDHUFHOSA-N	437.839	5.371	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NCc1ccco1	408816949	MMPOAAYLODIHRH-XSFVSMFZSA-N	442.902	5.889	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1	408838609	YFAHPHYHWCUKBF-VULFUBBASA-N	426.303	5.400	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408869337	RBXKGYBMBXTDQJ-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccccc2F)c1	408884380	YVUDOXHXXZNJIU-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c(C)c1	408923785	JWZNSYRQOQWDIO-XSFVSMFZSA-N	430.891	5.722	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cccc(Cl)c1	408999317	UQNVVPCDSGEZSP-SRZZPIQSSA-N	435.730	5.611	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1	409201258	KWWBSTYGRMAJDM-ZROIWOOFSA-N	429.657	6.335	50	40	IKGB	
COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(F)cccc1Cl	409374186	YHXZHSATUWTVIF-HXUWFJFHSA-N	443.906	5.244	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	852257	RGBALHITHFEAFO-RGKQAONTSA-N	441.918	5.150	50	40	IKGB	
Cc1cc(Nc2ccc(C(=O)N/N=C/c3cc(Cl)ccc3O)cc2)c2cccc(C)c2n1	2374549	CEJKHCCHJMSDEE-MZJWZYIUSA-N	444.922	5.718	50	40	IKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	8814622	VRZGMIGIBVBAHE-XODNFHPESA-N	447.325	5.632	50	40	IKGB	
Cc1cc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc2cc1Cl	9059277	KBSJTHXGFPMBDF-OAQYLSRUSA-N	432.310	6.221	50	40	IKGB	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1	9668283	NAIBFONMPZUGDA-KGENOOAVSA-N	432.317	6.126	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	28216223	GAUIUYKNFSNVJH-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
CCCN(CCC)c1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1	30840555	JRZDPYIFYOFPGA-RRAHZORUSA-N	429.564	5.509	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(CC)cc32)cc1	100037920	OREMTSFHNHZYBW-UHFFFAOYSA-N	449.595	5.855	50	40	IKGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528777	BIFXWQYRIXDXBH-REOHCLBHSA-N	441.981	5.211	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118928358	QNEPTKZEXBPDLF-DTHNQABZSA-N	449.119	8.772	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1	408741371	ILCNKADZYYYVTL-HKWRFOASSA-N	425.919	6.197	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1	408742319	WAKCHDBCMUCPNJ-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc12	408790791	YTWODVLYTGIHQU-PTGBLXJZSA-N	448.522	6.363	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)cc1	408808229	FFUHGUXHVMJCDX-STZFKDTASA-N	432.907	5.151	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)c(N2CCCC2)o1	408849296	VYDHKUOOWLVYCR-JYRVWZFOSA-N	434.721	5.150	50	40	IKGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)c1C	408982610	IHVSZSRDIPSUJS-WJDWOHSUSA-N	434.879	5.549	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1nc2ccccc2o1	409047689	PURYZHJDUDNPLN-LZYBPNLTSA-N	439.273	6.917	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc(Br)cc1	409359273	BCCROGKBQWIMSH-STZFKDTASA-N	434.333	6.491	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1	2849396	OPAKYTYUGSVQHM-FYJGNVAPSA-N	433.891	6.080	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(F)cc1	16400097	CVMNLDXNYWCLQS-LCYFTJDESA-N	434.717	7.050	50	40	IKGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1	38682035	ZHPUXLHSAOQYRT-HSZRJFAPSA-N	428.513	5.154	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC	59201064	SXQPXBVDBLXSQL-GZTJUZNOSA-N	443.341	5.355	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2F)cc1	59921428	ZMGSGNRQLWXSJS-DHRITJCHSA-N	428.916	5.301	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(=O)O)c1	408544567	UUDPBOICMIYWFB-UKTHLTGXSA-N	427.243	5.497	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1	408582748	PVXBVSDHAXTRFR-CIAFOILYSA-N	449.934	6.399	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccc(N2CCCC2)cc1	408678424	YXYCYLUNIBAFJV-STBIYBPSSA-N	440.522	5.193	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccccc1	408793950	QYQBQNNMYWTBLC-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	408794157	IAJJFHYGRZMUKC-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)c(OC)cc1Cl	408836205	ZKYOLORANDBQCP-VGOFMYFVSA-N	435.307	5.343	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409064951	JNUCITOEOBSRJI-YBFXNURJSA-N	434.835	5.590	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1cccc(F)c1	409393058	OUDQCAOCFGWGEO-ZDLGFXPLSA-N	426.260	6.370	50	40	IKGB	
COc1ccc(N[C@H](c2ccc(OC)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	2163338	FJMVHEKYUHXPBR-MHZLTWQESA-N	443.483	5.829	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1	2186684	NRHHFFFETPGONQ-MFKUBSTISA-N	443.553	5.887	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1-n1cccc1	4083659	PQJZQYZPXBTFTE-RDRPBHBLSA-N	434.499	5.302	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccccc1C	4196619	OUDQNAVJEOVCSE-NLRVBDNBSA-N	433.508	5.007	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1	6142231	JAQDBDKRKGKFPJ-OQLLNIDSSA-N	444.343	5.595	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c1	8984203	VTGKKHJNBKTDMU-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC(C)=O	9075573	BFOBKVJHRWKQLG-NVMNQCDNSA-N	434.517	5.434	50	40	IKGB	
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(O)c(CCCl)c1	13005740	YNQXVRBHAVDCDH-PKNBQFBNSA-N	443.934	5.376	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccccc1Cl	13551595	WLLRKGHODXWZSJ-XDHOZWIPSA-N	429.907	6.177	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1	20530640	PAHAJTOCINJBQJ-XDJHFCHBSA-N	430.939	5.549	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1cccc2ccccc12	58871166	OHWYUOBKQURXPU-VUTHCHCSSA-N	438.527	5.510	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	59116835	CHSWNOGLRGSNEL-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	59281529	YAVJGUGAZLLNNQ-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	59474926	BSBVCXHUWPQOGZ-YVLHZVERSA-N	441.325	5.185	50	40	IKGB	
O=C(Cl)/C=C/c1ccc(OCc2cccc3ccccc23)c(I)c1	226334945	KVRBKBLJKUIPAQ-PKNBQFBNSA-N	448.687	5.802	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1cc(Cl)ccc1Cl	408586912	DAPAZWWCNAFZDY-SSDVNMTOSA-N	442.437	5.437	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1	408598990	NBFRCYHETDVWEK-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	408744901	NXRFESACUPBILN-DHDCSXOGSA-N	431.717	5.521	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1cccc(F)c1	409054157	SBJWKKMCWUTCNU-LGJNPRDNSA-N	426.875	5.139	50	40	IKGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3\C[C@H](C)CC(C)(C)C3)c2)c(C)c1	12564859	MCMLWGBUMVUTFP-OTMWDORNSA-N	441.597	5.036	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1C	12590796	DRBOHLGLVFPDOL-XQNSMLJCSA-N	446.506	6.222	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1C	59432626	ZNRBXVWWDVPMFG-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1C	408746400	YWTQIBXHWLTUED-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1	408886802	MGMRMITUJABCMT-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(-c2ccccc2)cc1	2645146	ABDMBWMQRIXRGR-UHFFFAOYSA-N	449.535	5.705	50	40	IKGB	
Cc1cc(C(=O)/C(C#N)=C/C=C2/N(C)c3ccccc3C2(C)C)c(C)n1-c1ccccc1F	3191791	HQRIQRJMFAWKTI-GDGRXUHXSA-N	439.534	6.177	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1	9721140	YZCZFUBPSPYCRX-LICLKQGHSA-N	449.894	5.000	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1nc2ccccc2[nH]1	34719015	PIVLFTHPOXIWRW-WJDWOHSUSA-N	446.869	5.437	50	40	IKGB	
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2	35327046	SDRYDUDGFSNJRC-IBGZPJMESA-N	434.927	5.158	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-]	408599354	SYGAZVDNGGYUGU-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408756837	USQUVVVNCCADON-RPPGKUMJSA-N	440.286	5.331	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1C	408798141	UZBMAQVHDNLEIS-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
Cc1c(Br)c(/C=N\NC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1	408848645	RNEOFSNGVZLSNH-FMCGGJTJSA-N	445.748	5.666	50	40	IKGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12	408894487	IGAHVTIVGYKHKE-NDZAJKAJSA-N	444.490	5.976	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCc1ccccc1	408967349	QAMSTWVRGARODD-MZJWZYIUSA-N	428.410	5.057	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1	409008490	XAYVOEZPSXIIMF-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccc(F)cc1	409069685	XAFORHCMEQNVEV-PXLXIMEGSA-N	442.490	5.687	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccc2ccccc12	409323132	NONKIFQZGIXNSN-ZXVVBBHZSA-N	434.542	8.060	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(I)cc1	409368094	RCDYBNZKFBUPJA-PTNGSMBKSA-N	442.212	5.524	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)c2C)cc1	409390980	GMICHTZSQORTHF-QNGOZBTKSA-N	439.563	5.889	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1	713572	ZTFBYIVRPSOSOH-NRFANRHFSA-N	439.437	5.019	50	40	IKGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1	1789644	FHTIBQKCPNUZPD-FOKLQQMPSA-N	429.998	5.829	50	40	IKGB	
CC[C@@H](C(=O)N/N=C(/C)c1ccc(NC(=O)/C=C/c2ccccc2)cc1)c1ccccc1	5954083	XDAYEKAJGCSMEV-UHLWWPJVSA-N	425.532	5.373	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)S(=O)(=O)c1ccccc1	6088296	PBJDOWIYJOWWJP-XDHOZWIPSA-N	430.407	5.231	50	40	IKGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(C(C)(C)C)cc1	8400390	PQUUVQMJZKFIKU-MTDXEUNCSA-N	428.601	6.328	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Br	9288113	BXXSVEXFYAYBAE-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(Cl)c1	9288156	RUHNGSSIMAAFNB-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)o2)ccc1Cl	13602604	KUJACQJMJVEZNT-LFIBNONCSA-N	431.879	6.026	50	40	IKGB	
O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cc2c(ccc3ccccc32)o1	15018686	ARZPLQNDFIWZFY-AUEPDCJTSA-N	443.684	5.471	50	40	IKGB	
Cc1ccccc1N(C(=O)CCCCl)[C@H](C#N)c1ccccc1OCc1ccccc1	26895971	BBNWZLLUWDAXFW-XMMPIXPASA-N	432.951	6.191	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc(Br)cc2)o1	83307889	UGVKTFMHINJTON-JJFYIABZSA-N	449.757	5.605	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	223175933	PGPUECXPZFVHNJ-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	408544101	RZAGAEPHHRMBRV-GDNBJRDFSA-N	445.862	5.180	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2[N+](=O)[O-])cc1	408544683	WQIRYEUOTZVABL-UNOMPAQXSA-N	440.528	6.612	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl	408579225	DWTCWQJMDPYOLO-CXUHLZMHSA-N	449.164	7.943	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(C(C)C)cc1	408675946	CSUQUYUIMVXWKA-MTDXEUNCSA-N	428.580	5.582	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(C(C)C)cc1	408782983	LPJJXOITSAGIFW-IWIPYMOSSA-N	441.575	6.550	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408800546	PNPFZXKNYLAULZ-MDWZMJQESA-N	447.705	6.461	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	408816487	UURFDATWCZTAAV-BUVRLJJBSA-N	435.527	6.110	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408867266	LGGJXJRZGXUFMC-ZVHZXABRSA-N	428.963	6.710	50	40	IKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccccc1Cl	408870262	VTEXOPCSHCHVKP-LTGZKZEYSA-N	440.905	6.769	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	409361656	HSGPRTXXBJUWFC-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	3088205	HJYCWCUIQMZHAS-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c1C	9355070	NWPXMNQHBBLGBN-STZFKDTASA-N	427.504	5.043	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	13899510	JKCXKKQMJDQELM-LDADJPATSA-N	429.882	6.028	50	40	IKGB	
CCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	20189683	UFBUQVPCRVJZAJ-JOCHJYFZSA-N	437.996	6.208	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1Br	20760253	XNOJCFAWXIPIMV-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)C3c4ccccc4Oc4ccccc43)o2)cc1Cl	71335800	HQENOQMHCPLTCU-RWPZCVJISA-N	442.902	6.296	50	40	IKGB	
C[C@](Br)(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104106162	KPBKIHUJGYSZEI-AREMUKBSSA-N	447.356	5.981	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2F)o1	252491662	LPVHQKXBPMMHPD-GXDHUFHOSA-N	425.257	5.702	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OC	408548862	MJFUOEXZVMCXRS-NVMNQCDNSA-N	441.268	5.526	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1OC	408581481	ILZJLKCMARAWCU-PXLXIMEGSA-N	439.486	6.639	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1ccccc1F	408865991	FBZXAKOLQVVUGM-UDWIEESQSA-N	448.925	6.323	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1F	408870438	DQIPROPREGZSQK-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)c1	409005153	CSTONYVRFTYNMA-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
O=C(N/N=C/c1cccc(O)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	409041687	JDWFQUIORGTCHD-DHRITJCHSA-N	448.935	5.677	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC1CCCC1	409189507	PWVCAIIAVGBOEV-BOPFTXTBSA-N	443.316	5.133	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1sc2ccccc2c1Cl	2293833	ZBESUEPGQSJYTA-SSDVNMTOSA-N	425.853	5.487	50	40	IKGB	
S=P1(c2ccccc2)Oc2ccc3ccccc3c2Cc2c(ccc3ccccc23)O1	2557617	WZIBFLOHARMCBE-UHFFFAOYSA-N	438.488	6.990	50	40	IKGB	
C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1cccc2ccccc12	9056942	ABGQBVGNOOHOAE-XODNFHPESA-N	447.844	5.647	50	40	IKGB	
O=C(N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)o1	9434746	HDASEGZGIWOVDS-SLEBQGDGSA-N	435.310	6.436	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccccc1Br	20760733	FRGSEIZCCJNINW-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1Cl	35131329	ZNKFZLLRYITRQO-YVLHZVERSA-N	431.319	5.110	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C	59105184	WOSDCNYCPFUPLK-LGJNPRDNSA-N	428.363	6.036	50	40	IKGB	
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	100860039	HCSGWPXZNNRYFP-JXAWBTAJSA-N	438.394	6.892	50	40	IKGB	
CCOC1=CC2=C(C=O)C[C@H]3[C@@H]4C[C@@H]5OC(C)(C)O[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	118936715	GAVOLJDFJHUYGO-FHLCOMCJSA-N	442.596	5.138	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	408538651	BAZUALIRLWJDMJ-ULJHMMPZSA-N	427.501	5.107	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(Cl)c1	408587737	UEOZSTPPRYEIBY-ZDLGFXPLSA-N	425.271	6.545	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)nn2-c2ccc(C)cc2)cc1	408725044	NTOVGAOYRIBXKW-JVWAILMASA-N	428.923	5.573	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)c1	408742690	BRUDHXPBMKOJMU-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1ccc(Cl)cc1	408745540	NOUFTTDZLUAGPV-KAMYIIQDSA-N	427.685	5.908	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cccc(Cl)c2)c1	408800297	LRPNCJYCCORWAA-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1	409220704	DQDVEXRAJKLDFX-OEAKJJBVSA-N	425.351	5.673	50	40	IKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	409233085	JXPKDRFRDCRNRU-UEIJICEPSA-N	426.358	5.080	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1C	409264716	PRLHAUUXIXTUFJ-KGENOOAVSA-N	427.460	5.293	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)c2cccc3ccccc23)cc1Cl	409320968	DPIAMSJZLHPXIR-LICLKQGHSA-N	426.299	6.153	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1C	2312133	NINUQBMGASWQHF-NRFANRHFSA-N	433.577	5.137	50	40	IKGB	
C[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	2752542	FFCKJZOBNYXEMU-WTJYETQFSA-N	438.325	5.192	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1	3286730	VRIFUZRCFNWZTM-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=[N+]([O-])c1cc2c(cc1[C@H](Cl)[C@H](Cl)c1ccccc1)[C@H](O)[C@H](c1ccccc1)N2	4235277	CJLRAVOKFQHUCE-MLNNCEHLSA-N	429.303	6.055	50	40	IKGB	biogenic
Cc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccco2)C3)cc1	9448562	YZDDHMRVSBDWOD-CJAUYULYSA-N	446.510	5.047	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(Br)c1O	12140019	FVGJFHDHCUSWLC-VIZOYTHASA-N	441.350	5.968	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	15012345	XCZCTYASXGREKV-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
N#CC(C#N)=C(Nc1cccc(C(F)(F)F)c1)SCc1ccc(Cl)cc1Cl	16399310	DEXPLRZJALWOAL-UHFFFAOYSA-N	428.266	6.616	50	40	IKGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ccccc12	17098997	VGSINDDXGLPMOS-UHFFFAOYSA-N	434.543	5.284	50	40	IKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	34880362	UWKIPWOVLMSHNY-WJDWOHSUSA-N	428.305	5.043	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	35088168	OMIBXDJRQJJJMH-RVDMUPIBSA-N	433.733	5.827	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1cccc2ccccc12	83293167	QOOLUEOHLYGOJS-MIXAMLLLSA-N	438.527	5.890	50	40	IKGB	
C=C(Nc1ccccc1N)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1	108917657	OZJGIIXKGNJCCK-DEDYPNTBSA-N	446.348	6.143	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	208250461	HYXVWLKAVKIUDT-JBBSTVMTSA-N	438.786	6.133	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	223480110	FJHSREAJIASDHB-WGARJPEWSA-N	425.960	5.279	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408580997	FVNYDJLZIYDRFZ-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	408768225	VEHCFDVTTZTBFH-UVTDQMKNSA-N	434.908	5.815	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2OC)cc1	408799189	YJBFOLYWASLKBX-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Sc2ccccc2)o1	408999064	WDJALSQTGXQCHV-ONUIUJJFSA-N	428.513	5.627	50	40	IKGB	
ClCCN(CCN(CCCl)c1cccc2ccccc12)c1cccc2ccccc12	1558004	QBIFSNSZKKKWHU-UHFFFAOYSA-N	437.414	6.784	50	40	IKGB	
CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3ccccc3n2)cc1	2109764	MIDDPLQKMIVBLD-RWPZCVJISA-N	437.499	5.518	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1OC	3167854	CQZDJNFVLRLBAM-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
CC(C)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	8969589	KYXKYYNPWKFAPA-JOCHJYFZSA-N	447.604	5.644	50	40	IKGB	
COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(Br)cc1Br	9263275	DOKVSYRZKJUVJA-UHFFFAOYSA-N	448.114	5.230	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(C(F)(F)F)c1	9263420	JQKAGLGVDQEPIB-BHGWPJFGSA-N	430.411	5.090	50	40	IKGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(N/N=C/c2c(F)cccc2Cl)cc1	12563875	ARPVEVKUMUTESO-LYXAAFRTSA-N	447.272	5.482	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3s2)c1C	33481877	OEKHQIJOFDFJJN-YBFXNURJSA-N	436.005	7.322	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccc2ccccc2c1	33807120	JYGDQTPPXYXZPQ-JLPGSUDCSA-N	429.479	6.815	50	40	IKGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	58871353	LAXFWJOUYXXASY-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)n1-c1ccccc1	408781640	DJSFGXYDQQJNID-QJOMJCCJSA-N	428.457	7.536	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408796321	XVKKUUAGEZWHCB-PTGBLXJZSA-N	448.522	6.363	50	40	IKGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc21	408856503	CFCOWUNTIQDFFS-GZTJUZNOSA-N	435.911	5.020	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	408885313	ZFEVNAQGNXMZLU-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccccc1F	408891623	UCMYWXRRNBICGK-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c1	408983319	AUOLEKMHBGDJIK-QGOAFFKASA-N	448.906	5.482	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc2ccccc2c1	408992785	BYDWOMRUBBIIEC-JFLMPSFJSA-N	431.923	5.430	50	40	IKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1	409069858	YBJXIZAQEZKHLU-DTQAZKPQSA-N	436.876	5.313	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082114	RCXCXWQGWLFRNP-GZTJUZNOSA-N	440.377	6.479	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)NC1CCCC1	409188048	FJJTTYWYGISRNQ-PTNGSMBKSA-N	445.397	5.372	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCc1ccc2c(c1)OCO2	409199526	OJGBOARNXKQNLY-RIYZIHGNSA-N	441.270	5.205	50	40	IKGB	
COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2ccc(C)cc2)c2ccc3ccccc3c2O1	9762873	VYPWHNLSCLYBIG-SANMLTNESA-N	446.506	5.846	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	10315709	ZYLPZGWCWRPLID-MTDXEUNCSA-N	425.532	5.339	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Br)c1O	16440508	LEIPEPXUNCAXPN-WTDSWWLTSA-N	442.096	5.016	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	19631420	QDLDEIXVIVATEQ-LDADJPATSA-N	440.396	5.969	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	20764328	XPPDJYXUYLUUMN-DHRITJCHSA-N	430.335	5.564	50	40	IKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nnc2n1CCCCC2	33871242	HRZCPPAKVLTRQW-ATJXCDBQSA-N	431.543	6.538	50	40	IKGB	
C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1cccc(NC(=O)c2ccccc2)c1	59473132	FBFLACRZLIAFFK-VFCFBJKWSA-N	445.588	5.329	50	40	IKGB	
Cc1ccc(-c2nc(/C(C#N)=C\c3cccc(O)c3)sc2NC(=O)c2ccco2)cc1	102623575	TZPGBKABBFKRPV-PDGQHHTCSA-N	427.485	5.734	50	40	IKGB	
CS/C(=N/N=C(\C)c1ccccn1)SS/C(=N\N=C(/C)c1ccccn1)SC	104234566	IPXCKVUYVWXLKW-OHWIYCTJSA-N	448.668	5.444	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccccc1F	108172682	JAOKTCHKWCPEKB-YVLHZVERSA-N	426.260	6.370	50	40	IKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1	207159235	SCVOOCNBNUOPBN-STZFKDTASA-N	446.934	6.090	50	40	IKGB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(SC#N)cc1C	408528020	DVBSASUQNQHNQB-YVLHZVERSA-N	441.354	5.358	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC	408583025	QZQQBGBLCDRTSD-UDWIEESQSA-N	435.907	6.009	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408747265	LIHHQHWPCHKWJR-ZROIWOOFSA-N	447.716	5.222	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1	408798768	XCZQTSBGUOFTGB-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccccc1F	408888724	ZQKRRXBZSIKKRF-HMMYKYKNSA-N	440.449	6.243	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409332053	FUHAXNAAOVLEKQ-INIZCTEOSA-N	435.401	5.987	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	409365480	QWBJNRGACMZPDG-DICXZTSXSA-N	441.358	5.828	50	40	IKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(Cl)cc2)c1Cl	3243964	CELIGAKKTGNHOL-SAPNQHFASA-N	433.383	5.871	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1	9057509	PDCNYMFCQMSKTQ-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1	13286040	BCZZDRZTVSVECE-NTFVMDSBSA-N	448.353	6.523	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)cc1	59250010	HRKQAIGUDZHMEC-PEZBUJJGSA-N	436.309	5.184	50	40	IKGB	
O=[N+]([O-])c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc12	102919405	NFXSGWLGIZMUJE-UHFFFAOYSA-N	448.482	6.242	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408568536	UXTMTYZJPIDRRE-OCSSWDANSA-N	435.502	5.675	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(Cl)c1	408599524	VRKUQGKLWVKCMN-LCYFTJDESA-N	429.657	6.335	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	408599783	ZSIPCWXUQZISFI-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1cccc(F)c1	408804689	GPDLAKREGHYQOS-KMYAOZERSA-N	437.518	5.922	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408812026	MNIDMQWEZGUUAE-LICLKQGHSA-N	439.298	5.824	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccccc1	408866326	HOHIEQYTLOZDQW-CPNJWEJPSA-N	435.296	5.725	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(C)c1	408875512	JLUULWKGTFBCJT-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1C	409002994	XTNZKPXIJDUZSR-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl	409148347	PISWZAINUNEOHD-OAQYLSRUSA-N	441.314	5.387	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2c1	409187593	SGBYENZKUGTTRD-ROTLSHHCSA-N	443.286	6.162	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl	409190393	YEIUIVBLQJVZLD-MZJWZYIUSA-N	436.342	6.069	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)cc1	409215522	AJXWOCPEHBWEQX-ZHZULCJRSA-N	427.891	6.624	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=S)N1	409369083	AXWBYIHIGWWIMC-LJQANCHMSA-N	446.403	5.915	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(C2CCCCC2)cc1	8916871	QKPSPPUCHGFKSQ-JJIBRWJFSA-N	441.550	6.827	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(Cl)c1	9264376	NOPZGCPAHDEPIO-FYJGNVAPSA-N	442.950	5.495	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1Cl	13774022	IDRZGTVGFFBRJH-GXDHUFHOSA-N	430.758	6.511	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1	13799860	KQQIVQXQRLGMOY-YVLHZVERSA-N	441.289	6.257	50	40	IKGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC	33777628	MEVKXSHOACQUDR-YBEGLDIGSA-N	436.309	5.109	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)c1	59201297	KONRBRSQZPBIGT-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(CSCc2ccccc2)cc1	59473472	VSWDQDBNYYYVTP-ZVHZXABRSA-N	439.378	5.646	50	40	IKGB	
O=C(CCCC[C@H]1CCSS1)NCC1(Cc2nnc3ccccn23)CCCCC1	96114485	SYAYBWVUXXUWTG-SFHVURJKSA-N	432.659	5.053	50	40	IKGB	biogenic
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3)n2)cc1	100239401	WTZOTIDGRPPANX-QINSGFPZSA-N	426.339	5.948	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408545418	YPKCXODCHBZWAK-AQTBWJFISA-N	439.471	5.089	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)ccc1OCc1ccccc1	408719571	GJLBWDHEQKOUGD-VKELSTCCSA-N	434.561	5.295	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C)cc1	408792505	ALGYRFULZREVET-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408811861	WLBFVPCWQOYGEF-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1	408877289	UGCVBJMLCQUMAQ-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1Cl	3034307	ZUGFTHLJNSUSQR-LQKURTRISA-N	444.918	6.105	50	40	IKGB	
Cc1cc(C)c(C(=O)c2ccc(C(=O)NN=C3c4ccccc4-c4ccccc43)cc2)c(C)c1	3092709	GXJBXQQXXVJVBW-UHFFFAOYSA-N	444.534	6.006	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1	12436629	QXBVSMUHKLUIHJ-OEAKJJBVSA-N	438.552	6.770	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc([N+](=O)[O-])cc1	12600759	KQUYQVYAPNXQJQ-ZXVVBBHZSA-N	445.519	5.760	50	40	IKGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1	20133351	QLWLDYATRSUSGW-SECBINFHSA-N	426.561	5.070	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	33459079	MKTPQTVXDBDEMZ-MUFRIFMGSA-N	439.559	5.945	50	40	IKGB	
CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	100839890	TWZTYRLPSKSEEC-KAMYIIQDSA-N	444.343	6.270	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1	107802316	KEFPEKZKFBXSNK-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1Cl	408745339	LWVPPVDLENDUFW-UVTDQMKNSA-N	441.270	5.586	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408793267	DQTDSQFXTSANGN-RIYZIHGNSA-N	441.270	5.806	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408889832	JQBQQWOYBVCKFM-RIYZIHGNSA-N	442.258	6.016	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc3ccccc23)c1	408941623	XKMWQVAOFSVWNE-UQQQWYQISA-N	432.523	6.527	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1	409254475	IQCXVYCJHRDWLI-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1OCC	409312215	KEVZUUWHGDEJFQ-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1436913	MAKKMINKUYGXNH-HSZRJFAPSA-N	446.982	5.347	50	40	IKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9057841	FBOQJOAVOBFPBW-FMIVXFBMSA-N	438.286	6.695	50	40	IKGB	
CC(C)CCOc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1	12658636	REHKIKXOYGPLQE-APVMCDBPSA-N	433.577	5.598	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1cc(Cl)cc(Cl)c1	13401431	GXIKHIVIAGZHTA-FRKPEAEDSA-N	430.360	5.686	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	34895268	VKBYKAFGMXEONZ-QFEZKATASA-N	429.432	5.089	50	40	IKGB	
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](Cl)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C	123213194	UDTZSJGXTVVSNB-CAKNJAFZSA-N	433.076	6.960	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2C(C)=CC1(C)C	208524391	CIBIRQJEXWGZIL-MZJWZYIUSA-N	435.955	6.180	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)c2)c1	408581079	UFKUJCOPXNTZPF-WOJGMQOQSA-N	437.326	6.384	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	408742845	QCPBHVOIBBRKEY-NVNXTCNLSA-N	433.298	6.262	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C)c1	408799284	YRWINLCAFZWMIV-OEAKJJBVSA-N	430.511	5.724	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1	409064712	FLOMGCAIIOQRIX-HZHRSRAPSA-N	426.472	5.975	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1	409196272	YIMUCOIKJOTKLQ-WQRHYEAKSA-N	442.918	5.423	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(F)cc1	650448	TYGMUTDPHMJSRQ-RWPZCVJISA-N	425.463	5.897	50	40	IKGB	
CC(C)CC(=O)Nc1ccc(C(=O)N/N=C(/C=C/c2ccccc2)c2ccccc2)cc1	1803523	CLHKABVDAZSEJC-UIUPOVBUSA-N	425.532	5.519	50	40	IKGB	
COc1ccc2c(C(=O)N/N=C\c3cc(Br)c4ccccc4c3O)cccc2c1	16227775	PUFOBQHZNZLBLL-MXAYSNPKSA-N	449.304	5.234	50	40	IKGB	
N#C[C@@H](c1ccccc1OCc1ccccc1)N(Cc1ccccc1)C(=O)CCCCl	26895961	JCUKXXXJFDZUNX-DEOSSOPVSA-N	432.951	5.878	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cc(Cl)ccc3Cl)o2)cc1Cl	34793986	CLTAXUUDCAYWHA-VROXFSQNSA-N	437.710	5.744	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1	35168928	AHLKFAMDRZGWQH-UCQKPKSFSA-N	426.516	5.745	50	40	IKGB	
CCCN1CCC(=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)CC1	55079226	FIINUWZWCUGOBZ-UHFFFAOYSA-N	428.580	5.617	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1	59292101	HWXAJLOWIJLKDZ-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccccc1Br	408590844	QRXBJSHBVIQBAN-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12	408598940	LPRQFXCBJNNDIM-UCQKPKSFSA-N	425.915	7.145	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1cccc(Cl)c1	408786975	YWIMLZOSMZTGAB-ODLFYWEKSA-N	432.863	5.163	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	408788982	GVSGGIQKRHKKNH-GZTJUZNOSA-N	441.325	5.267	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OC(C)C	408800119	KRLICPCBEWTJFQ-LZYBPNLTSA-N	433.335	6.033	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(C(C)(C)C)cc2)cc1	408853787	SCVCIHCWVMBALQ-COEJQBHMSA-N	435.571	6.514	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1	409088943	HREQAEIOWORPNZ-RGEXLXHISA-N	448.906	5.482	50	40	IKGB	
N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1	409221882	VOGKDSSCSVXUIC-HEHNFIMWSA-N	432.976	6.147	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409255229	HLAOHZWKTNRMMI-VYYCAZPPSA-N	449.938	5.047	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)cc1OCC	409318136	UWIQTEYFOGHLHU-PKAZHMFMSA-N	432.520	5.135	50	40	IKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Cl)cc1Cl	409367620	BTFJPHMIEBXVKJ-WYMPLXKRSA-N	441.343	5.672	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(C#N)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409369087	BDUGTSLYMOUAMP-QQXSKIMKSA-N	444.494	6.605	50	40	IKGB	
N#C/C(=C\Nc1ccccc1I)c1nc(-c2ccccc2)cs1	999261	GLWVEXNONBFLTB-SDNWHVSQSA-N	429.286	5.391	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	4062715	HWZDMIOMPAABEA-JFLMPSFJSA-N	437.528	5.799	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc(C)cc1	12467251	IJZJJVGBINHMFR-RRAHZORUSA-N	438.531	5.427	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc(C)c1Cl	30937430	SWMLCURSMJRJHS-CCVNUDIWSA-N	445.950	5.489	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1F	34719816	AQBONLFRVRIMCU-BOPFTXTBSA-N	426.260	6.370	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc21	223507496	JPEOIHLLVBUPFM-QRVIBDJDSA-N	427.592	6.568	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccc2ccccc12	408735833	YGKHFNFPAFMDQU-KGENOOAVSA-N	425.919	6.446	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1	408737736	GEGNQJKNZADQFW-BRJLIKDPSA-N	445.263	5.070	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1	408766142	PFXJFIMHBVTOQA-JYRVWZFOSA-N	427.243	5.497	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408796859	QDCJJBUKMNKCSR-XIEYBQDHSA-N	432.523	6.527	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C)c(C)c1	408819924	ZHJPYYZYACVWAU-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(I)cc1	409370599	AXIJPAZWEZBHBS-KAMYIIQDSA-N	442.212	5.524	50	40	IKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	409393204	VPCAJFVKKJHLFM-RDRPBHBLSA-N	441.962	6.030	50	40	IKGB	
NNC(=O)c1cc(-c2ccc(-c3cccs3)s2)nc2ccc(Br)cc12	2266987	MDJQFYKUSXKCSP-UHFFFAOYSA-N	430.352	5.058	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccc(F)c1	9292685	ODIKKUOSVONXAH-QFIPXVFZSA-N	438.462	5.013	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccn2c1C(=O)c1ccc(F)cc1	12621324	KUGSUHORRSNICK-IFRPGPDWSA-N	443.522	5.220	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1	20240633	KMJXVWYLWYFRSZ-JJKYIXSRSA-N	439.603	5.604	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)Sc1nc2ccccc2s1	34766354	IUDNBXKSAAULAK-RVDMUPIBSA-N	429.364	6.280	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1Cl	59336342	WUTFEROKCUZURG-WJDWOHSUSA-N	444.749	6.600	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12	59447297	CSVWSTUTZQTEOC-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	209489378	XQXHIAOVIBHDLN-WOJGMQOQSA-N	443.284	5.075	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(Cl)c1	408743178	ZOIDDGRZJJABRQ-YSURURNPSA-N	436.726	5.524	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC)c(Br)c2)cc1	408745636	UNOCAWSNIPNBJT-ZROIWOOFSA-N	449.732	5.446	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccccc1Cl	408792237	JWSOXIVKARMXIR-DEDYPNTBSA-N	436.902	5.760	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408797561	RXLOBJNFDFWVRP-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)o2)cc1Cl	408871213	WMEGCRZJMUZTPE-AQHIEDMUSA-N	437.666	5.369	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1	408939512	STFBDZOFVFOHCJ-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1C	408960409	LLZOXBADGQXWTP-XKZIYDEJSA-N	431.967	6.472	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408983623	MWYULKNKBVLRRK-ODLFYWEKSA-N	438.358	6.563	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc2ccccc12	409333410	PBGYUNJSPCCNFS-RGEXLXHISA-N	437.411	6.513	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc(Cl)cc1	409377620	ITKZUFDVGJYZPW-BKUYFWCQSA-N	449.938	5.413	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1CC[C@@H](C)C2	1772679	CELMMXPXMGPGGO-CXDFQFJYSA-N	436.577	5.719	50	40	IKGB	
Cc1cc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)c1	3082704	XRQLTCKABIHHOF-OGLMXYFKSA-N	443.547	5.060	50	40	IKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(Br)cc1	3092423	LFHRHOJELCHYCQ-WSDLNYQXSA-N	446.142	5.058	50	40	IKGB	
N#Cc1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1	3515433	ZNDAVRCRLBIJHF-AFUMVMLFSA-N	428.542	5.224	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1ccc2c(c1)OCO2	6445721	KEWRWIUMNHRRCA-QFIPXVFZSA-N	440.503	5.071	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccccc1Cl	12586036	DNFXUXCITVKYAL-CPNJWEJPSA-N	446.959	6.992	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	12598671	JWHVCFGAARHGCT-MHWRWJLKSA-N	440.856	6.707	50	40	IKGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1	13739471	RGIHAHHMWXRGMK-RGEXLXHISA-N	425.469	6.575	50	40	IKGB	
CC1(C)CC[C-]2C(=[N+](c3ccc([N+](=O)[O-])cc3)C(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)C1	57234786	LPKJWTFHQUILGY-JOCHJYFZSA-N	434.927	5.609	50	40	IKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	59117599	AFZJAOMTJXEKQT-WDZFZDKYSA-N	426.097	5.310	50	40	IKGB	
O=C(OCCCCCl)[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl	100930688	PKKSIDRANDIEFY-LIEZGIJOSA-N	435.389	5.400	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)cc1	102928434	MBOFXVDTTNETMG-HSZRJFAPSA-N	447.560	5.792	50	40	IKGB	
C[Si](C)(C)O[C@]1(C(F)(F)F)CC[C@@H]2C[C@@H]1CC[C@]2(O[Si](C)(C)C)C(F)(F)F	195760554	DZFQSRPDBPDJKO-LXTVHRRPSA-N	436.585	6.502	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccc(C(=O)O)cc1	408541461	GIIRPKHKJFYICL-DHDCSXOGSA-N	428.669	6.125	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	408745157	KKVSAHLVGJOXIB-ZHZULCJRSA-N	447.922	5.470	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)cc1	408965957	XZPWMSFFIDYIIH-IPPBACCNSA-N	435.449	5.781	50	40	IKGB	
COc1ccc(C(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1	409202634	SLJUOTWBMSQXDP-RHANQZHGSA-N	433.511	5.615	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc([N+](=O)[O-])c1	409213963	USNFKSCDNBXLSG-NDENLUEZSA-N	445.431	5.545	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2)cc1	409222707	DKSHRMAIPNODIK-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(C)=O)cc1OC	1300238	IGFHTHUKJXHRGG-LDADJPATSA-N	433.533	5.623	50	40	IKGB	
COc1ccc(N(C(=O)CCCl)[C@H](C#N)c2ccccc2OCc2ccccc2)cc1	2191115	VSRYCHFRKHDXHG-HSZRJFAPSA-N	434.923	5.501	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1	2633370	NNXBOUHVOQVLFH-LDADJPATSA-N	445.500	5.609	50	40	IKGB	
CCOc1ccc(N[C@H](CC)C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1	8398738	FPAQNMURZGMFLD-XMMPIXPASA-N	431.536	5.005	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccs2)[C@H]1c1cccs1	19371548	PDLZOMBDWSRKFQ-SJQUQUAPSA-N	443.597	5.471	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	28217045	LLUJCMYYAOGQAG-AFUMVMLFSA-N	429.948	5.519	50	40	IKGB	
O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccs1	33735859	VEFXCOLAQHXREK-OCKHKDLRSA-N	441.759	5.672	50	40	IKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3)c3ccccc32)c1	59116760	BYQDNXBRZKJLJE-QNGOZBTKSA-N	435.483	5.022	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)c1	105865365	CVRUHNNXHDMYBC-JFLMPSFJSA-N	427.504	5.233	50	40	IKGB	
C[Si](C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	169806645	GOYQRAIWCHDWCJ-UHFFFAOYSA-N	436.240	5.103	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl	408581656	YLUNHPSOYFPQED-FOWTUZBSSA-N	430.312	5.825	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)Cn1cnc2ccccc21	408691713	NCSXIBDHEKWUAG-ZROIWOOFSA-N	449.264	5.574	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl	408748973	JRHDUCVMLKZKIR-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	408771398	GKWBMAAPAVWOSH-SXGWCWSVSA-N	433.733	5.113	50	40	IKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408888394	VBULQXGCLJKADQ-GHRIWEEISA-N	427.888	5.753	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OC(C)=O	408981103	ZFVYTPUWDDIYGP-OVCLIPMQSA-N	440.297	5.022	50	40	IKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409094298	DAZJUJVFQVQVIM-YUMHPJSZSA-N	446.959	6.174	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1	409265265	RQWHWECKHWMVPP-QGOAFFKASA-N	433.851	5.330	50	40	IKGB	
COc1cc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)cc1Cl	1836941	SRDJVVDEZFQOIC-RAXLEYEMSA-N	442.884	5.365	50	40	IKGB	
CC(C)(C)c1ccc(OCCOc2cccc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2)cc1	4112916	LRABVARHKARERR-HEHNFIMWSA-N	437.543	6.382	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1	8842873	CUSAFYISLYGVNM-JLPGSUDCSA-N	435.527	6.192	50	40	IKGB	
Cc1cccc(C)c1OCCn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21	9730573	KAHBVCQEFKLXRQ-JJIBRWJFSA-N	449.554	5.561	50	40	IKGB	
Cc1cc(C(=O)/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)c(C)n1-c1ccccc1F	12558806	HQRIQRJMFAWKTI-IFVXEZJISA-N	439.534	6.177	50	40	IKGB	
N#C/C(=C\c1ccccc1O)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	12579399	NOIUTIZXQBAIAP-VGOFMYFVSA-N	430.316	5.292	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1	19818100	JZMQXHXOJKGTEQ-MZJWZYIUSA-N	438.358	5.316	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	33771679	XSHSIFXVQCEKDI-XYGWBWBKSA-N	447.513	6.748	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1	34890892	LEOAJIWEAJYCKK-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
Br[C@H]1[C@@H](c2ccccc2)CSc2n(-c3ccccc3)c(-c3ccccc3)n[n+]21	54361219	UREOWADHCIIHKL-NHCUHLMSSA-N	449.397	5.610	50	40	IKGB	
Clc1ccc(-c2nnc([C@H](Br)[C@H](Br)c3ccccc3)o2)cc1	100292372	DAZDIIGRADBXNY-ZIAGYGMSSA-N	442.538	5.962	50	40	IKGB	
N#CCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	254403233	OBUAXQAMHJYLCA-UHFFFAOYSA-N	449.470	5.083	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)O	408581542	XSKAWLLMLVBDDK-VGOFMYFVSA-N	436.689	5.029	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408848658	RSJOKKKAGCFLOY-LGJNPRDNSA-N	442.346	6.345	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCCc1c[nH]c2ccccc12	408948348	FPWWCJXFZTYLAB-JCMHNJIXSA-N	439.490	5.152	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1[N+](=O)[O-]	408993461	DEIYUHWPHYPEND-YSMPRRRNSA-N	426.476	5.228	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(Br)cc1	409023551	YOXWCXOTXRTNTA-KAMYIIQDSA-N	432.795	7.379	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4F)c(OC)c3)[nH]c2c1	409393552	YKLPXZYTOWQDRL-WQRHYEAKSA-N	429.451	5.362	50	40	IKGB	
CC(C)c1ccc(C(=O)[C@H](Br)[C@@H](Br)C(=O)c2ccccc2)cc1	1672159	ZFEPJPWLJHRYCN-IAGOWNOFSA-N	438.159	5.403	50	40	IKGB	
Cc1cc(C)c(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c(C)c1	1739453	SANMSYUPCDAQOR-JKSUJKDBSA-N	425.164	5.450	50	40	IKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3cccs3)c3ccccc3n2)c1	2109878	ZCBJSZSVPUDDLM-YZSQISJMSA-N	429.545	5.906	50	40	IKGB	
CC(C)c1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)c(Br)c1	12289767	NSONNJNNPDUWPT-ZMOGYAJESA-N	425.326	5.255	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cccc1[N+](=O)[O-]	28217470	KLNKITNUEWBEEO-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cn1	34857764	QPADTDBEFBIFEI-YBEGLDIGSA-N	427.420	5.040	50	40	IKGB	
Cc1cc(C)nc(SC(Sc2nc(C)cc(C)n2)=C(C#N)/N=C(\O)c2ccccc2)n1	41097998	KTIVSDWNEYZTRS-UHFFFAOYSA-N	448.577	5.082	50	40	IKGB	
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CSSC(C)(C)C)C(=O)O	96308766	QPVDBMCIAVPXQJ-FQEVSTJZSA-N	445.606	5.500	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1	108143905	APKZNEQQZUJQON-MOSHPQCFSA-N	436.471	5.561	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118914800	ZREFGLLKWFJLDH-VAOGIQNYSA-N	445.648	5.259	50	40	IKGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2[C@H](C)CC1(C)C	208301723	SZTRAZKARKRXDR-LZCVXGSNSA-N	428.374	5.325	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1	408793424	FKKZXTSMFYZKCY-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)c(Br)c1	408795753	WCZVGRLRVWSWHM-SFQUDFHCSA-N	435.321	6.180	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1	408871640	IBFNUJQYLSXMQE-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1ccccc1	409041669	KLRRHUICVAEMTP-CAOOACKPSA-N	449.164	7.943	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409045702	HGBUKSLNMYOCTR-RQZCQDPDSA-N	443.261	6.684	50	40	IKGB	
N#C/C(=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1)C(=O)NCc1cccs1	409204027	BUJJTFMMCYGDFA-NBVRZTHBSA-N	438.936	5.083	50	40	IKGB	
CCOP(=S)(OCC)Oc1nsc(Nc2ccccc2C(F)(F)F)c1C#N	2581906	DCLNWQNMWQISES-UHFFFAOYSA-N	437.405	5.453	50	40	IKGB	
Cc1sc2ncnc(SCC(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2c1C	2618352	CLPHHXURNHPKPX-UHFFFAOYSA-N	447.800	5.504	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc(Br)c1	3049765	HBWIPZIOYXWINM-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
N#CC1=C(N)Oc2c(c(Nc3ccccc3)nc3c(O)nsc23)[C@H]1c1ccc(Cl)cc1	9597246	DPUJSVAMXHKVOO-HNNXBMFYSA-N	447.907	5.012	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1	28216462	JUQFTFQSPQFPGO-MJDKSPQASA-N	425.985	5.687	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	33666297	IRRKHZWHGRTAHP-JLPGSUDCSA-N	435.527	5.321	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1	33677289	FOUXXZMRZOIVBP-KAMYIIQDSA-N	427.685	5.908	50	40	IKGB	
BrCc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1	41127393	BMVVOFYXMBQLPS-UHFFFAOYSA-N	443.138	6.819	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1	109020605	PRUZHUMYPHDQRG-ULJHMMPZSA-N	431.374	5.952	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1cccc3ccccc13)[C@H](C)CC(C)(C)N2C	208211702	XTUSGIDPWOXPAU-OAKYDWFHSA-N	429.564	5.399	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1	408760645	CHJLTOSFQUJXCQ-SXGWCWSVSA-N	444.749	6.600	50	40	IKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(Cl)cc1Cl	408761127	ICHGEUFTVZCXQA-SFQUDFHCSA-N	446.337	6.651	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1C	408777079	UTEOZCCRNJYBSI-BWAHOGKJSA-N	431.539	6.615	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408838076	BYMGTRKUJSPYRK-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C(=O)O	408844061	BQKKMTBPZDDIEF-ZSOIEALJSA-N	441.270	5.806	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1cc(C)cc(C)c1	408868389	OIZKRNHQIMKYOE-LPYMAVHISA-N	444.962	6.492	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(C)n1-c1cccc(Cl)c1	408922038	CUGDQGWOBDRNHE-WYMPLXKRSA-N	438.940	5.131	50	40	IKGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)cc1	408976021	DQZKNQDXYHJURA-HZHRSRAPSA-N	444.535	5.112	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccccc4)c4ccccc34)cc2c1	409187637	SSOXFICDJOQEHQ-NTFVMDSBSA-N	437.499	5.598	50	40	IKGB	
O=C(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccc(Cl)c(Cl)c1	1593671	ULEIMJGIXNHCHX-UONOGXRCSA-N	436.958	6.076	50	40	IKGB	
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C(/C=C/c2ccccc2)c2ccccc2)c1	4523949	TVBFPSUNKPNYMJ-SOJWVNGDSA-N	425.532	5.256	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)cc1Cl	59421117	OMNCGZCCVKWCLS-NUGSKGIGSA-N	428.102	6.324	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	110220172	PJHPIWCOKPLFMT-ATVHPVEESA-N	442.544	5.673	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21	208193105	AQYQBGGJPZYSDQ-SLVCOGOPSA-N	428.363	6.261	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)c1ccc2ccccc2c1	408549941	BWYVWJNNEMVTQE-XYGWBWBKSA-N	428.491	6.605	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1F	408881366	KVXAMCLDNNECEY-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCc1ccccc1	409210807	GUCARJILBVLOHA-ODLFYWEKSA-N	431.404	5.155	50	40	IKGB	
C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2C)=C(C)N1	3998064	GFNYADTXSWZXTH-QFIPXVFZSA-N	435.980	5.902	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nnc(NC(=O)c2ccccc2)s1	8860815	UNRQDHSOTXLKLB-NTCAYCPXSA-N	443.444	5.023	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1	59117686	RFEMQWHJSSKARC-PXLXIMEGSA-N	440.499	5.467	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1	59335542	YXQDGYXUYWYPED-GDNBJRDFSA-N	441.712	6.217	50	40	IKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](Br)CC[C@@]4(C)[C@@H]3CC[C@@]12C	86864347	WDRGNJZPWVRVSN-HFRBDLMJSA-N	449.561	8.791	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C(C)C	223596247	TWTZDEZBSDZXKG-LLMGEQIISA-N	442.003	5.678	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2cccc3ccccc23)o1	408591444	TUXRZASXEDLRFM-OGLMXYFKSA-N	434.499	5.287	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1	408744849	NPRLRAGXXHQBPU-UYRXBGFRSA-N	449.938	5.701	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c1	408760746	FINJLIYMXZXTRG-HZHRSRAPSA-N	434.495	5.973	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1	408888387	VAIBGSQWHSKGLH-KGENOOAVSA-N	426.472	5.077	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(Cl)c3)c2C)c1	408964213	CARDXCFTEOJXAU-QFEZKATASA-N	438.915	5.080	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1	409226663	QPWMLYLMWWPLKR-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	409361239	BLGYFHGESJCQBF-DICXZTSXSA-N	441.358	5.828	50	40	IKGB	
CCc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Cl	651049	PQDRDYMNYWYIEN-NRFANRHFSA-N	440.952	5.358	50	40	IKGB	
CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C(CCCC2=O)N1	723768	YWRMVTCAQYWAQO-HSZRJFAPSA-N	439.342	6.064	50	40	IKGB	
FC(F)(F)c1ccc2c(c1)N(CCN(CCCl)CCCl)c1ccccc1S2	1697168	NWPCMNYZBBGCLC-UHFFFAOYSA-N	435.342	6.088	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc2ccccc2c1	4209264	KKRXFSWZKVJISI-LDADJPATSA-N	433.294	6.952	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1	8861399	OCJJIGTUAIKHET-HYARGMPZSA-N	426.472	5.072	50	40	IKGB	
Cc1ccc(/N=C2\N[C@@](c3ccccc3)(C(F)(F)F)C(C#N)=C3Nc4ccccc4N32)cc1	12635602	MADKBOCTSFWHHZ-XMMPIXPASA-N	445.448	5.711	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccco1	13940792	WCUJHKDBKFHSEY-LICLKQGHSA-N	427.287	5.389	50	40	IKGB	
O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NNC(=S)Nc1ccccc1	15057285	VHGGHUVOFOKCOD-UHFFFAOYSA-N	445.375	5.297	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	32116855	IXLOPABPRSHALZ-VBKFSLOCSA-N	435.892	5.945	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Br)cc1	33752188	ULVPIBGMWAWSJX-FBHDLOMBSA-N	448.660	5.035	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1	34782985	KXRVOXYPQVGKOZ-UYRXBGFRSA-N	435.277	6.000	50	40	IKGB	
COc1ccc([C@H]2[C@H]3CCC/C(=C\c4ccc5ccccc5c4)C3=NN2C(=O)CCl)cc1	51330562	YMPWDTWLFDTFJD-XMCWSZHLSA-N	444.962	6.210	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Br)cc1	408535251	YDTCVPGBYOSVAA-GHRIWEEISA-N	432.346	6.427	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1F	408578920	BUXUHGJFFIPJGG-XDHOZWIPSA-N	438.296	6.240	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Cl)cc1	408579397	GWZVQDMKPBALGJ-VCHYOVAHSA-N	428.746	7.598	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408743752	UXBAZNXNIILMSW-NVNXTCNLSA-N	443.850	5.517	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	408775935	XBGVJZJLMLFIJJ-ZDLGFXPLSA-N	434.883	5.510	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408799651	ZURZCJWKNKHYGS-XSFVSMFZSA-N	432.907	5.863	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408869910	SUOIQBAQVFWQDD-FBRSGICBSA-N	446.978	6.349	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1ccccc1F	408870435	DPSZCFSQTXRHMG-XDHOZWIPSA-N	434.898	6.014	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)c1nc2ccccc2[nH]1	409048451	OQJPHURAQDMWJP-CXUHLZMHSA-N	438.289	6.652	50	40	IKGB	
O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@@H](Br)CBr	575360383	GXNYXWYVKCZEPK-QMMMGPOBSA-N	427.964	5.065	50	40	IKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	1428797	BEDFCXJZKXBXTI-DEOSSOPVSA-N	433.511	5.332	50	40	IKGB	
O=C(N/N=C(\c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1)c1ccc(F)c(F)c1	3118066	HBJTXIOMXMJMCH-RMLRFSFXSA-N	437.465	5.277	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)sc2Cl)c1	3657436	VVTVROYKNMKGOM-DHRITJCHSA-N	426.969	6.029	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1	8812370	JRIPDJMBVRDTTJ-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
C[C@@H]1C/C(=N\NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)CC(C)(C)C1	12601209	KXGQMZBIGDEZTM-UCQDIZFZSA-N	440.587	6.865	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccccc1Cl	23382689	YLRLBSWRKRTVBH-ACCUITESSA-N	431.369	6.752	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(F)cc1	33665515	JCCSYMQUHNEIQZ-NDENLUEZSA-N	427.479	5.971	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1nc2ccccc2[nH]1	50567692	WGMYHHOGJTVBBD-AQTBWJFISA-N	430.305	5.969	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	59535700	KLGNGXLGQWQSKG-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	59535974	UAHOEOKFQQKIGJ-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	223477045	ZUDAMOVEZASNKC-VULFUBBASA-N	425.960	5.279	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C(C)C	223596172	TWTZDEZBSDZXKG-RDEZCIGGSA-N	442.003	5.678	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@]12C	253618466	QNEPTKZEXBPDLF-UBJVJSOMSA-N	449.119	8.772	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1	408580732	RLGKMPYZQVUNOC-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)c(Br)c2)cc1	408604189	UGZRMXRXIOZCEG-MHWRWJLKSA-N	429.314	5.038	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3F)cc2-c2cccc3ccccc23)c1	408725475	PRZUPQRAKWIWJP-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c2ccccc21	408861189	PAVCEIOIAZHGAP-SFQUDFHCSA-N	435.911	5.020	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(I)c1	408922215	FAZQWGZESWVPLV-IZZDOVSWSA-N	443.071	5.144	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409145821	RAJOPXXIZUJGPD-QFIPXVFZSA-N	439.298	5.496	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	2177721	NRNUDBTVUJUDES-XHCMJAMOSA-N	431.319	5.463	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1	2203210	AQJVIZFORNFFSS-JOCHJYFZSA-N	436.964	5.711	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1	2773858	XPYPUPSAIJLKCF-XYOKQWHBSA-N	428.231	5.707	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC	4290133	GYDYNFXHRVCGGE-XMHGGMMESA-N	437.496	5.417	50	40	IKGB	
CC(C)(C)C1CCC(=NNC(=O)CCCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1	5726590	LAVNLBBLQBABTE-UHFFFAOYSA-N	432.653	5.574	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ncc(Br)cc2[nH]1	9805737	DTDXFGKIRNJGGP-LICLKQGHSA-N	431.293	5.364	50	40	IKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	17286326	ZEQZOZRJDBHFCQ-GHRIWEEISA-N	434.477	5.262	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccccc1	18173360	OSZUQTQHIIWDIC-UDWIEESQSA-N	437.326	5.796	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1	19900987	NHSLALORRMZXKM-HSZRJFAPSA-N	432.593	5.730	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	59116899	TUCAMMZMJADQQM-PTNGSMBKSA-N	433.733	5.827	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(C(C)(C)C)c1O	59152958	VYOWWXZGXTYBMF-WYMPLXKRSA-N	447.373	5.219	50	40	IKGB	
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@]12CC[C@H](C[C@@H]1Br)C2	101779121	IIAWWHLXTZIUND-GIJMVEMTSA-N	431.355	5.126	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21	208222202	JVKHHQRNCFLXAH-LZAZYHHXSA-N	426.564	5.156	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1	408743794	BRNFMINGCOPDET-YBEGLDIGSA-N	428.294	6.086	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Br)c3)o2)c1	408745147	KFFCMBMRUJKHQL-VBKFSLOCSA-N	437.293	5.653	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1	408798126	UPKJIZWGJILUQD-UDWIEESQSA-N	434.898	6.166	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	408873314	SRKSPFSDVAZFAS-PCLIKHOPSA-N	437.337	5.111	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(I)cc1	1453280	QZBJMXZEJYRTQP-NTCAYCPXSA-N	440.240	5.097	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)[C@@H]1COc2cc3ccccc3cc2O1	8384747	KLZMQIKONDJXSJ-WTQOLCSMSA-N	432.863	5.043	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	13165462	MUGYLABYSLPCCR-XMMPIXPASA-N	431.605	6.335	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3-c3ccccc3)o2)cc1Cl	13602598	CVPQTHCVJLARPN-NTFVMDSBSA-N	444.918	6.105	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1	15018556	RETOYRMTDRPVBW-MZJWZYIUSA-N	428.875	6.572	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1	16733714	BXBMPRXQCHSADF-AQTBWJFISA-N	449.495	6.121	50	40	IKGB	
COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N	20348298	PVQNNOOIEHXCCM-OAQYLSRUSA-N	441.556	5.063	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1	33391983	BSEDIUWQVVABFE-HAHDFKILSA-N	441.531	5.681	50	40	IKGB	
COC1=C(C#N)C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1	118925192	QNZIBMSGZZXNKE-WMHBQASISA-N	425.701	8.142	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223576131	BCCQYCNTEJJQLH-MGMNCFQJSA-N	443.591	5.789	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)c(Cl)c1	260572483	VZRZSLJGALTHGF-BLNASNEQSA-N	426.004	6.221	50	40	IKGB	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1	408724567	MCMDRIOLRYXGKL-MWAVMZGNSA-N	442.522	5.970	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c(C)c1	408787597	CJOBRFHZZIAERH-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	408793769	GLSZZNAEDNJUJP-RCCKNPSSSA-N	435.483	5.022	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(Cl)cc2)c1	408803045	KQVHGLNPROJUNY-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2cccc(Cl)c2)c1	408804243	DSASPNQCDQKALH-LDADJPATSA-N	434.879	5.179	50	40	IKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408895772	OECQGOPISGDMMW-AUEPDCJTSA-N	446.315	5.637	50	40	IKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1ccc2ccccc2c1	408897364	RSCRXCCODLPVMR-NDZAJKAJSA-N	444.490	5.976	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)cc1C	408989735	IRLOSYYHPKCRIJ-LDADJPATSA-N	430.489	5.304	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C)c1	409199072	BGSZJAOGOXGVEM-JAIQZWGSSA-N	434.879	6.208	50	40	IKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(Br)cc1	409234221	JEULXLYQTZEZPO-FYJGNVAPSA-N	431.308	6.655	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@@H]32)cc1OC(C)C	12401633	XVXPKJWNTPVABE-AXHZCLLHSA-N	444.579	5.348	50	40	IKGB	
Cc1ccc([C@H](Nc2cccc(C)c2)[C@@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16292105	QUFDVMUEEBQOKX-XTEPFMGCSA-N	436.580	7.076	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OC	59296976	GYYJTDPRCYKFLR-RIYZIHGNSA-N	449.732	5.364	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1	59536029	RCQIOKFCKQNOCL-CPNJWEJPSA-N	446.890	5.422	50	40	IKGB	
Cc1ccc2oc(=O)cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1	95676985	GTSVIBSXJAIYEE-UHFFFAOYSA-N	435.483	5.596	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	208250206	VVYSFKWMYMAQDF-JBBSTVMTSA-N	438.786	6.133	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408530469	LXUJODSLTGLBBV-UVHMKAGCSA-N	442.346	5.443	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408539119	TVSTVLGKWRFCRX-AQTBWJFISA-N	442.943	5.862	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)ccc1Br	408566577	ANQZZJPQVJBBSG-YVLHZVERSA-N	449.327	6.245	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1	408760443	YSXWVBWLCXKFFD-ATVHPVEESA-N	437.282	5.758	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccccc1C#N	408807377	COTMEHBGSAMEJT-SNIWVNSTSA-N	443.547	5.138	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)cc(C)c1OCc1ccc(Cl)cc1Cl	408845675	HCLLYNHOEGQMHS-RPPGKUMJSA-N	428.319	5.348	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408850931	GOSDOFIHNCDHPB-MYKKPKGFSA-N	445.306	5.255	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408879900	HQHGMZWTRZMAIP-BUVRLJJBSA-N	440.543	5.847	50	40	IKGB	
Cc1c(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(Cl)nn1-c1ccccc1	408894338	PXVFLZHZLLOZOT-CHOFVFFHSA-N	433.364	5.118	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)c1	408942262	YPWUJVAPPDYNAL-XYGWBWBKSA-N	432.523	6.581	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	409248518	KYOHGGRSCVIWJG-DICXZTSXSA-N	440.902	5.150	50	40	IKGB	
Cc1c(/C=N/NC(=O)COc2ccc(C(C)C)cc2)c2ccccc2n1Cc1ccccc1	2309785	YIGDMKJWPVORIA-STBIYBPSSA-N	439.559	5.651	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	9202419	YJSOBZWMMJQOOX-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(F)cc1	9948808	FRJOLMJDDVSBHD-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC(F)F	15979441	OWICQJXBGATMJT-GHRIWEEISA-N	436.414	5.635	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)cc1C	28216475	BKYCETJRVHTAKC-FOGHPNEFSA-N	440.012	5.995	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC	28617488	BUFNSVGDYMPMAN-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1OCc1ccccc1	28699982	OEHNIYKZCXAGDR-RCCKNPSSSA-N	428.488	5.219	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc2cccnc12	33323873	WRDKBSLEHFRKGG-PTNGSMBKSA-N	434.282	6.347	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc(C)c1	59133136	URGKUBXZWHGOJP-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1	59198802	WDSXHJNPCSYVRG-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c(C)c1	59201735	FCNRBEXPVYACAV-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COc1ccc(C(=O)NN/C2=C(\C(=O)C(F)(F)F)CCCCCCCCCC2)cc1	59488966	QQXJKXSEKQUISE-HNENSFHCSA-N	426.479	5.230	50	40	IKGB	
CS/C(=N/N=C(/C)c1ccccn1)SS/C(=N\N=C(/C)c1ccccn1)SC	104234573	IPXCKVUYVWXLKW-GRTBYSNFSA-N	448.668	5.444	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118928361	QNEPTKZEXBPDLF-XALWJPMUSA-N	449.119	8.772	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(Br)cc3)cc21	208473588	DMPGHRKUTQXGRK-MFOYZWKCSA-N	427.773	6.798	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc2ccccc2c1	408550108	DPWJIHWEQTWZMP-JLPGSUDCSA-N	440.340	7.245	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	408599594	XDCWWYGFCJIWMW-ZMOGYAJESA-N	425.872	5.570	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc2ccccc12	408756274	RCJGZYODVHIEAV-JLPGSUDCSA-N	448.522	6.282	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)c1	408788014	CGEMOEAIBQQJIC-BWAHOGKJSA-N	431.539	6.615	50	40	IKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408810358	KIEGKFZMHWESOZ-BLGABIECSA-N	443.374	6.174	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	408923514	JAUQUBKERBIIFS-FRKPEAEDSA-N	444.749	6.600	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NCCCc1ccccc1	409235280	AZKOZQAFDZAYCG-OOAXWGSJSA-N	446.550	6.075	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)c1	409269054	DHWMKQZERRSCAQ-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)[nH]c2c1	409392356	PEOWRELGZBNWOP-WQRHYEAKSA-N	426.432	5.123	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	685952	CKJNCOTXWNJWCO-RLWLMLJZSA-N	432.527	5.089	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	942174	LXSPLIWZANAJGT-GXDHUFHOSA-N	427.338	5.419	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1	2338246	SWFXKPJMYWTMDQ-XODNFHPESA-N	444.453	5.926	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccccc2Br)c1C	8843325	IWLGHZUALSKIAE-QFEZKATASA-N	438.369	5.491	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1)c1ccc(-c2ccccc2)cc1	9110389	QKZFHVCGOFVLJE-VUTHCHCSSA-N	430.511	6.051	50	40	IKGB	
COc1cccc2sc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)nc12	9381739	XOHHVPPOOZJUNZ-UHFFFAOYSA-N	432.530	5.339	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OC(=O)c1cccc2ccccc12	16157823	ATPBZWDRVKXKBD-JVWAILMASA-N	442.471	5.123	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1	33471785	UFSYCHPNGHGQTD-BKUYFWCQSA-N	442.515	6.601	50	40	IKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C(C)C	33797576	YVCZFUXVTFZAOX-FSJBWODESA-N	425.510	5.404	50	40	IKGB	
C/C=C1\[C@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(C(F)(F)F)cc1	100225598	LWAINBSECASKDV-BIMOUXMDSA-N	443.313	5.870	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C(=O)NN)CC[C@]4(C)[C@H]3CC[C@@]21C	118928965	HJVWCTNBJZXJIV-COTULDOOSA-N	428.705	6.634	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	408539342	VRBBXEYIRMUYTO-UNOMPAQXSA-N	445.390	7.115	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1	408580724	RHMISBCLVPNDKF-OEAKJJBVSA-N	429.516	6.054	50	40	IKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)c2ccccc2)c1Cl	408815838	VENDGMQEELCGRB-NTCAYCPXSA-N	427.287	6.571	50	40	IKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1	409189232	NJVUGGNDJLKLLZ-FOWTUZBSSA-N	434.879	5.711	50	40	IKGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409224325	KKMLFJYCYYHQAA-MXAYSNPKSA-N	427.287	5.285	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CBr	2060989276	IUDGJQLJLVHCCO-UHFFFAOYSA-N	448.486	6.302	50	40	IKGB	
CCOc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C	2766538	PYEYWFQCCJAYAZ-DYESRHJHSA-N	436.943	5.120	50	40	IKGB	
C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(Br)s1	9361124	ZPEXSVLYGGTGOX-OEAKJJBVSA-N	440.366	5.549	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1	12559948	WWNKCKILGBXFER-SOUXEIOYSA-N	447.538	6.177	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OC(C)=O	13648105	PVGXOKMDIMMKBS-NHDPSOOVSA-N	426.497	5.961	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)cc1OC	19690949	HVUNOBHHLNCNRZ-HSZRJFAPSA-N	432.545	5.066	50	40	IKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	28216285	BQSRTDCBPHMIIM-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)sc2n1	96336482	PNMGNDDWKIFKAI-BHGWPJFGSA-N	443.359	5.775	50	40	IKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1	106360922	PFQBJKNAKHKJQY-ULJHMMPZSA-N	431.374	5.952	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Cl	408543460	PEIJZBHRKMYFMU-CHHVJCJISA-N	444.318	5.493	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(N2Cc3ccccc3C2)cc1	408734297	OGJZIFAOVSXOSL-FDAWAROLSA-N	441.534	6.277	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408787686	DSJJMNSTHLDYNT-YBFXNURJSA-N	448.309	5.990	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)c(Cl)c1	408816528	LTYROZOAHAKYMT-SXGWCWSVSA-N	428.294	6.086	50	40	IKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408885855	FZFKJSXEYLWCTM-GHRIWEEISA-N	427.888	5.753	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408965880	JPQMRRHHNSRMRU-JFLMPSFJSA-N	437.971	5.574	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F	409191825	ODPHXULRSIDVEK-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
N#C/C(C(=O)c1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	1439957	BBKZXAMXNJMUHF-WTALZMIHSA-N	444.943	5.649	50	40	IKGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	4062713	KFWOPIRPJZOHDA-ZVHZXABRSA-N	443.488	5.226	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057366	HPXATDRBUJIHST-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
O=C(CSc1nccn1C1CC1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	11894488	LWQBRGZVIZMTID-MZJWZYIUSA-N	444.482	5.396	50	40	IKGB	
C/C(=N\NC(=O)[C@@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	14922441	IEUJZMYRKLAMRN-JNPOWPEBSA-N	427.504	5.058	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)cc1	27345709	YUOMREZVFHFTPB-HKOYGPOVSA-N	439.511	5.918	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2s1	34895504	XXOAKPKCNUDYTD-UYRXBGFRSA-N	434.973	7.185	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OCC	59473509	ZLDHNPSGCPMPNI-OVVQPSECSA-N	448.588	5.930	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc(F)c1	408746079	XDHVGWMFVZYRPT-BKUYFWCQSA-N	430.479	5.658	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1	408774602	PQDJYQLEPXOPRR-YBEGLDIGSA-N	444.749	6.600	50	40	IKGB	
Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1C	408856038	PCXCFCJMGCFYQZ-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	954251	XCRRSLUIUAFGFR-CXUHLZMHSA-N	428.344	5.895	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)sc2c1CC[C@@H](C)C2	1302724	CLPQHBYVBGNZSF-XDPMZMSMSA-N	433.533	5.077	50	40	IKGB	
C=CCC[C@]1(C)/C(=N/NC(N)=O)CC[C@@H]2[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21	5230546	FKDQTWHEENTAQA-KAEXUMAZSA-N	443.720	7.298	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2c(ccc3ccccc32)o1	8437551	QLZCRJHNRLGRMH-QFEZKATASA-N	425.400	5.518	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	20197700	STGFBMFGNHUOCL-VULFUBBASA-N	444.362	5.954	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1OCc1ccccc1Cl	33417553	VDNAMABQSHJJAZ-AQTBWJFISA-N	432.932	6.601	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1	59266527	CKKDLEMSWMJPMH-UYRXBGFRSA-N	448.906	5.482	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c3ccccc32)c1	408678465	ZIMOQARPOOSCTI-RDRPBHBLSA-N	436.559	5.362	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccccc1	408740609	CNAUKYIMAMWRHE-QINSGFPZSA-N	440.240	5.097	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)cc1	408781422	ADBAUVKIZXAFRD-UNOMPAQXSA-N	439.342	6.642	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1cccc2ccccc12	408784015	QLCXYQBNOCHMGT-JLPGSUDCSA-N	449.554	6.580	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1	408791677	AQDOJEPGHDMLFY-XSFVSMFZSA-N	432.907	5.863	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408802694	GDYQUNMITDZABG-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl	408921630	BHEDSIQOFWGGIC-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2	693876	NWLZTAJOUXFCRI-MZJWZYIUSA-N	442.544	5.416	50	40	IKGB	
O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)N/N=C/c1ccccc1O	1499233	RQMBNJFFAWETJS-DHRITJCHSA-N	426.303	5.347	50	40	IKGB	
CC/C=N/NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	8385475	BDUJNWBLVDORAG-YCPBAFNGSA-N	443.454	5.293	50	40	IKGB	
N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2cccc3ccccc23)cs1	9445071	UZGACIJRPZXVEM-DYTRJAOYSA-N	445.547	7.732	50	40	IKGB	
COc1ccc2cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c(Cl)nc2c1	14165745	HLKZAZMFNRGYDS-LITAXMHPSA-N	434.348	5.181	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	33774679	AXVNBIYPHQVWES-GDNBJRDFSA-N	435.367	5.507	50	40	IKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	33855337	TTZBWVBDKQUMAX-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
CCCCCCCCCCCCCC(=O)N/N=C/c1c[nH]nc1-c1ccc(OC)cc1	97965602	KQTAQKXTXNICDV-LGUFXXKBSA-N	426.605	6.237	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1c(C)ccc2ccccc12	408804496	ALVZPXWUSFYYHL-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1	408895868	OIEFVHSCCLSVPD-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl	408990219	WFYXNVTUNVWKTK-ZDLGFXPLSA-N	434.883	5.510	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1ccc(O)cc1	409370409	QJOLWBIZUNYDAR-XFFZJAGNSA-N	444.230	5.413	50	40	IKGB	
ClCCN(CCCl)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1	1752924	PBDYGXXKARCUJJ-UHFFFAOYSA-N	430.375	6.129	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	9353152	PFSGVDZXOQYKTB-UFFVCSGVSA-N	428.113	5.085	50	40	IKGB	
CCOC(=O)c1sc2[nH]c(/C(=C\c3ccccc3Cl)CCCl)nc(=O)c2c1C	33663997	FZXPVQLXOOTQOI-RAXLEYEMSA-N	437.348	5.293	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)S(=O)(=O)c1ccc(Cl)cc1	40221120	NHCYNANXEVQWGX-MHWRWJLKSA-N	438.719	6.245	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OCC	59473288	HSULOEBVPAKJTL-YZSQISJMSA-N	434.561	5.540	50	40	IKGB	
O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C\c1ccco1	68706521	LKWBSDOCWMWFJX-PFQJNYNCSA-N	444.579	5.125	50	40	IKGB	
ClC1[C@@H]2c3ccccc3[C@@H]1c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1	104105379	WAEZPFVZRQEOQG-VSGBNLITSA-N	428.962	8.372	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(Br)c3)cc21	208463053	YWXJVFUXEQEVTQ-WYMPLXKRSA-N	446.776	5.498	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C(C)C	223598162	PVAREGZMXCKKKV-HRVJUDJTSA-N	435.999	6.695	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc([N+](=O)[O-])c1	408746497	ZREUXEGDJZAOHH-NDENLUEZSA-N	443.459	5.037	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408746987	XPKGQQIDXXACSZ-BOPFTXTBSA-N	440.330	5.955	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c1	408763539	GAJCSCSDCJKDBT-LFVJCYFKSA-N	448.522	6.363	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1nc2ccccc2[nH]1	408810665	LAGQBSKZEBWIDP-HMMYKYKNSA-N	435.914	7.013	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccccc3)cc2Br)c1	409049125	UWBOERYDBGFCFL-DEDYPNTBSA-N	447.332	5.839	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccccc3C#N)cc2c1	409187152	MUTFQJIWGULYMG-NTFVMDSBSA-N	439.471	5.046	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1	3247980	KLDPDCQDQCSVAM-GZTJUZNOSA-N	443.856	6.312	50	40	IKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)c2n1	9057842	WKTAGMRPYYFRNP-QGOAFFKASA-N	436.496	5.750	50	40	IKGB	
N#CC(C#N)=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1	9233721	PMINKANWFAAHHM-UHFFFAOYSA-N	436.078	5.360	50	40	IKGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	13425217	STBLTBXUEVXXQL-DHRITJCHSA-N	448.935	5.677	50	40	IKGB	
N#C/C(=C/c1sc(N2CCCCC2)nc1-c1ccccc1)c1nnc2n1CCCCC2	33796840	FONVFQZQBCQAQY-MNDPQUGUSA-N	430.581	5.182	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)c1	34880902	GAAORUUMLYDODJ-UCQKPKSFSA-N	441.531	5.433	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	58871611	HQQTTYHHTIBWIF-NDZAJKAJSA-N	436.555	6.480	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260572403	VERBZVXKAZMTMZ-TUBDAXHVSA-N	442.390	6.570	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)ccc1OCc1ccccc1	408765819	YFTOJGSMGYXQKW-KGENOOAVSA-N	428.488	5.219	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1C#N	408848285	SVTYQUJRQAEIJE-RHANQZHGSA-N	435.483	5.376	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)c1	408856822	LPEBNFOIZWQLMM-SSZFMOIBSA-N	436.309	5.184	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408869909	SUOIQBAQVFWQDD-AUHYQZIYSA-N	446.978	6.349	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccc(F)cc1	408872436	NIZGIPAROROLOY-XMHGGMMESA-N	435.296	5.725	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408888250	XXDJGJQDNNHBSC-BRJLIKDPSA-N	430.335	5.482	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	408941518	WUWLVEZHAACHGT-UNOMPAQXSA-N	447.878	5.681	50	40	IKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1	409325281	XMUFUBVNHYLWQH-HYARGMPZSA-N	425.915	7.145	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C5CCCCC5)cc4)c32)cc1	987129	OXPQJHHIHCRPBF-QFIPXVFZSA-N	426.520	5.351	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	1195393	GIPZHNBTYMJMNM-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
O=C(N/N=C(/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1)c1ccccn1	13894573	HGMZVOWBNQNJAO-MIXAMLLLSA-N	437.343	5.302	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1	59248261	MTZDEEHPRMXRGY-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3F)n2)cc1	100843743	GOXMNYNEULIPCQ-RAXLEYEMSA-N	430.302	5.697	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	208250416	HYXVWLKAVKIUDT-BTQGWNRHSA-N	438.786	6.133	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223557192	BTAASFCUXKRCSQ-ISRVBRPNSA-N	435.999	6.695	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1	408726142	QAHQSWJXHBEFOF-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(F)cc3)cc2-c2ccc3ccccc3c2)c1	408727987	YYNXFEWPIYVFAZ-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408799492	ZHFXJQAZTQUFAR-HEHNFIMWSA-N	427.504	5.395	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(Cl)cc1Cl	408812105	CBQIQPMZHSZUMK-XFFZJAGNSA-N	428.113	5.250	50	40	IKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408885454	AFGSCCKHWUSHCM-OQKWZONESA-N	448.478	5.613	50	40	IKGB	
O=C(N/N=C\c1cccn1-c1ccccc1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1	408946032	ORAIFPCEPPQLFY-MIXAMLLLSA-N	438.575	6.173	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1	409170555	VKHQERLRDODEEC-VULFUBBASA-N	439.427	5.827	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1	409190702	VIYOTBKDDLKLRH-ZVHZXABRSA-N	440.341	5.019	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1	409262860	JGLRGRJKEURGJY-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OCC	409314026	JVTBXRXFLVBGCC-CPNJWEJPSA-N	436.349	6.854	50	40	IKGB	
CCCCOc1cccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccccc2)c1	2186669	QGYBNEILTMXXFZ-FYFIDXDESA-N	439.515	5.540	50	40	IKGB	
COc1ccc2c(C(=O)N/N=C/c3cc(Br)c4ccccc4c3O)cccc2c1	3183716	PUFOBQHZNZLBLL-DHRITJCHSA-N	449.304	5.234	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc(C)c(C)c1	4196601	IYBCRRVXWICAQA-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl	40161452	XYIWURMPRAWEFD-WJDWOHSUSA-N	441.318	5.101	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12	59201402	MYJCTMXBSYINSX-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Br)cc1	59534505	DJKWLOMDZLYXGA-GZTJUZNOSA-N	440.366	5.142	50	40	IKGB	
Cc1ccc(C(=O)N/N=C2\C/C(=N/NC(=O)c3ccc(C)cc3C)CC(C)(C)C2)c(C)c1	89612082	WXKZRBRJFCCULK-LKZLBIQXSA-N	432.568	5.002	50	40	IKGB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c1	102687147	WKONOKVYUJPCCQ-HMMYKYKNSA-N	448.551	6.612	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1	208240811	FSTLDFPSULZLBX-GYXHFJGISA-N	437.971	6.006	50	40	IKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC	408539422	HJPHNBKKFMGELY-YUMHPJSZSA-N	436.474	5.827	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	408539736	YKBVSTYWMAZZQB-HEHNFIMWSA-N	438.543	6.509	50	40	IKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	408585667	GXSARASTBIDLSL-MFOYZWKCSA-N	449.164	7.943	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1	408744238	XLSRQTGOKSAJEB-MFOYZWKCSA-N	441.289	6.257	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1	408745704	OKSXLNGUEZTCRM-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1ccccc1F	408865069	AXFVISBZXCJTMP-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc2ccccc12	408880780	KVQJOBHRKGEERM-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccccc1C(=O)O	408889117	DUGHPXVRVAVBFW-CJLVFECKSA-N	448.478	5.663	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)o1	408960688	NVBCKFLZRWUPLI-JFLMPSFJSA-N	441.487	5.125	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)c1	409003176	YKKYNDHITIJUAB-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1	409073250	LOFIHVLPDZFKJX-WOJGMQOQSA-N	429.863	5.558	50	40	IKGB	
O=C(CCl)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1	8754967	HLMOQZZNPCQZSW-UHFFFAOYSA-N	430.867	5.118	50	40	IKGB	
Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2cccc3ccccc23)cs1	9445821	SNVIHQONOLDPQY-GHRIWEEISA-N	446.373	7.011	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)o2)cc1	9489387	GZUOCHSCSVKLJO-CPNJWEJPSA-N	444.487	6.450	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	34689114	PMDHTHRHAPOBQV-STZFKDTASA-N	445.994	6.899	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccccc1	40138997	DSWFREDMAVMISM-CJLVFECKSA-N	449.510	5.715	50	40	IKGB	
Cc1cc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c(C)cc1Cl	100019289	UQFWYIQBXGFENR-RCOXNQKVSA-N	436.846	6.085	50	40	IKGB	
ClP1(Cl)=NP(Cl)(Cl)=NP(c2ccccc2)(c2ccccc2)=N1	104361475	ULSUQJYUYDRTBX-UHFFFAOYSA-N	430.967	7.615	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)c1	143154968	LRNWDRGIIHYISF-ODLFYWEKSA-N	439.342	6.642	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCC	408587094	PZJOYZKEBPHLMZ-AUWJEWJLSA-N	441.152	6.617	50	40	IKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21	408598669	HXZAGMBKOKGKGZ-OCSSWDANSA-N	428.495	5.478	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408726010	OCNZEIBCIDKRAR-ZHZULCJRSA-N	443.459	5.118	50	40	IKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl	408728741	SJQLNCIYGIKRLM-WMJRALALSA-N	449.319	5.081	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(C)s4)cc3)cs2)cc1	408840812	BSQGXBNUQKITGP-ZMOGYAJESA-N	432.574	5.996	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Cc2cccc(F)c2)c1	408867225	JOSPFZXWIINEMG-DEDYPNTBSA-N	434.898	5.933	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408879962	HZLPGROLYOACGW-CIBMEXNLSA-N	441.369	5.305	50	40	IKGB	
N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408890245	QGMQSEGIXRZEBT-BJMVGYQFSA-N	441.068	5.210	50	40	IKGB	
COc1cc(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C(C)C	409033377	LCWSESMLQWZORY-RHANQZHGSA-N	437.543	6.106	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl	409246483	BVUXVHUTDMKQQG-BOPFTXTBSA-N	443.856	6.312	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1OCC	409306312	ZKXAELWZOKBNTA-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1Cl	409317160	SDLCGWOILJPOND-KQWNVCNZSA-N	439.942	7.535	50	40	IKGB	
COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1	409373757	ZYXFTCOVQSHXJD-HXUWFJFHSA-N	441.984	5.270	50	40	IKGB	
Cc1cc(OCc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)ccc1Cl	648748	AIYUESXWODDQBE-OAQYLSRUSA-N	438.911	5.271	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	1911508	DFMRJFQOLDPUHU-QGOAFFKASA-N	448.504	5.443	50	40	IKGB	
O=[N+]([O-])c1cc2c(cc1[C@H](Cl)[C@H](Cl)c1ccccc1)[C@H](O)[C@@H](c1ccccc1)N2	4235276	CJLRAVOKFQHUCE-MBDNFAEBSA-N	429.303	6.055	50	40	IKGB	biogenic
COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3ccc(C)cc3)CSC2=C1C#N	9693488	GKRBRAUTBUDJFJ-OAQYLSRUSA-N	441.556	5.376	50	40	IKGB	
CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(N=C=S)ccc21	31319581	GKMSREGJMYNJMR-UHFFFAOYSA-N	443.528	5.121	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc12	33519520	NHKLDNPSWJUSRY-QRVIBDJDSA-N	426.314	5.465	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3OC)o2)cc1	35227141	WNWVAZKWLJRALZ-JVWAILMASA-N	442.471	5.049	50	40	IKGB	
COC(=O)c1cc(N(CCCl)CCCl)ccc1/N=N\c1ccc([N+](=O)[O-])cc1	104184666	FNMYMDSIPBZIIM-DQRAZIAOSA-N	425.272	5.081	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3F)o2)cc1	252506340	VZRIMPWMSVRSCJ-GXDHUFHOSA-N	425.257	5.702	50	40	IKGB	
CSc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408757113	WWNIBOQCRJQQBF-WGOQTCKBSA-N	426.626	5.792	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2cccc3ccccc23)c1	408803695	SFKKCVATCSNMIH-LFVJCYFKSA-N	448.522	6.282	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1	408847967	XJVNYMOUTYIIEI-LGJNPRDNSA-N	442.346	6.345	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1OCc1ccccc1	408862109	IGIPCCPLAAPRCB-WGOQTCKBSA-N	434.561	5.215	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1cc(C)cc(C)c1	408872576	GQVZCRXRAKBEOK-CVKSISIWSA-N	438.571	6.455	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br	409032652	CVUHYYYKXHBQBJ-CVKSISIWSA-N	444.332	5.737	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1	409261658	CNQATMGUZGDDCX-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CC(C)c1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cs1	2743845	GPLXYGIDJCBUHV-LGJNPRDNSA-N	448.979	6.142	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](Cl)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	5632815	JWVMDCGVUCHMAE-UBGXUHKQSA-N	437.108	7.009	50	40	IKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)s1	12570961	GHRKKRDZPGLXMX-MDWZMJQESA-N	434.373	5.956	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C)c1	15226204	UXMPCSRDCCNENK-KOEQRZSOSA-N	440.543	5.239	50	40	IKGB	
O=C(Cl)c1cc(Br)c(-c2cc3ccccc3oc2=O)c(Br)c1	226357467	POVWHKJCKRGIBK-UHFFFAOYSA-N	442.490	5.364	50	40	IKGB	
CC(=O)[C@H](Cl)[C@](C#N)(c1nc2ccccc2s1)[C@H](C#N)c1nc2ccccc2s1	254486802	HDACPNLLLJNGAP-LZHZSBQWSA-N	436.949	5.171	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C	408587331	FKDWBOHEVCFYJH-JVWAILMASA-N	440.503	5.157	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c3ccccc32)c1	408735316	QMTIJCRIUKVGHU-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408804092	VQGGKYDMEZQYSX-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(Br)c1	408857974	OJMDZHVZWLVZGZ-CFRMEGHHSA-N	436.309	5.367	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1-n1cccc1	408896988	VEKVLQNQWAHFQF-ZVHZXABRSA-N	434.839	5.063	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2)cc1Cl	408990912	OYFBNGRJNDUBSU-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409018876	XLAXMHODTGJCNB-WYMPLXKRSA-N	436.855	5.166	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Br)cc1	409186146	XNPOSMZMMVXMLR-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)NC(=S)N1	409371908	MKMFOMAJZVNAFA-HSZRJFAPSA-N	427.573	5.761	50	40	IKGB	
O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccc(Br)o1	821734	LHOPRYFGWFNDJB-UHFFFAOYSA-N	443.688	5.063	50	40	IKGB	
O=C(NC1CCCCC1)NN(C(=O)Nc1ccccc1)c1nc(-c2ccccc2)cs1	1415269	HSLXPRGIDCPVDF-UHFFFAOYSA-N	435.553	5.396	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC3=C2C(=O)CCC3)cc1	2212792	LZIXVTFSNPHEFT-XMMPIXPASA-N	443.572	5.104	50	40	IKGB	
N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	8916914	LUXNWHWGOOUOLT-GXDHUFHOSA-N	426.259	5.028	50	40	IKGB	
COc1cccc(/C=N/NC(=O)Nc2ccccc2)c1OCCCOc1ccc(C)c(C)c1	8952160	GNSXTOLLYONTSO-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(Br)c1	9667604	PKUHBPAMHXAVNE-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1	40007466	RGAHFUWECPFLGU-PXLXIMEGSA-N	446.934	5.193	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1C	59255377	UXRKICNKZNPFGE-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(C)cc1	59296894	DNXNADDCYMPZSD-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59447344	YHJQRZQPWNIABC-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473004	VOWBLQYQMIPFCA-WGOQTCKBSA-N	436.964	5.961	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1Cl	408540099	MZWIFQUZEZVSEH-YUMHPJSZSA-N	443.374	6.870	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)cc1	408882619	RGVYAHUREYEXQG-SFQUDFHCSA-N	437.282	5.758	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409040641	HHMHXDUHJHJOQJ-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	409142216	CGQQIHLXLWADSO-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1	409187066	LNVZIZNFTWDKCA-MTDXEUNCSA-N	425.532	5.339	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1OCC	409314017	JUHBGEAOPQTXQV-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1	409364516	NVMHUAJIVBCMRD-RWPZCVJISA-N	429.951	5.653	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(I)cc1	409370833	BOXKMTVOYAFKCN-PTNGSMBKSA-N	431.660	6.269	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3C/C(=N\NC(N)=O)[C@]12C	4293140	OKIFINTYHZKNNY-YNUKSBOISA-N	445.648	5.259	50	40	IKGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	12957168	DBTZWOQVWFRVBA-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc2ccccc12	39884784	ZUJFUZCZFDYVPN-FOWTUZBSSA-N	433.294	6.952	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2[C@H](C)CC1(C)C	208311106	GWBFACMIGFOGGM-MDFSBEDCSA-N	431.502	5.510	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1Cl	408566490	AEUUQXNVWVIOHG-YVLHZVERSA-N	433.870	6.007	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3)cc2-c2cccc3ccccc23)c1	408727763	XKKRNUAJDRRVIR-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(F)cc1	408741049	JRSQKRPYMAKXAL-UNOMPAQXSA-N	438.296	6.240	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1	408795869	MWKAMEIHFZXWEI-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1	408941618	XKFFDRCTJTTYOT-NDENLUEZSA-N	446.890	5.251	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1cc2cc(Cl)ccc2o1	409017364	NJIPBVOLGMIKMU-KSEXSDGBSA-N	443.684	5.873	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Br)cc1	409391094	HBBHMBANHRBWMZ-ODLFYWEKSA-N	438.296	6.240	50	40	IKGB	
CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CCCl)c1ccccc1CC2	2296373	OWTVETOKXBHNTK-UHFFFAOYSA-N	426.988	6.234	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(F)cccc1Cl	6143355	MYQDAHXPUYXQGJ-LFIBNONCSA-N	433.870	6.007	50	40	IKGB	
Cc1cc(C)c2nc(C)cc(SCC(=O)N/N=C/c3ccc(Br)cc3)c2c1	6177855	RKZRIJNXZKXIML-FOKLQQMPSA-N	442.382	5.165	50	40	IKGB	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC4CCCC4)cc2)C(C#N)=C(N)O3)c(C)c1	8382674	IGHUFXBJNVRALN-QFIPXVFZSA-N	426.520	5.233	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12	9202427	UWNIOAVUJUCIRB-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1	28216042	XKKVZFPYMUUBHK-BRJLIKDPSA-N	429.948	5.270	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)cc1C	28216472	BKYCETJRVHTAKC-YMSFFTPVSA-N	440.012	5.995	50	40	IKGB	
N#C/C(=C/c1ccccc1I)C(=O)Nc1ccc(Cl)cc1Cl	33659338	UZMFATHRWWOZSX-XFFZJAGNSA-N	443.071	5.144	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(F)cc1	34736009	MDWHRJZQGCJCFN-YUMHPJSZSA-N	449.525	7.359	50	40	IKGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59473573	ZEOILBJFDHMYGO-TURZUDJPSA-N	440.568	6.051	50	40	IKGB	
O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1	103705280	TZCVIQSRPKVPNS-AWNIVKPZSA-N	427.815	5.585	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C(C)C	223599769	AAQXWGBYXDTXPF-UZQMFHLOSA-N	437.425	7.322	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OC	408793670	FWNXPMTYCAUHDD-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccc(F)cc1	408807785	OTGZLJHSMOCGHT-XMHGGMMESA-N	427.454	5.822	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccc(O)cc1	408886721	LPLRBPBJQXIEFZ-QGOAFFKASA-N	449.304	5.279	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Oc4ccccc4)cc3)n2)cc1	9445067	MUNAFSXRLLUKFR-LVZFUZTISA-N	439.540	6.978	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(Cl)c1	16398784	PGCFBCIUUHWZSL-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
CC1(C)CC2=NC(SCc3ccccc3)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1	104146501	JMWBAHCISJJTJC-QFIPXVFZSA-N	434.992	7.179	50	40	IKGB	
ClCCN(CCCl)c1ccc(/N=N/C(=N/Nc2ccccc2)c2ccccc2)cc1	104382237	YHFSXEYOWPLHML-ASGCLEHZSA-N	440.378	6.528	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	108276022	MGWJWRDAMQYKMO-AFUMVMLFSA-N	439.899	5.499	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1	408788351	CIKKEPCKASLZAI-DEDYPNTBSA-N	436.471	5.452	50	40	IKGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21	408816998	VDDBISCMZNSWHW-SFQUDFHCSA-N	435.911	5.020	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2ccccc2o1	408819700	RHHFCPRKDNBGTR-LQNQUEJISA-N	443.506	6.353	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	408829779	LYVNCBYNCXNNED-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	408853471	UDWMWRLZSKNUBA-QINSGFPZSA-N	425.319	5.396	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)cc1	408922076	DWAVMCOIUGVROM-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408949322	AZCAZLHJBPVTJT-QINSGFPZSA-N	425.319	5.396	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1C	409021323	BJMPFXZTIGLZFA-WYMPLXKRSA-N	429.998	5.732	50	40	IKGB	
CCc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)cc2c1	650446	RZGBKBHRVAPNSY-JOCHJYFZSA-N	441.922	5.163	50	40	IKGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C(C)(C)C)s3)C3=C2CCCC3=O)cc1	1057850	HVZLTWCGBCALTL-JOCHJYFZSA-N	433.577	5.359	50	40	IKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1C	4610868	ARAIVNJUPJCTMK-XHDRYZQBSA-N	425.960	5.696	50	40	IKGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	6073997	XXINZVOIBYNWPE-YBEGLDIGSA-N	425.307	5.562	50	40	IKGB	
O=C(N/N=C/c1ccccc1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	9059354	FCWNAJLVDRNUCF-DHRITJCHSA-N	448.935	5.677	50	40	IKGB	
N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)c1nc2ccccc2s1	9185559	MVKCACGMPHVAQP-FYWRMAATSA-N	440.459	5.300	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(Cl)cc1Cl	16157617	ZIVBVHCQOCYXCX-BRJLIKDPSA-N	427.356	5.947	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1COc1ccc(Cl)cc1	17099289	AYUTWUNEIAGKBO-QFIPXVFZSA-N	434.927	5.094	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	26123856	COSDOHWMUZWASB-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
Cc1ccc(Nc2c(CCCl)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1Cl	27585372	HDQDPPFZBFPZRD-UHFFFAOYSA-N	425.363	6.500	50	40	IKGB	
CCOC(=O)/C(C#N)=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	33348066	VNWWMZKAASJVJP-PQAKKTAISA-N	425.569	5.264	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	59117448	DYYYDCBCGZLWJC-LDADJPATSA-N	446.337	6.542	50	40	IKGB	
C[Si](C)(C)OC(c1ccc(I)cc1)(C(F)(F)F)C(F)(F)F	202882826	ZNEVQZJEZZPOAH-UHFFFAOYSA-N	442.213	5.463	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C	408592537	ZAIOSMJFKYRBJO-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1	408708467	QMCNXUHOVJXHGN-CVKSISIWSA-N	434.927	5.043	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	408769230	POORHWOBTRGNOX-OVVQPSECSA-N	431.605	5.730	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1C	408798458	IJXDVQFQAHVMOP-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1cccc2ccccc12	408800892	RTVKWBQISRFVMT-CKMDTHJYSA-N	428.532	5.639	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1ccccc1Cl	408868468	OMERXRMOGKAZBI-HYARGMPZSA-N	430.935	6.184	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1	408876475	LMVDYPITBAPSGO-RCCKNPSSSA-N	430.891	5.263	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1Cl	408983214	GGNJKJATTPCEGI-ODLFYWEKSA-N	433.895	5.300	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1	409069128	WIYMBNHPTWSKNT-PCLIKHOPSA-N	439.511	6.155	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1	409245327	QXUHFLZWTAYDLO-YKQZZPSBSA-N	435.502	5.675	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2cccc(OCc3cccc4ccccc34)c2)NC(=S)N1	409368570	CHHMACHAACGHLK-QHCPKHFHSA-N	427.573	5.761	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1	2206565	PFDGNLNERKZJEX-QFIPXVFZSA-N	434.923	5.370	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	2553518	WEBPWWWABYQIFX-VGOFMYFVSA-N	448.762	6.240	50	40	IKGB	
Cc1nn(C)cc1/C=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12	2767515	JWZFQKABPMAQAD-OPEKNORGSA-N	438.318	5.014	50	40	IKGB	
Cn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CCC4)ccc21	8444572	VRHMYXYLVMYLRR-AREMUKBSSA-N	445.526	5.031	50	40	IKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1	8763834	NRIJJRZIRXYJBP-XDHOZWIPSA-N	449.963	5.806	50	40	IKGB	
C=C(C)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	12250001	AAZNUKKKSAUONM-HSZRJFAPSA-N	431.561	5.339	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	33362183	IHAWPTMSTVOUDM-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)[nH]c2c1	34720708	AOOZUOQHQVUSAL-ZHZULCJRSA-N	447.498	6.155	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)Sc1nc2ccccc2s1	35128835	CDKYZLLRYLTPLQ-UYRXBGFRSA-N	434.973	7.185	50	40	IKGB	
CN1/C(=C(\C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)Sc2ccccc21	102667145	SZXYDGINJJQRIP-RGEXLXHISA-N	440.937	5.028	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(F)cc1	108017411	MAQPDHBUUYYBLN-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[C@H](C)CC1(C)C	208310706	CZJLPGCRRUBCSH-DISPHTKASA-N	442.390	6.651	50	40	IKGB	
C=C1CC(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1	408733936	SILROTYQHJWPQO-BRJLIKDPSA-N	433.335	5.387	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408768756	IVTDFDYFDXCVCM-HMAPJEAMSA-N	447.966	5.758	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(F)cc2)c1	408806510	FBALHRVBBKUQBZ-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408808910	GVDYTSCNGHSZBH-HQXXTQMQSA-N	425.576	6.176	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408874538	DJJSVVXXRVXNHO-VDQSNYGXSA-N	431.363	5.849	50	40	IKGB	
Cc1oc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1Br	408876176	NITOFFPMJRLEIT-FSJBWODESA-N	443.366	5.548	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408888440	VMTRTNAOSAMSDK-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1	408926620	XGGFBFLYXHPCGK-DEDYPNTBSA-N	447.332	5.882	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c(F)c1	408964701	DDPDGLUMUILIBZ-WCMJOSRZSA-N	446.485	5.617	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)c(C)c1	408984408	QOTSPGFFXBPTLG-BOPFTXTBSA-N	434.879	5.549	50	40	IKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1Br	409138979	KQYZMQUKOJJDCA-DNTJNYDQSA-N	432.170	5.139	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	2775890	SJDWRSSPBZIPGA-AQTBWJFISA-N	446.337	6.542	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1Cl	3067302	GGDMVODBYOKODM-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)COc3ccc(C)c(C)c3)c2)cc1C	13858059	VOANBLYUZTXTOC-CULPDNDYSA-N	430.508	5.570	50	40	IKGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CN2CCc3ccccc3C2)cc1	15162727	OUPZTPZOBIQXGE-FDAWAROLSA-N	445.566	5.261	50	40	IKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1cccc2ccccc12	33773184	AHWFAVGIXJBUQC-PKAZHMFMSA-N	439.471	5.020	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl	59432711	CEJDBDGNQPFMFC-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1cc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c(C)cc1Cl	71789917	UQFWYIQBXGFENR-ZXNZYJFHSA-N	436.846	6.085	50	40	IKGB	
Clc1ccc2scc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1	95676412	YEYBIHGGNGJJJV-UHFFFAOYSA-N	443.959	7.049	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1	209401613	WHIFUXMHDYKCSZ-FYJGNVAPSA-N	434.333	6.409	50	40	IKGB	
N#CC1=C(N)S[C@H](c2ccc(Cl)cc2)[C@](C#N)(C(N)=S)[C@H]1c1ccc(Cl)cc1	230295994	YCSVQCWWFNNSLM-SQGPQFPESA-N	445.400	5.055	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1	408527169	FGPFCTSFTXMETQ-WKULSOCRSA-N	428.511	5.008	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2nc3ccccc3o2)cc1	409049156	VDAJBEXPEIMJGY-VCHYOVAHSA-N	435.310	7.086	50	40	IKGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCC	409208255	BLTFHBQFFGGGIR-ZVHZXABRSA-N	432.973	5.108	50	40	IKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3)o2)cc1Cl	2068707	QDOSNWHROMKJAV-VULFUBBASA-N	440.927	5.435	50	40	IKGB	
O=C(N/N=C/c1ccc(Br)s1)c1cc(-c2ccccc2)nc2ccccc12	2702351	CVSXBKGZKGKMHH-YDZHTSKRSA-N	436.334	5.490	50	40	IKGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)c2)n1	8781348	LNGGCXGFGURJMX-STBIYBPSSA-N	432.527	5.619	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCc2ccccc2)N1	9324681	FTVIKDNOPUOSNT-XMMPIXPASA-N	441.556	5.856	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)c(C)c1	12560406	CKFYCJAFJQZXHE-PCLIKHOPSA-N	439.603	7.034	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1	59401647	PESKJKXXAYMCGO-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1	59676719	QTPQIMPSJAHPGS-OQKWZONESA-N	444.966	5.003	50	40	IKGB	
C#CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	408548841	LZLYGQPVYABEJG-NDENLUEZSA-N	435.264	5.521	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccccc1	408772147	BNNSYWOVSBXEJE-HMAPJEAMSA-N	442.515	5.607	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccccc2Cl)c1	408888832	BNPGPGVUBCHACX-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c([N+](=O)[O-])c1	408889595	HLBPSNSVFVQPKD-GZTJUZNOSA-N	435.524	5.750	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408934609	CRCVHQMTUJUIRE-MYKKPKGFSA-N	445.306	5.255	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	409223882	GJXQCDWYSGUMNB-IMQIKVDYSA-N	440.591	5.725	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2ccccc2o1	681287	STYRROWJNKBLTE-VULFUBBASA-N	438.443	5.108	50	40	IKGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	954271	TWWNGNBPFARBFN-VGOFMYFVSA-N	430.316	5.292	50	40	IKGB	
Cc1ccccc1C(=O)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1sc1ccccc21	8387628	QYUXEZYGEAPCGH-QFIPXVFZSA-N	438.508	5.647	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1	9244171	GXPGHLMAAMJQQL-GOSISDBHSA-N	440.425	5.102	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1	10058849	YTSIITVZILMGSF-XQQRIMOMSA-N	430.508	5.850	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccccc1	17102833	DKWZQTOLQYFUBQ-QNGOZBTKSA-N	438.918	5.416	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCC	33736246	BPBYGONXKIJBSS-CXUHLZMHSA-N	440.341	5.804	50	40	IKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CCC2=O	139825328	AXWYROHIFVWHMR-UGTOYMOASA-N	438.395	5.390	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	408582033	LGITUYRKTBHEJB-CIAFOILYSA-N	445.471	5.054	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccccc1	408773211	HJGSOGVJOZJOSY-PGMHBOJBSA-N	449.466	5.873	50	40	IKGB	
O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1	408953460	WKUHZQXIPJSNNL-FMCGGJTJSA-N	442.700	5.403	50	40	IKGB	
COc1ccc(SCC(=O)N/N=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	408997361	NXJUZEBHVMOHNB-DICXZTSXSA-N	443.572	5.249	50	40	IKGB	
COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1	409373756	ZYXFTCOVQSHXJD-FQEVSTJZSA-N	441.984	5.270	50	40	IKGB	
Cc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3CCCCC4)N2c2ccccc2)cc1	3180748	XKCZEAURLADMLI-DAFNUICNSA-N	425.561	5.757	50	40	IKGB	
N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@@H]1c1ccccc1C(F)(F)F	8781597	WGHXYQDRUZKKMT-IBGZPJMESA-N	445.238	5.839	50	40	IKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)c1ccc(Cl)cc1Cl	16137102	CBOAWQLIVVNPFP-NUGSKGIGSA-N	433.122	5.435	50	40	IKGB	
CC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(SCc2ccccc2)N1	19898853	PNHADVCQSKMOCM-DEOSSOPVSA-N	437.568	5.955	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C(C)(C)C)cc1	35111820	ADNMFZMCRVDAPJ-CEUNXORHSA-N	446.620	5.837	50	40	IKGB	
BrCCCCCCCCCCCCCCCCCCCCBr	103647578	AYGKJDVBWSEQHQ-UHFFFAOYSA-N	440.348	8.798	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	207851757	FSAWNABGPAFWTF-ZSOIEALJSA-N	449.732	5.364	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2[C@@H](C)CC1(C)C	223545038	FINYSVNPDHUAHK-JZNDDVEWSA-N	437.971	6.351	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)c(C)c1	408800886	QBMWFYVRYORADG-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408951460	IWFLFRVTGAANIZ-FIRSQWHBSA-N	441.369	5.305	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1	409191027	YUSNZUMZVZFQTC-MZJWZYIUSA-N	444.922	5.006	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)c1C	409258402	TYTBDWDJVOSKAB-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Cl	3034280	GSDSPIFFAJGNDI-YSURURNPSA-N	437.710	5.744	50	40	IKGB	
COc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3CCCCC4)N2c2ccccc2)cc1	3185207	BBBNPWIIWFFFGD-DAFNUICNSA-N	441.560	5.457	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC1CCCCC1	8721827	ZTCJPXKITSKAQZ-LDADJPATSA-N	429.347	5.928	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCCOc3ccc(C)c(C)c3)c2)cc1	16157707	AGOFAYQAQXPLFS-XQNSMLJCSA-N	426.516	5.615	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1	19900989	NHSLALORRMZXKM-QHCPKHFHSA-N	432.593	5.730	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C	33660083	GERMMFXUMHSKMZ-ODLFYWEKSA-N	433.895	5.300	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1Cl	33722620	NUHWAWJMMUPDDW-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)NNC(=O)Nc2ccccc2)c(O)c1	100928290	OXCMPYSXJSSETG-UHFFFAOYSA-N	427.545	5.378	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)N=C3CCCC(O)=C32)o1	102514030	OOLMDRFVDLFMTG-HSZRJFAPSA-N	447.560	5.846	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc2[C@@H](C)CC1(C)C	223548012	ULMGXSLKPSQMBO-VHQYDUIRSA-N	427.976	5.370	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	408549414	SKMUGLJZILHASJ-ODLFYWEKSA-N	425.269	5.907	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1Cl	408592425	YCMKHSJBQUWZPN-MUFRIFMGSA-N	437.930	6.260	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(C)c1	408718681	UVRGZHNDXFXLDE-YSMPRRRNSA-N	436.895	5.030	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1cccc2ccccc12	408727071	XBUKDNGRPFPJMC-AAOOFGROSA-N	442.559	5.704	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408790170	UMZZTXKCDKSKCW-YZSQISJMSA-N	432.523	6.527	50	40	IKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408801324	VFYFRGFXRXHDMN-VEJKBTLKSA-N	433.335	5.403	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Cl)cc1	408870282	WCIZINNXHXJTRF-KGENOOAVSA-N	446.934	5.884	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)c([N+](=O)[O-])c1	408884015	WLSPRLMQXUDEQL-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cc(C)cc(C)c1	408888558	XBLWHSGHZJPJMB-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	409068178	HQGZKXJNHDXHHC-SFQUDFHCSA-N	430.312	5.825	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	409358943	HYMWZXFTLWPFKA-WGARJPEWSA-N	427.331	5.574	50	40	IKGB	
O=C(c1ccc2cc(Cl)c3ccccc3c2c1)[C@@H](Br)CBr	1676779	SLTJCRFHDABUBH-HNNXBMFYSA-N	426.535	5.988	50	40	IKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccccc2)nc2ccccc12	2236873	LHDXGUTXTLTPSM-AFUMVMLFSA-N	430.851	5.227	50	40	IKGB	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12	3083921	OJLFRDWWYAPUAJ-JVWAILMASA-N	429.907	5.515	50	40	IKGB	in-vitro
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	9310219	JLSAWEZTMBGSPE-QNGOZBTKSA-N	439.946	6.451	50	40	IKGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3\C[C@@H](C)CC(C)(C)C3)c2)c(C)c1	12564857	MCMLWGBUMVUTFP-XWFHWFJUSA-N	441.597	5.036	50	40	IKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCCOc1ccc(C)c(C)c1	13942092	LOOJDMHTEJDWCE-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCc1ccc(Br)cc1	19635451	FOUBYOSDCKDVDO-PDGQHHTCSA-N	442.353	5.949	50	40	IKGB	
CCC[C@@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Br)cc2s1	20132656	ZTPQVLVQHQPKOO-LLVKDONJSA-N	434.197	5.684	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1	20240631	AXPQEXSRQBFYKN-QUPMIFSKSA-N	425.576	5.295	50	40	IKGB	
BrCc1ccc2nc(-c3cccc(I)c3)sc2c1	73740258	IJRXASNWJYNZPY-UHFFFAOYSA-N	430.108	5.463	50	40	IKGB	
CC(=O)/C=C/C(=O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102972991	NFQDRXRDMLQQOM-OQKWZONESA-N	449.490	5.824	50	40	IKGB	
O=C(N/N=C1/CCCC[C@H]1C1CCCCC1)c1ccccc1OCCOc1ccccc1	103453838	DNIYXTNBPWIQAK-VBFPUSJLSA-N	434.580	6.001	50	40	IKGB	
Cc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)o1	252507365	WJFDXSRUFRJMNG-QGOAFFKASA-N	449.348	6.687	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1cccc(C(=O)O)c1	408542056	JRMPKGUYXAJFEF-KAMYIIQDSA-N	440.933	5.797	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	408746615	TXTLTEAGQLFXDL-JWGURIENSA-N	431.967	6.636	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	408783239	MURPJNZDIOVENX-GDNBJRDFSA-N	441.314	6.586	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408787482	ARJWPFHFAYCNTE-SFQUDFHCSA-N	426.900	5.248	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408792967	CKGQZMZYKZJSLT-HMMYKYKNSA-N	443.459	5.118	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(OC)c1	408806901	NOJXVFODGMIYMU-UDWIEESQSA-N	446.478	5.276	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408818084	XVGPBWWOFMKEDG-GIJQJNRQSA-N	444.745	7.299	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Cl)c2)cc1	408865656	DMXWVAMYBRPVCX-OEAKJJBVSA-N	444.962	6.492	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1	408934701	FVVPIFMSXFIYIF-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)c1	409041965	LNUSLHWQPKWJHF-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	409130161	WETUVEMRLPPHCK-CMPFEXHJSA-N	438.980	5.858	50	40	IKGB	
COc1ccc([C@H](Nc2cccc(Cl)c2)P(=O)(c2ccccc2)c2ccccc2)cc1	2163349	CCNUWDIKBVXYTF-AREMUKBSSA-N	447.902	6.473	50	40	IKGB	
Cc1noc(C)c1COc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	9461420	DBKAGLBHLVPSIB-UHFFFAOYSA-N	440.714	5.588	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	10059550	RXGAEDMBZOERIU-YJLDXCOUSA-N	439.559	5.732	50	40	IKGB	
CCCN(CCC)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1	15979034	LMROVSIYOLMAFP-BYFYWULKSA-N	446.620	5.800	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)[nH]c2c1	33760784	FILKZQYPPBCMSX-ZHZULCJRSA-N	436.946	6.900	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cccc1[N+](=O)[O-]	59447280	JIAUNBDMIHORGF-JVWAILMASA-N	439.471	5.399	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)oc12	223545662	OTLRGXCIYNUFJD-JEWIKEISSA-N	433.552	5.706	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OC	408789685	QZWQDPXWEMLPCZ-NTUHNPAUSA-N	435.705	5.055	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1	408796840	QFBOJGVNGPDJMA-OEAKJJBVSA-N	437.499	5.254	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)o2)c([N+](=O)[O-])c1	408816165	RDTXKRFASFULAO-NTEUORMPSA-N	437.839	5.371	50	40	IKGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)SCCS1	409265983	IXYACJVEHJYHAS-PCLIKHOPSA-N	436.602	5.455	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)NC(=S)N1	409370815	DPNOICJOICNCKL-IBGZPJMESA-N	446.403	5.915	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)ccc1O	2632600	OGPHZQAWWRRSLU-OGLMXYFKSA-N	440.499	5.287	50	40	IKGB	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2)c(OC)c1Cc1c(F)cccc1Cl	8781548	UMIZMFDKKBKQKT-AQTBWJFISA-N	435.882	5.877	50	40	IKGB	
CC(C)[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1	20133354	QLWLDYATRSUSGW-VIFPVBQESA-N	426.561	5.070	50	40	IKGB	
N#C/C(=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1nc2ccccc2s1	31942755	TYBPNCIJZWTMRT-BSYVCWPDSA-N	436.584	5.568	50	40	IKGB	
COc1ccc([C@H]2[C@@H]3CCC/C(=C\c4ccc5ccccc5c4)C3=NN2C(=O)CCl)cc1	51330559	YMPWDTWLFDTFJD-RBOHDDCSSA-N	444.962	6.210	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117487	RMNGAVDCUHHMCU-YVLHZVERSA-N	441.289	6.257	50	40	IKGB	
CC(=O)OC/C(=C\C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118930448	GTNLNZAZXARJCQ-DHKSFIJASA-N	441.612	5.590	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)oc12	208251142	DVERUFWFKBFVNH-JUCPORTRSA-N	439.943	5.581	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4cccc5ccccc45)c3)[nH]c2cc1C	408543473	PGJBYOPYQRKZKJ-BUVRLJJBSA-N	429.523	6.976	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1	408567564	FQRADLKJEKGPQV-ZDLGFXPLSA-N	447.897	6.397	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1OC	408579957	LZGZWCFNMVEJIS-LFVJCYFKSA-N	435.523	6.809	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C)cc1	408725604	LCOLQGWAMNNPGQ-IWIPYMOSSA-N	440.543	6.135	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408794497	IRPKANNFURJKRL-WUXMJOGZSA-N	425.699	5.600	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408839106	NAOILGJPVGAXDL-CVKSISIWSA-N	426.545	5.934	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCc1ccc(Cl)cc1	408848971	XLWZFOMLQCZWAJ-DHRITJCHSA-N	437.883	5.208	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCCC	409082263	RVXBBXPIZVSDMK-CPNJWEJPSA-N	435.480	5.056	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(C)cc2Br)o1	409228428	YTSXNTJEPMEAIY-FSJBWODESA-N	427.298	5.098	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)o1	409373020	SDVFOUAAEOHFDQ-RPPGKUMJSA-N	440.330	5.970	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	1091628	UEJCZVXVNYHFCO-SDNWHVSQSA-N	437.839	5.453	50	40	IKGB	
CC(C)c1ccc(C(=O)[C@@H](Br)[C@@H](Br)C(=O)c2ccccc2)cc1	1672160	ZFEPJPWLJHRYCN-SJORKVTESA-N	438.159	5.403	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	6194030	VBODIZSCDNOPFB-VULFUBBASA-N	435.593	5.103	50	40	IKGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccccc2Cl)c1	8453916	UPVYMRLUFMHESK-VULFUBBASA-N	426.303	5.400	50	40	IKGB	
CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1	9272721	KXTCWMOKEJBFJI-UAJSFSSKSA-N	440.572	5.382	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1	59517091	SDHNHZORUHSFSU-PCLIKHOPSA-N	429.948	5.086	50	40	IKGB	
C[Si]1(O[Si]2(C)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21	195786489	CAMWUGBJCGFXIK-UHFFFAOYSA-N	438.631	5.080	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1	408528449	HQTRGPZGAKEDDY-CCVNUDIWSA-N	429.442	5.210	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1Cl	408549248	RJOFLDQVIRESJX-UQQQWYQISA-N	432.954	7.869	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OC)c1	408815483	WWZMJPNWRSZEBJ-HYARGMPZSA-N	442.515	5.445	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	408820454	XVKJPQCAQDLFKQ-JLPGSUDCSA-N	435.527	5.479	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408874537	DJJSVVXXRVXNHO-HCMJPPQXSA-N	431.363	5.849	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	409143992	NSKZBWAFDFGRMM-NRFANRHFSA-N	441.314	5.387	50	40	IKGB	
Cc1cc(Cl)ccc1OCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)sc1C	650567	RMPVSAWTDTVMOP-OAQYLSRUSA-N	440.952	5.412	50	40	IKGB	
Cc1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1NC(=O)c1ccco1	12797142	XTSHVYPFIJGTFQ-UHFFFAOYSA-N	439.515	5.188	50	40	IKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CC(C)(C)CC2=O)N1	13080677	GHDZZYKSUDURBZ-QFIPXVFZSA-N	447.560	5.025	50	40	IKGB	
O=C(N/N=C(\c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1C(=O)O)c1ccccc1	22203630	FOMORRMXMQJPQE-PBBVDAKRSA-N	432.479	5.138	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cn1)C(N)=C(C#N)[C@H]2c1ccc2[nH]ccc2c1	31818263	GWZRFLCJUCZINW-JOCHJYFZSA-N	443.938	5.157	50	40	IKGB	
Cc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1C	35352417	WJZDRAWSNJERHT-QGOAFFKASA-N	426.545	5.452	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1	59117095	UBGFQGGUILVEEZ-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473485	DKSFSDLMJYRZJC-AFUMVMLFSA-N	438.936	5.322	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc2ccccc12	408740659	CWPOQZWBDKPZKY-KQWNVCNZSA-N	434.495	5.973	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1ccccc1Cl	408868531	MVYXMABLVUITBT-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409087693	JKRDKNMSLFGKEJ-CFRMEGHHSA-N	431.344	5.674	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1	409361534	HNSWDTMXMDEANU-UNOMPAQXSA-N	435.277	6.000	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1F	3236852	IKJRGIKMHCHDAP-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
CCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)CC1	9434924	HRDNDBRFZLFNJW-UHFFFAOYSA-N	443.385	5.598	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2c1	19877319	WLAVWXHISLWAPY-UVTDQMKNSA-N	427.287	5.709	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1	20244100	QJDJJLFVGWPKFV-OGLMXYFKSA-N	443.547	5.074	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C)cc1	33536219	AKAPGNGFHBMKIR-YUMHPJSZSA-N	428.488	5.483	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1	33712638	RIQRGSBIOYLFGK-HYARGMPZSA-N	446.934	5.541	50	40	IKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ccc(Cl)cc1	35198660	PEXSPBALTFYFQL-ATVHPVEESA-N	449.869	5.042	50	40	IKGB	
Cc1cccc2c1-c1ccccc1[C@H](Br)[C@@H](Br)c1ccccc1-2	68565044	SOUDCZZCCSUUMO-SFTDATJTSA-N	428.167	7.215	50	40	IKGB	biogenic
C/C(=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(Cl)s1	96399201	DOZWEBAHEOIBRC-QQXSKIMKSA-N	440.996	6.432	50	40	IKGB	
CC(C)c1ccc(N2P(=O)(N(C)C)N(c3ccc(C(C)C)cc3)P2(=O)N(C)C)cc1	104160475	YZJRRKNRBJYMOA-UHFFFAOYSA-N	448.488	6.599	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	223504153	XHTOZBICMBOTNB-MUFRIFMGSA-N	441.575	6.028	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1	408580864	FBOOOHLCFDWZMV-HZHRSRAPSA-N	425.915	7.145	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1	408743986	IYCGMZHHWHKZDF-ZHZULCJRSA-N	447.332	5.882	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1	408745986	PUCABXMWNWJWPW-HKWRFOASSA-N	425.919	6.197	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1	408795158	LISNINZGMYFTSH-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1cccc2ccccc12	408980108	UXVCAMPCZAOUNM-OEAKJJBVSA-N	437.499	5.488	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2cc(Cl)ccc2o1	409021353	CQWWHKLEIOVRFU-MXAYSNPKSA-N	449.850	5.337	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	409047212	NTFLEMAQMBWQAX-RQZCQDPDSA-N	443.261	6.684	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12	409359236	ANBZRHFLDPHMSG-QRVIBDJDSA-N	435.479	6.220	50	40	IKGB	
N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccc(O)cc1)C(=O)c1ccc(Br)cc1	8926204	YISVYMILPVWJBU-XKZIYDEJSA-N	444.288	5.065	50	40	IKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1c(F)cccc1Cl	9693322	PMHWXYFJNSYHAU-AWEZNQCLSA-N	434.323	5.352	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	59464369	GUHFAJYAKKOZSI-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
CCc1ccccc1[P+](Cc1ccccc1)(c1ccccc1CC)c1ccccc1CC	98174826	YRHGJWYOWKYXNM-UHFFFAOYSA-N	437.587	6.868	50	40	IKGB	
FC(F)(F)c1cccc(O[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)c1	100295779	SEUPHXGFZPGUQE-JEDBISTDSA-N	426.276	5.121	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)ccc1Cl	106701468	MWKJFCGLZUSZJG-JJUNSDDISA-N	428.916	5.053	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)cc2)cc1	408807510	CWMNFTHUIUSKJG-HZHRSRAPSA-N	426.516	5.691	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1	408862250	DTGHWLKXLICYAN-CPNJWEJPSA-N	449.938	5.701	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	408867109	JJHNOXUQVOHYKQ-WOJGMQOQSA-N	441.745	6.783	50	40	IKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	408896021	MMYPONJQWAFEDE-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Cl)cc1	408968122	ZOKNWFYOJOZDKP-MSXFZWOLSA-N	436.855	5.166	50	40	IKGB	
CCCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cccc(C)c21	409030154	CNUCVZCGTQZSKN-JVWAILMASA-N	429.589	6.064	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)o2)c(Br)c1	409237170	JUDFIEWYJACZTP-KSEXSDGBSA-N	447.716	5.200	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1	409312745	NHTSBYBZKAYCGB-KQWNVCNZSA-N	448.522	6.239	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2cccc(Cl)c2Cl)o1	818728	IEZDCNFHFMAMPA-SFHVURJKSA-N	429.303	5.704	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C)c1C	2387944	KUCRUBDUQMFPSW-WQRHYEAKSA-N	437.590	6.259	50	40	IKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N(NC(=O)c2cccc(C)c2)C(C)(C)C)c1	4109972	MADLCGHXBRTPQB-UHFFFAOYSA-N	443.547	5.141	50	40	IKGB	
N#CC(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)=C1Nc2ccccc2N1	9594609	CZKVDPWUKLKMFK-UHFFFAOYSA-N	441.541	5.292	50	40	IKGB	
O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccco1	13759545	ADKVUAZDTJEKEJ-DYMLFOFBSA-N	434.499	5.399	50	40	IKGB	
CCc1c(C)sc(NC(=O)/C(C#N)=C\c2ccc(COc3ccc(C#N)cc3)o2)c1C#N	19635982	RJZBGNIPAYEMKT-YVLHZVERSA-N	442.500	5.080	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	20197568	QZBDZBUWOAGEDG-LQKURTRISA-N	429.495	5.381	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1cccs1	20813571	KLMBTPOETZCCIY-IBGZPJMESA-N	430.982	5.594	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]	35154797	MMASAKRTYCNKGD-JWGURIENSA-N	449.466	5.873	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(F)cc1	59201559	LHUZIHXPZLYXFY-STZFKDTASA-N	430.479	5.658	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	59224830	FMXCLZLSQOSDRE-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C	408580216	NBSJHAAQORNCBK-AWNIVKPZSA-N	441.152	6.616	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1O	408759184	ZHLOPJUXOBNMCB-MZJWZYIUSA-N	449.422	6.377	50	40	IKGB	
Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(F)cc1	408766775	GEXXFSYJZZLTHO-MSXFZWOLSA-N	438.553	5.085	50	40	IKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791762	CASFZVSMKIRJPG-OQKWZONESA-N	434.495	5.973	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc3)cs2)cc1	408841885	HBCIFZBGKIHVSE-VULFUBBASA-N	446.963	6.279	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c(C)c1	408843291	FFLLNTVCJZFGRE-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408889553	FEDNHXXPZVVASY-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2nc3ccccc3o2)c1	409046038	ICMVYJAYWZPWIO-LDADJPATSA-N	443.890	5.871	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1	409189452	GSJPNGOHLJJGOL-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc(C)c1	409191482	XAAURUYKDVYLPL-NDENLUEZSA-N	438.955	5.592	50	40	IKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	409209089	FNQWDSJDVFYPQJ-NDENLUEZSA-N	449.304	6.309	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)c(Br)c1O	409390686	GPTOOBPPIHTLEF-SDQBBNPISA-N	441.094	5.519	50	40	IKGB	
O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@H](Br)CBr	575360381	GXNYXWYVKCZEPK-MRVPVSSYSA-N	427.964	5.065	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3cccc4ccccc34)s2)cc1Cl	954327	KZTVSBOSBNVDJV-DEDYPNTBSA-N	443.959	6.395	50	40	IKGB	
Cc1nc2c(o1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	1073825	CJKCJIWFFKLFON-KRWDZBQOSA-N	442.262	5.176	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1F	1101226	NXCHPFFNMLWXQG-XMHGGMMESA-N	427.454	5.822	50	40	IKGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2cc3ccccc3oc2=O)cs1	2199996	GVLWXKNLGDSNEM-SDNWHVSQSA-N	439.418	5.912	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2)cc1OC	4290269	YMKULTUONXAXPK-LTGZKZEYSA-N	436.552	5.987	50	40	IKGB	
O=P(OCCCl)(OCCCl)C(c1ccccc1)(c1ccccc1)c1ccccc1	5328626	IIQOKFHCXDOKRV-UHFFFAOYSA-N	449.314	6.682	50	40	IKGB	
CCc1ccc(Oc2coc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)cc1	6162618	PDUGJTJXYRZIJM-XSFVSMFZSA-N	437.451	5.660	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c1C	9263434	XKZCXOOHCASHEN-WOJGMQOQSA-N	427.464	5.260	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O	12140017	YBHIHEHYVIXERT-AWNIVKPZSA-N	447.741	6.004	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(C)C	16575318	NRBIKRWBWMZPPI-OVCLIPMQSA-N	426.314	5.433	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1ccc(O)cc1	34835112	PJOMJTQTNMFXIZ-LCYFTJDESA-N	443.684	5.614	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccc2ccccc2c1	34880025	VOFQZGNCNIEMCB-JLPGSUDCSA-N	429.479	6.815	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408737647	FSIRMUXTKGGJQL-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
O=C(N/N=C/c1ccco1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	408741285	IBNTYKAMQILCOS-ZTKZIYFRSA-N	431.495	6.168	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1	408788094	IGKBDNZJZUXPSS-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408798322	WBNYJDZIRCESII-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)cc1	408865790	BVVYZVMWRJZNSO-CJLVFECKSA-N	445.360	6.148	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408939105	HZCOVAJGODFNDY-MYKKPKGFSA-N	445.306	5.255	50	40	IKGB	
CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1	409370763	DSDIJWNUDZXWAS-OAQYLSRUSA-N	439.943	5.495	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	2670477	KFFDBZUJXFBTQU-FOWTUZBSSA-N	433.335	6.117	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)cc1Cl	9289404	UODQOMHOLZDYTD-FSJBWODESA-N	431.717	5.364	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1C	9311852	MMVZFSJJIREEQR-UDWIEESQSA-N	447.922	5.608	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])c1	9445019	MYMWOYDEZHGIRK-PKNBQFBNSA-N	447.303	6.010	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1	20764079	BCWLATMCJAXYJT-YDZHTSKRSA-N	427.298	5.180	50	40	IKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)o2)cc1Cl	44950333	VWHQCONBVRCWTA-LGJNPRDNSA-N	440.927	5.570	50	40	IKGB	
COc1cc(C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C	59177259	XWLJLTXKGDNRRK-UHFFFAOYSA-N	425.532	6.115	50	40	IKGB	in-vitro
COc1ccc(-c2ccc(/C=N/NC(=O)COc3c(C)ccc(C)c3C)o2)cc1Cl	67197000	FDOXUWDBUHJMDH-BRJLIKDPSA-N	426.900	5.063	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccccc1Cl	108159468	KOODMWIOYBRTFY-MOSHPQCFSA-N	443.934	6.567	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1	113833383	JIPWPEMEAGFWFR-XDHOZWIPSA-N	440.459	5.513	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21	208240899	SGKVJFSKJSSKQE-CIKBWMHTSA-N	428.363	6.261	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1	408742871	CHWBVKRHWPAPDA-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1	408792257	AEWZEZLTMBOAKF-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)c1C	408794760	JZDBVFHPNGXFCO-WSDLNYQXSA-N	441.918	5.953	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc2Cl)cc1	409127671	QTDGDSGXMQURSW-IBGZPJMESA-N	441.318	5.131	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(c1ccccc1)c1ccccc1	409390806	FSNXYELDHPWYHQ-LQKURTRISA-N	449.337	6.536	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409392768	RSJOIRQQQSQEQQ-LGJNPRDNSA-N	448.866	5.224	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCCOc1ccc([C@H](C)CC)cc1	4196625	UXJRHKCIYGRLBZ-NILAOQAMSA-N	441.571	7.121	50	40	IKGB	
CCCC[C@H](CC)COc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1	4281096	ZSGOOFPPDNUZMX-INIZCTEOSA-N	447.373	5.119	50	40	IKGB	biogenic
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2)cc1	10060133	XALNHRPODVKZQR-PHGNHDHESA-N	448.906	5.040	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccccc1Cl	13893108	SHMNEHWVGAZIHH-CPNJWEJPSA-N	429.907	5.468	50	40	IKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1	33593884	RIDHNYAJXGJMDR-PDGQHHTCSA-N	440.434	5.391	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	39884657	IIDLRRLVIBDIFN-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1	40007572	UTKLGRCTEOAWED-OVBDPADQSA-N	446.934	5.712	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Br)c1	108207817	YDSZQTKRRUUHMV-UYRXBGFRSA-N	433.305	5.574	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccc(Br)cc1	408579391	GSRZCVJEBREULE-LFYBBSHMSA-N	427.081	5.283	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(C)c1	408796484	OYDVMBIMHVQWQE-HZHRSRAPSA-N	426.516	5.827	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccc(C(F)(F)F)c1	408865906	FHJJHMFTJPLIKR-UVHMKAGCSA-N	426.463	5.659	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1	408886905	JTQNOWLVXZZYIS-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccccc3Cl)cc2c1	409187107	MDJRDXBYQRWZCQ-DICXZTSXSA-N	448.906	5.828	50	40	IKGB	
N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1cccc(C(F)(F)F)c1	409221574	SEDHRTQYOQMCHU-WMZJFQQLSA-N	445.622	5.373	50	40	IKGB	
CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl	409373173	RVDOVCZHMLOSTD-NRFANRHFSA-N	439.943	5.495	50	40	IKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	9948534	OCVLKXYITQMGRG-CCVNUDIWSA-N	444.453	5.792	50	40	IKGB	
COc1ccc2cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c(Cl)nc2c1	14165741	HLKZAZMFNRGYDS-MIDUAYCOSA-N	434.348	5.181	50	40	IKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c2)c1	16349134	QWQRDJWZYRYNFX-MXAYSNPKSA-N	426.303	5.318	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1F	33729827	POTWNQHMAKBHPK-UYRXBGFRSA-N	448.324	7.929	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1	59117320	XXWWIAGWTCBNJX-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(N2C(=O)/C(=C\Nc3ccc(SC#N)cc3C)c3ccccc3C2=O)cc1C	103004071	AZVJCISETQWQCV-UCQKPKSFSA-N	439.540	5.825	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1	223598073	KENQPEYWTMPOFQ-ALFKQNEGSA-N	445.607	6.440	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	408538588	OYVLGBXJNIXZSL-XMHGGMMESA-N	445.390	7.278	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1	408566082	DHCUPFIJHFRQET-UXHLAJHPSA-N	437.587	5.988	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3C)cc2-c2ccc3ccccc3c2)c1	408724112	FMZOCOKBWBSKGC-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1	408742999	REEVZPJPXTYXPS-WQRHYEAKSA-N	436.870	5.612	50	40	IKGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl	408760928	BAFQZMOGWIHZCP-WZUFQYTHSA-N	426.097	5.310	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408767514	LZEWBXFLCJGYBB-LQKURTRISA-N	432.611	7.626	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(F)c(Cl)c1	408809734	ITZOQJDAYLZSNO-YVLHZVERSA-N	429.720	6.713	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1	408870902	XWUXDJBZTCRVEX-XMHGGMMESA-N	435.296	5.725	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408887853	RQCPIVHSLBWXPG-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	408924304	MREMCQAXKQXALO-DEDYPNTBSA-N	447.922	5.470	50	40	IKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl	409012260	PTQAFRDIYSSHDF-GDNBJRDFSA-N	440.728	5.747	50	40	IKGB	
BrP(Cc1ccccn1)(c1ccccc1)(c1ccccc1)c1ccccc1	575436814	SNDLNEPHRNDPMU-UHFFFAOYSA-N	434.317	5.421	50	40	IKGB	
O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)c1c[nH]c2ccccc12	2630327	UHHASWDVMSRCAL-ZVHZXABRSA-N	435.578	5.107	50	40	IKGB	
O=C(NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1	3109724	AAAWDESCCWQWSZ-UHFFFAOYSA-N	434.234	5.174	50	40	IKGB	
N#CC(=C\c1ccc(-c2ccc(Cl)cc2)o1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-]	9057423	WZILGTKJZIGTPA-UKTHLTGXSA-N	428.231	6.357	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1	34782989	QLVMZVHNIASGLQ-WQRHYEAKSA-N	425.271	6.545	50	40	IKGB	
COc1cc(C(=O)Cl)cc(Br)c1OCc1cccc(Br)c1	226327558	LLYLIFVLWUQWKU-UHFFFAOYSA-N	434.511	5.178	50	40	IKGB	
C[C@@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@H](O)C1	255987662	MJLUKJALEPACMG-TUQMGJNKSA-N	434.693	5.628	50	40	IKGB	in-vitro
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1OCC	408540860	WNYZGYPKNIRNIP-ITYLOYPMSA-N	430.976	6.242	50	40	IKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(C(C)C)c3ccccc23)c(C#N)c1C	408547562	YZQJAOVIRHLMHN-LICLKQGHSA-N	445.544	5.359	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1	408579606	IOIPHDCSBKNFAW-VXLYETTFSA-N	428.746	7.598	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1	408817588	WHIISFQYCYDHNR-XDHOZWIPSA-N	448.906	5.482	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Br)c1	408817994	XMVUPZZYVZBRKM-BOPFTXTBSA-N	438.300	5.541	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1Cl	408996022	CNPBSILDPNFZNM-VYYCAZPPSA-N	436.342	6.318	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1	409045676	GZGUQOPJSWCBEQ-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693136	LYAMFWYKHUMJSP-GOSISDBHSA-N	439.968	5.267	50	40	IKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	16226446	WPKJEQUKPUMNKZ-KPKJPENVSA-N	425.204	5.022	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1	20764986	UJWFZAYXYODSSU-RDRPBHBLSA-N	438.527	5.890	50	40	IKGB	
COc1ccccc1/C=C(C#N)/C(O)=N/c1nc(-c2cccc(Br)c2)cs1	27345820	QZLBFBIYJVMUMA-OQLLNIDSSA-N	440.322	5.776	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccccc1	33730031	PZVOMSIVDXHRMS-OGLMXYFKSA-N	440.499	5.287	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1	33857644	ASTZDBPAUYQAQO-HMAPJEAMSA-N	426.472	5.126	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2c(F)cccc2Cl)cc1	408604166	TXBWZUAFYPZHIJ-LGMDPLHJSA-N	436.870	5.612	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Cl)cc1	408740186	AJFRYJHBJXHQRF-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCC	408761513	FKDUQVOHLQHZKP-ZVHZXABRSA-N	441.325	5.164	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1C	408798367	WHVWZAXDODBNLE-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)c(C)c1	408878428	AQAOOEOHVSVFHR-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1-n1cccc1	409231633	DNCXGGAHVDCLJT-MIXAMLLLSA-N	436.490	5.383	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)cc1	409239699	IMRSYNHWLCXBIM-MTDXEUNCSA-N	439.584	6.318	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(Cl)c2)cc1OC	409316790	MLNPNPAEABZRGL-CFRMEGHHSA-N	437.323	5.120	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc3ccccc23)cc1OC	409375111	FTKQVEMTYNBWEF-IMVGLAPISA-N	440.927	5.208	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cccc(F)c1	409389972	DBXKPCDDJQTDNS-JJFYIABZSA-N	448.324	7.929	50	40	IKGB	
CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1	15081964	PIHHHBMLIZXNDM-IBGZPJMESA-N	428.400	5.268	50	40	IKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1	33467008	RXLMDPCKVSZJKU-STZFKDTASA-N	431.542	5.248	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1	33680678	JXYHFHUIMHWQQV-UNOMPAQXSA-N	435.277	6.000	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59255410	JEBUJLYKIPKESM-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	59484044	PBVGPHIJUAPFBZ-BOPFTXTBSA-N	443.341	5.491	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1	209483596	LSVYSUSGPCONFN-WSDLNYQXSA-N	448.360	6.718	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408542768	NULJIQFHEFDLBP-MTJSOVHGSA-N	444.443	5.335	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2Br)cc1	408543251	OLHMZBGFMKNCPF-MTJSOVHGSA-N	448.316	6.099	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(C)cc1	408543392	QUAVUQILZSTYCY-NHDPSOOVSA-N	433.891	5.998	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408734695	IPAKAHYJQQIWLH-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br	408798717	WTIZLAPVHHVGRY-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(C)c1OCc1ccc(Br)cc1	408851034	UTKCQADBTBCMOI-FYJGNVAPSA-N	436.324	6.848	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc(Cl)cc1	409371322	VXDGCFKEIVVSPZ-NDENLUEZSA-N	435.911	5.023	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	409390260	DTTPRZQDCNNDNZ-XKZIYDEJSA-N	444.462	6.114	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(Cc2ccc(F)cc2)c2ccccc12	818718	AEPHVVKYXZLFCI-DEOSSOPVSA-N	441.506	5.280	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(CSc2ccc(Cl)cc2)cs1	8815941	BCAWOAZYDKEINC-IBGZPJMESA-N	428.966	5.509	50	40	IKGB	
CCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCCCCC)cc2)cc1	16638564	HPIZRUDABAHNCQ-FCIOZCPLSA-N	440.584	5.742	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl	408579580	ICIAUAUJZRVWAL-CXUHLZMHSA-N	432.709	7.429	50	40	IKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2c1	408785707	AZOAIFGURNIUGQ-GHRIWEEISA-N	427.891	6.043	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	408791992	GHWBESTVUGAMMJ-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)cc1C	408940045	TXFPQCOFSLHIQN-XYGWBWBKSA-N	432.523	6.581	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Cl)cc3)c2C)c1	408968345	VSXQSRLPPSHQKS-QFEZKATASA-N	438.915	5.080	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccc(Cl)cc1	408968391	WGAREZSTAHHRMC-IPPBACCNSA-N	444.897	5.426	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1	409005546	FBZXXFGMQUULIG-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2ccc(I)cc2)c(OC(C)C)c1	409373025	SGRFTUIICYGDDX-WQRHYEAKSA-N	447.316	5.930	50	40	IKGB	
CC(=O)Nc1ccc(SSc2ccc(NC(C)=O)c3cccnc23)c2ncccc12	1596779	LYGZMDVWKAIUNL-UHFFFAOYSA-N	434.546	5.499	50	40	IKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1	1953504	WVRLHKCHFQWOHX-MFKUBSTISA-N	445.320	5.066	50	40	IKGB	
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)C(c1ccccc1)c1ccccc1	8873680	KYEWNKSIAWHHGL-MBALSZOMSA-N	442.562	6.718	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2C)c1	8916727	GAAORUUMLYDODJ-OEAKJJBVSA-N	441.531	5.433	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	13092509	YEPYGLLIBQRXKK-CPNJWEJPSA-N	432.863	5.163	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3cccc(C#N)c3)ccc3ccccc23)cc1	20764994	LNNAFYBBFYLQPD-UXHLAJHPSA-N	449.510	5.453	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1	34688857	OCJJIGTUAIKHET-HMAPJEAMSA-N	426.472	5.072	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1	34838913	OGIISBVQWVZYBA-ZVHZXABRSA-N	431.473	5.152	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)COc2ccc(OCCCCCCCC)cc2)cc1	98045804	YMIHVJQNXQRXTG-NHFJDJAPSA-N	438.568	5.520	50	40	IKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1cccc(Cl)c1	408773113	GKAXBGPUFHTHFZ-RGEXLXHISA-N	449.406	7.805	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1	408793201	NWJILOUNVKBIHG-WOJGMQOQSA-N	434.879	5.179	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl	408793753	GJNDQVBKJAOVLG-MHWRWJLKSA-N	445.302	5.281	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	408794128	HONDRLYVHRRRGY-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408862112	FKJQOFAAVTYCER-OGLMXYFKSA-N	440.568	5.970	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1ccccc1F	408883080	TVRKOSKHAPSVOJ-CIAFOILYSA-N	448.925	6.323	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408886677	LFVDOGVMVUIMKP-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCc1ccccc1	408893944	HDKARKUQUWRQPE-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)cc1	409250516	QRLLWSNEDFDGNY-OEAKJJBVSA-N	437.546	5.297	50	40	IKGB	
N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409313488	PZWMILFOPHDERR-MRXNPFEDSA-N	433.758	5.375	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)N1CCCC1	409369105	CNDLLHCOZGWNCM-GZTJUZNOSA-N	445.744	5.211	50	40	IKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1sc2ccccc2c1Cl	1087134	DTANOCWHJLXEOH-VIFPVBQESA-N	443.739	5.090	50	40	IKGB	
Cc1ccsc1/C=N/NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12	2109921	OJCKFSXPDYLXMZ-JVWAILMASA-N	427.573	6.333	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	2702310	GWGORWDIUZNLIN-WPWMEQJKSA-N	425.488	5.073	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	14134317	VCZGXDIKPWOYCY-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1	15778059	MPVUFYDLPKLYJV-CCVNUDIWSA-N	445.309	5.844	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	33597810	OYGVQNQPAMDRLW-SXGWCWSVSA-N	447.844	5.583	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC	33853238	DMZYJVDIJGKDFB-ZROIWOOFSA-N	437.252	5.292	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(Cl)cc1	33921836	LBONIMFRUYLXNX-UNOMPAQXSA-N	429.907	6.177	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OC(C)C	34863752	IXKGJKGIIJWRKT-ZSOIEALJSA-N	437.252	5.290	50	40	IKGB	
Cc1c(/C=N/NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc2n1C	59678525	GFBFOYBCOYPYHW-STBIYBPSSA-N	440.591	6.110	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	209387840	XLQGCCNSPKUVEM-KAMYIIQDSA-N	437.839	5.453	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc3ccccc3c1)[C@H](C)CC(C)(C)N2C(C)C	223592453	WVLXEYQCJCSXQC-IIELIFRRSA-N	427.592	6.413	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1Cl	408567368	DFWXLEYTCVGRFZ-WQRHYEAKSA-N	447.897	6.397	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1	408707862	MHDINLMSQVOKGC-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408745231	KRHUKPIPLJVLBK-JLPGSUDCSA-N	434.495	5.973	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	408745515	NDDMVNDSGKBNED-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1cccc(Cl)c1	408764650	JSIRQQKLSXTSPT-SFQUDFHCSA-N	428.879	5.341	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)c1	408885618	CXHORRQFYMETDU-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(N3CCCCC3)cc2C)ccc1Br	408904169	FVOQXOTWNNMAKK-UCQKPKSFSA-N	429.362	5.212	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2cccc3ccccc23)cc1OCC	409311168	YKCKTENZGKBVPQ-UYRXBGFRSA-N	434.333	6.630	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(F)cc1	409393164	PINAJCSQWCHBNR-GRSHGNNSSA-N	425.862	6.660	50	40	IKGB	
O=C1c2ccccc2OC[C@@]1(Br)[C@@H](Br)c1ccc(Cl)cc1	3138103	PRYGAJKLOMAOTI-GOEBONIOSA-N	430.523	5.185	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(F)cc2)cs1	11859692	KXABGVOCWFOZSY-LFIBNONCSA-N	440.421	7.292	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	12555859	GWCGKAUALPNCGQ-KPKJPENVSA-N	444.230	5.413	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(C)=O)c1C	13757756	YWWBUEMMOPLTQI-LCYFTJDESA-N	443.575	5.597	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl	19877503	XJONZEZRJKNTBQ-LFIBNONCSA-N	428.294	6.086	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccccc1	408542209	JXUHDXRADXNFHA-QNGOZBTKSA-N	435.483	5.242	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1-c1ccccc1	408779422	WRBVDYBTEMAMQU-QNGOZBTKSA-N	429.350	7.824	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br	408793154	DGBJBVOSEIWMNJ-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C)cc1	408847174	PQIUINHNRUFXLZ-VYYCAZPPSA-N	448.906	5.746	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(F)c1	408967523	QRFXRVGPPWMIFD-KKMKTNMSSA-N	442.277	5.347	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(Br)c1	1822856	IIBFHTXLMWSFFC-NTEUORMPSA-N	440.322	5.586	50	40	IKGB	
N#CC(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(O)=N/c1nc(-c2cccs2)cs1	3207686	VAVSOSIYWABRIE-GXDHUFHOSA-N	448.485	6.235	50	40	IKGB	
C[C@H](Sc1c(Cl)cccc1Cl)C(=O)NN=C(c1ccccc1)c1ccccc1	8873878	DSYSOKQMNOHRED-HNNXBMFYSA-N	429.372	6.043	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2cccs2)[C@@H]1c1cccs1	19597250	PDLZOMBDWSRKFQ-KELOHDTKSA-N	443.597	5.471	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F	408535539	ZMRMIFKVOCXTDE-MSXFZWOLSA-N	443.263	5.411	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1F	408549440	SUVTVUOFUUWJQJ-XKZIYDEJSA-N	445.335	7.213	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	408550069	DERQZUPTJASOLW-UCQKPKSFSA-N	430.334	7.790	50	40	IKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)sc(C)c1C	408740680	DEMUDJKXUUODPT-MOSHPQCFSA-N	447.560	5.495	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1	408961958	WADKHWVDGVPFRM-KQWNVCNZSA-N	427.548	5.909	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)cc2c1	409186487	CRQITFJQGNCPNI-DICXZTSXSA-N	429.520	5.620	50	40	IKGB	
Cc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1	409226819	VSVWRZBVLRPFOP-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
Cc1c(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1Cl	409343161	CYEOXWBIERYLPP-IPPBACCNSA-N	448.929	5.353	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(Cc2cccc(F)c2)c2ccccc12	818714	CLDFJMWQRVLJBI-DEOSSOPVSA-N	441.506	5.280	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccccc1Br	1093284	OGRMIQZWQDTCLQ-YDZHTSKRSA-N	442.382	5.099	50	40	IKGB	
CCCNC(=O)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)cs1	3768104	AEXXFLRCWHRRIH-UHFFFAOYSA-N	443.960	5.435	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C(=O)O)c1C	9261760	VAXNSHACRVCKOQ-WOJGMQOQSA-N	433.895	5.300	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	12128487	FGNYFGNZYKYWJS-VUTHCHCSSA-N	436.511	5.462	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1	59336140	DIBNCJBLUDDURB-UYRXBGFRSA-N	437.326	6.427	50	40	IKGB	
CCCCCCCCCC[C@H](Br)C(=O)c1cc(C)cc(Br)c1O	100931363	OYZVODVGESQYGC-INIZCTEOSA-N	448.239	6.940	50	40	IKGB	
C/C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1	104203329	IEZRSNDJMOILSW-ZNTNEXAZSA-N	425.557	6.677	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccc([N+](=O)[O-])c1	107608318	KXJFWYBVFYGATL-HAHDFKILSA-N	429.479	6.815	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\C=C\c3ccccc3)o2)cc1	108036027	OVOHEXZDTJCEJF-ZVNFUWBTSA-N	439.515	5.695	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c1	408762232	JVBQVCRMFHEGIL-DEDYPNTBSA-N	447.332	5.882	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408779249	CKHYNWPINCIZDD-NHDPSOOVSA-N	449.348	5.613	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1C	408809458	RQXOCWITSZRYKR-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc2ncccc2c1	408966421	MRBQEJMDFPAGCK-UXHLAJHPSA-N	432.527	5.488	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)ccc1OC	409306412	ZUMMSVMSTARIDR-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)ccc1Cl	409310839	WXSRLOSPZGKAHB-RGEXLXHISA-N	427.887	6.994	50	40	IKGB	
Cc1c(/C=C(\C#N)c2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl	409365919	SJPBIRYGZNFQOP-UDWIEESQSA-N	426.903	6.444	50	40	IKGB	
COc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	1782488	VSFALMNRBBXBDC-VPDJWLQPSA-N	445.902	6.040	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)NC2CCCCC2)cc1	8781232	BZOBQAIBTRNSEE-ZMOGYAJESA-N	449.407	5.376	50	40	IKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC)cc3OCC)n2)cc1	9056828	AGEWKCCNEDNUHP-PXLXIMEGSA-N	432.589	7.014	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1	13239492	VMKDXLXXZSSNLE-VULFUBBASA-N	448.979	5.289	50	40	IKGB	
N#C/C(=C\c1oc2ccc(Br)cc2c1Cl)C(=O)Nc1ccc(Cl)cc1	16750573	QBXWYYYDWMMESS-JXMROGBWSA-N	436.092	6.048	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCCOc1ccc([C@@H](C)CC)cc1	26580582	UXJRHKCIYGRLBZ-HLELUFFISA-N	441.571	7.121	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	28215905	XUJBGTWYZWPHAP-VULFUBBASA-N	435.593	5.103	50	40	IKGB	
CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1	33385310	AOXDSRNRBHURAC-FSJBWODESA-N	433.445	5.036	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Sc1nc2ccccc2s1	34705842	WOLITAOCGHRRCO-DEDYPNTBSA-N	445.525	6.440	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc2ccccc12	39884790	AQALADSLDNSVSM-FOWTUZBSSA-N	443.846	6.207	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)o2)cc1	41120790	YYGRYTFUQVCEFI-FOWTUZBSSA-N	429.457	5.538	50	40	IKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	58916759	NUEDVRIXTGVJRK-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	59535945	VRDGXWPDWVAROX-XMHGGMMESA-N	441.918	5.897	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(F)cc1	108192659	YASQPPMPTRIEOP-XKZIYDEJSA-N	444.462	6.114	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118924144	VOFZBWVFCCOKSK-OJWLREPNSA-N	441.704	7.052	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc2ncccc2c1	148837582	MAIRPPAYRWIHTK-BKUYFWCQSA-N	428.333	6.469	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12	245380907	TYGIHYJGPZHSCL-NXBJLNSTSA-N	431.539	5.403	50	40	IKGB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	408542581	JVJJHWDPXKDVNU-FOKLQQMPSA-N	437.587	6.720	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1	408727995	YZGTVDLKAUEXQT-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408734750	JCNGKZUHUGZSJC-RCCKNPSSSA-N	438.914	6.618	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1	408744215	JQQLMYNZZUQVGZ-NDENLUEZSA-N	432.907	5.782	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1	408867846	OCVRUODHYXDZDR-FYJGNVAPSA-N	435.354	6.692	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	409044459	CKXIALZQTMEOQO-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1cccc(Cl)c1	409228476	ZBAVZHPYTHYGDT-UDWIEESQSA-N	429.882	6.028	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	409236075	RPJYEDPZRUQFRT-WBRURWICSA-N	433.939	5.541	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1	409258250	SFDARURSQHKGFQ-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl	409369055	ZMPHXHZIURTPAU-FQEVSTJZSA-N	441.984	5.270	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC	409370906	VHHBBKOVALPRAV-YNUIFBACSA-N	434.927	5.534	50	40	IKGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)C1	8400255	QENMGFOYQMOXLS-JHBQNGEISA-N	443.591	6.255	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	8860979	ASUZAJDUZPDOGZ-XAWVIIIXSA-N	431.492	5.406	50	40	IKGB	
N#CC1=CN(Cc2ccccc2)C=C(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)C1	9086827	KHBNJASFXGAGLT-VFLNYLIXSA-N	449.539	5.156	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	13425255	GGVCFWHINATBBN-NTEUORMPSA-N	447.277	5.314	50	40	IKGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1	20132733	FUZRULBQWPJKBV-HNNXBMFYSA-N	437.334	5.517	50	40	IKGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1	20133450	HVOWEDJMKCVQQM-QGZVFWFLSA-N	437.334	5.372	50	40	IKGB	
COc1ccc(Cl)cc1C(=O)N/N=C(/C)c1cccc(NC(=O)c2ccccc2C)c1	32573588	UUUNPNYYHDTISQ-YUMHPJSZSA-N	435.911	5.063	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(F)cc1	33410134	NQGIPTHEHVXUOI-BKUYFWCQSA-N	430.479	5.576	50	40	IKGB	
C[C@]12CC[C@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	43677065	FRPJXPJMRWBBIH-JSSYZSAGSA-N	440.411	5.182	50	40	IKGB	in-man
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1[N+](=O)[O-]	58871414	QMHBJKJHRIHDAM-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1	59535883	GSFUWKAOQCQBHU-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1F	109040763	YBEPXIMXSWEABE-XFXZXTDPSA-N	434.717	7.050	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1	408718579	AYWLSTCUFVBESO-FNUFAGEZSA-N	448.906	5.121	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408735277	PLVQGLOMQWGXJZ-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1	408747431	NVEMTWAHTJCTJS-JCMHNJIXSA-N	439.946	5.875	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl	408796234	ONRZGVTVBPDMCD-LZYBPNLTSA-N	447.318	5.098	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(Cl)cc2)c1	408800594	QACIVTBCUIADGC-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	408811179	MFQPUEKPMQWOJS-XSFVSMFZSA-N	432.907	5.782	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)c1	408882009	OQUMGSBUGHRSJB-RCCKNPSSSA-N	431.333	5.894	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC	408886045	HIRSLIGJGPTCFI-RIYZIHGNSA-N	449.732	5.364	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1	408898831	NCZUJOJVUROBJM-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl	408979626	NKOACWQOFUMHPL-WNFNFYEPSA-N	440.330	5.005	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Br)c2)cc1Cl	408984430	QWVQKGMWXSZVAE-WCIBSUBMSA-N	426.097	5.316	50	40	IKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)cc1	409233387	VPIBAVXJRDBJJL-DEDYPNTBSA-N	429.882	6.028	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)c(Br)c1	409241941	SWLARPAHZQOOIC-AFUMVMLFSA-N	433.305	5.935	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21	409365475	QVDMNOGOCUGYPO-CCVNUDIWSA-N	430.939	5.214	50	40	IKGB	
COc1cccc2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc(C)nc12	871166	NODLLMJWTCXKJI-AUEPDCJTSA-N	434.348	5.101	50	40	IKGB	
O=C(c1ccccc1)c1nc2ccc(Cl)cc2cc1C(Br)Br	1628644	LBZVXXFIWDUKTA-UHFFFAOYSA-N	439.534	5.908	50	40	IKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(C)o3)c3ccccc3n2)c1	2109711	XUULAUSMGNCAJK-WPWMEQJKSA-N	427.504	5.746	50	40	IKGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CSc2nc3ccccc3s2)cc1	3235776	NYFZWMZCZWDDCK-WYMPLXKRSA-N	447.541	5.081	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)ccc1OC(C)=O	9075502	KMSUDQLINDLXOV-MTJSOVHGSA-N	432.545	6.007	50	40	IKGB	
Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	9445817	DXWRZFBAAIYIRH-GXDHUFHOSA-N	441.310	5.766	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc2cccnc12	33339685	UBLNVJWTIXMGGL-PTNGSMBKSA-N	434.282	6.347	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1	34738132	QRLXFUREMGDUPJ-UNOMPAQXSA-N	440.459	5.431	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(Cl)c1	39884572	YOQOMXSQESQYGA-GXDHUFHOSA-N	427.685	5.908	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1	58985716	JYZLCCQJZAHOIX-OGLMXYFKSA-N	433.467	5.602	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	98001430	XRLHCVHJIJNGRE-XHLNEMQHSA-N	446.591	6.829	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccccc2)cc1	107676451	FTODZONKEYSAGX-XYGWBWBKSA-N	449.510	6.646	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	209399620	CBPKVFHVVWYUOR-CIAFOILYSA-N	434.333	6.409	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc21	223513250	STWOIDZDWJPNRK-NHDPSOOVSA-N	448.010	6.913	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408796457	OIESFDBYSPWRDM-UDWIEESQSA-N	447.454	5.015	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1	408807341	HGTOODDSKLOFGR-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2cccc3ccccc23)cc1	408890874	HSVLROOGIGZSJI-OQKWZONESA-N	432.479	5.913	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc2ccccc12	408898877	NGOIJSLGABGISV-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
O=C(c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccc(Cl)c(Cl)c1	1593672	ULEIMJGIXNHCHX-KBPBESRZSA-N	436.958	6.076	50	40	IKGB	
CCOC1=CC2=C(C=O)C[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	31647550	GAVOLJDFJHUYGO-CPYOJODISA-N	442.596	5.138	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)C1c2ccccc2Oc2ccccc21	57476910	ZHJNFTWHWIVLDR-JFLMPSFJSA-N	442.906	5.222	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	208466357	DMOZEZFITPAWFL-RPPGKUMJSA-N	442.346	6.135	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1	408796367	XZHLSTASNRVSNH-DEDYPNTBSA-N	446.890	5.251	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408796948	PWKHOAWUBDGQRO-MDWZMJQESA-N	431.706	6.761	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)cc1	408816195	REYKTFPREKHOHW-GZTJUZNOSA-N	428.916	5.470	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cccc1[N+](=O)[O-]	408858209	NNKPHJKLABHEPN-JVWAILMASA-N	439.471	5.399	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408869911	SUOIQBAQVFWQDD-UMAAQWDISA-N	446.978	6.349	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(C)cc1	408973090	YNUPHTRDIXDNPR-JFLMPSFJSA-N	444.487	5.101	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)o1	409021965	AZSCONOGYJGRJB-KSEXSDGBSA-N	439.811	5.027	50	40	IKGB	
C=CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cccc1OC	409043551	MXOWABGRWIIDTD-MTDXEUNCSA-N	437.499	5.239	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCCCc1ccccc1	409240557	QMLMWRLTZCVWQI-QJOMJCCJSA-N	430.935	5.575	50	40	IKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(C)=O)cc1OC	2313132	YKGQHVVMIIZRCG-RVDMUPIBSA-N	439.924	5.660	50	40	IKGB	
CCCCCCOc1ccc(OCCn2cc(/C=N/NC(=O)OC)c3ccccc32)cc1	4091889	ZZKZWTVIUSPNGI-NLRVBDNBSA-N	437.540	5.369	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(-n2ccnc2)cc1	12562356	COGOYTZFBPRUAR-OGLMXYFKSA-N	437.528	5.303	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	34856528	BSPGQWUVQAIHHH-NVMNQCDNSA-N	425.271	6.545	50	40	IKGB	
O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C/c1ccco1	57061325	LKWBSDOCWMWFJX-ISAGNRBTSA-N	444.579	5.125	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(F)c2)c2ccccc12	59255348	AIAGPTJVLCXECE-XDHOZWIPSA-N	443.909	6.336	50	40	IKGB	
O=C(Nc1ccc(Sc2ccc(NC(=O)C(Cl)Cl)cc2)cc1)C(Cl)Cl	59662097	AMOQXZHSDRLODO-UHFFFAOYSA-N	438.163	5.322	50	40	IKGB	
CCCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC(=O)O	100053707	UXHXSKUOVZUHBJ-IRXDYDNUSA-N	442.276	7.079	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1ccc(C(=O)O)cc1	408544519	WSRNNSPRYRVIJR-JMIUGGIZSA-N	433.847	5.380	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1C#N	408742445	AJPGWMZYQYZALE-UCQKPKSFSA-N	437.499	5.390	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)c2C)cc1	408744735	GZCNYUKARFFSID-QNGOZBTKSA-N	429.520	5.437	50	40	IKGB	
Cc1ccc2c(c1)c(/C=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)c(C)n2C	409037369	NFQSQYHQINSVDZ-RHANQZHGSA-N	432.527	5.774	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc2ccccc12	409328165	ZUYLZCOGARRJAI-XMHGGMMESA-N	442.927	7.617	50	40	IKGB	
Cc1n[nH]c2c1[C@H](c1ccc(-c3c(Cl)cc(Cl)cc3Cl)s1)C(C#N)=C(N)O2	703641	AZWCNSIUQIPTCD-HNNXBMFYSA-N	437.739	5.625	50	40	IKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1	985825	PWICNBLOLUVVOO-LJQANCHMSA-N	449.352	5.256	50	40	IKGB	
CCCCC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1	3099308	KPGMALVRCOVAKJ-OVVQPSECSA-N	429.520	5.158	50	40	IKGB	
C=CCC[C@]1(C)/C(=N/NC(N)=O)CC[C@@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21	5230431	FKDQTWHEENTAQA-PHRAXBRWSA-N	443.720	7.298	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1	9202012	DINRNOXSGQKJQW-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	14134471	YOJUBRDZUKIZFW-LGJNPRDNSA-N	447.749	5.919	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1	33782996	FNTZYSKOWREQHT-WQRHYEAKSA-N	434.326	6.821	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)C)c(C)n1-c1ccc(I)cc1	35226993	KQOXMLGHKSNIAW-WJDWOHSUSA-N	432.305	5.221	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	59255374	XKPINLLWUOALRY-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
COc1ccccc1OC[C@@H](CCl)S[C@H](CCl)COc1ccccc1OC	100940368	HUAQWOFZRSLXFQ-HZPDHXFCSA-N	431.381	5.110	50	40	IKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1	104085820	PLLRXLIIPSUGDW-NRFANRHFSA-N	433.533	5.538	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2C(C)=CC1(C)C	208515628	AKWKMAXESUGSML-YVLHZVERSA-N	440.374	6.561	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1	408857288	UCBYXOIZIXPCCE-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
CC[C@@H](C)Oc1c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cccc1OC	408904295	HPPGHXBCOMCUAS-JCRYTKJOSA-N	434.334	5.099	50	40	IKGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NN(c1ccccc1)c1ccccc1	408998288	LFOOVBQXEWWSHV-AREMUKBSSA-N	435.527	5.417	50	40	IKGB	
Cc1c(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cccc1[N+](=O)[O-]	409164274	FXHHRPJFGFUIEN-VULFUBBASA-N	439.427	5.827	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1	409391253	IJRGOWWHQVAXMM-COEJQBHMSA-N	434.539	5.856	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1	4196371	IKZUMBBPUNYAHO-YBFXNURJSA-N	438.296	6.240	50	40	IKGB	
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)o1	6407997	CFQYFZZCLOJNHE-MDWZMJQESA-N	434.839	5.766	50	40	IKGB	
CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1	9008796	PQUGGZBRNQSTBR-HEHNFIMWSA-N	445.588	6.832	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1C	9693559	AIPCGEZOISOMNO-INIZCTEOSA-N	444.387	5.830	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O	12436451	HUIZMHLGQXOBFE-CULPDNDYSA-N	426.398	5.519	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	40853191	FQYBFODCZWDCJJ-QGOAFFKASA-N	446.469	6.219	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(Cl)c1	59117175	JJURMPNZMQMRGS-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(F)cc1	59445308	JEUWQPUHBUXBBE-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408539525	WYMJCADJVPLCLP-CAPFRKAQSA-N	440.971	6.634	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408579944	LTDHHWIQETXQTR-PXLXIMEGSA-N	433.529	5.534	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1	408733850	BESSGTFMSZZKMN-XSFVSMFZSA-N	433.939	6.000	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1	408754759	RLDLKARXLXDWKZ-SFQUDFHCSA-N	437.282	5.758	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(Cl)cc1	408784790	SUCUYDHBWGEBSQ-DEDYPNTBSA-N	433.939	6.080	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408805930	CODUMSIXESMBKI-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1cccc(F)c1	408871426	ZMZIVEIDGGNMPL-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408882437	NCXQLCVIRKXPNO-NTEUORMPSA-N	449.226	5.026	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1	408894050	IMNMQYQMVBNWKY-XDHOZWIPSA-N	431.423	5.167	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl	408952726	VPQLUWCDRQKJIP-QNEYSMKTSA-N	449.732	5.790	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OCC	409326205	IEMPORCLRBGNSR-IMRQLAEWSA-N	432.520	5.217	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C)c1	1409218	UTUZRUUMGBEBQC-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
O=C(Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2)C(Cl)Cl	1710704	WUBVLUXSJWJAAV-UHFFFAOYSA-N	449.957	5.525	50	40	IKGB	
C=CCn1c(-c2cccc(Br)c2)cs/c1=N\NC(=O)c1cccc(Cl)c1	8432961	HJOZTUDTKSCAFJ-NMWGTECJSA-N	448.773	5.064	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCCOc1ccc(C(C)(C)C)cc1	13881197	UGNFBMIYCSOBQS-NBVRZTHBSA-N	427.928	5.565	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1	14151721	YECRAFZQPCMZAO-XNTDXEJSSA-N	447.947	6.266	50	40	IKGB	
Cc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3NC(=O)CCl)n2)cc1	16956859	VUMQLSDUJDFSSI-UHFFFAOYSA-N	443.359	5.802	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)ccc1Cl	32581091	AVPWSIYJDFZTCE-VYYCAZPPSA-N	431.923	5.181	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)o2)cc1	41120781	LQIXFZUGJARARO-GHRIWEEISA-N	443.484	5.928	50	40	IKGB	
CN(C)/C=N/C1=C(C#N)[C@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O1	100911503	NVPBQVIPMUOXAZ-ODDBZWQPSA-N	432.321	5.452	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1cccc2ccccc12	107618363	KBZPPFKRTWYOSN-RCCKNPSSSA-N	437.593	7.514	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408792660	BURZZRCKARGEOF-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCC(C)C	408803434	OUTYOXSAPGUNNP-LICLKQGHSA-N	428.916	5.328	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1C	408844942	JDOHEYPCNKPWCQ-IWIPYMOSSA-N	436.559	5.458	50	40	IKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(C(C)(C)C)c1O	408858250	XZLGBZVDVDMASX-MOSHPQCFSA-N	443.591	5.734	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408865698	DLOJMVFBVAJXIT-OVVQPSECSA-N	444.578	7.210	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Cl)c1	408867597	LOHQZNQSMQGBRH-YBFXNURJSA-N	439.317	6.577	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1	408886372	GNHOLDFTAPZVNL-CIAFOILYSA-N	427.460	5.336	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1	408897691	SOKFHFCEUYLHQX-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(Cl)c1	949386	ILTQCJRZWHSATR-XYOKQWHBSA-N	428.231	5.707	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc2ccccc2c1	2303347	RVNHSZXNLKYGDC-FRKPEAEDSA-N	441.270	5.156	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc1	9282496	UNRAGQCDHVLPMD-HSZRJFAPSA-N	434.499	5.361	50	40	IKGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cccc(Cl)c1)oc1ccccc12	15133738	LLAFBYBDHSBDTF-MZJWZYIUSA-N	449.894	5.383	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1F	35080218	JKQHWDFFZTVYOZ-BOPFTXTBSA-N	426.260	6.370	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl)[C@@H](C)CC(C)(C)N2C	208210034	HFRMIGWWIVISPH-AQDQEMTMSA-N	448.394	5.553	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408549899	BDRJHQBRWRGWSV-RIYZIHGNSA-N	441.940	5.105	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1C	408773156	GZVYYZUIYXPQAB-XKZIYDEJSA-N	426.472	5.126	50	40	IKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1	409188333	GQSNNKQRRIMAMQ-BRJLIKDPSA-N	445.302	5.583	50	40	IKGB	
Cc1cc(/C=C/C#N)cc([N+](=O)[O-])c1Nc1nc(Nc2ccc(C#N)cc2)nc2ccccc12	1777699069	MNZKGXAFXCQSCG-SNAWJCMRSA-N	447.458	5.742	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccccc2)cs1	1306506	FDPDXJOQRVBQEY-SDNWHVSQSA-N	439.418	5.912	50	40	IKGB	
Cc1cc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c2ccccc2n1	2317509	UXNHKFSOONXLNU-JFLMPSFJSA-N	429.907	5.540	50	40	IKGB	
Cc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1	8755024	RHACWHDJLRLIOW-UHFFFAOYSA-N	426.904	5.288	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC3=C2C(=O)CCC3)o1	13174396	ZILMRVKMKAOVHC-HSZRJFAPSA-N	447.560	5.006	50	40	IKGB	
Cc1ccccc1CS/C(Nc1c(C)cccc1C)=C(\C#N)S(=O)(=O)c1ccccc1	20325001	AUKBLZOBBNUCJW-WJTDDFOZSA-N	448.613	6.124	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	35002856	GWGORWDIUZNLIN-PKAZHMFMSA-N	425.488	5.073	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(C(=O)O)cc1	96466297	FDHCHOLIHQDSHH-JCMHNJIXSA-N	426.472	5.072	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	208466694	SMXUWPWYLUSXFB-MZJWZYIUSA-N	433.939	5.594	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1Cl	408579672	JKGVWDYZSYMQJG-LICLKQGHSA-N	425.271	6.545	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F	408581913	ZWRDSBGSQUBNGH-YBFXNURJSA-N	442.317	7.174	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Br)c1	408586099	LCPQVIQFKYFELM-MFOYZWKCSA-N	446.175	7.228	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408590792	QMJRHXHUDXOUOQ-CVKSISIWSA-N	426.476	5.228	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC	408726118	PXBBXGUMBBNQSC-ZROIWOOFSA-N	449.732	5.446	50	40	IKGB	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408727709	XCWBSUHTLAITRC-RDRPBHBLSA-N	434.474	5.596	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408808191	FDVAGIFJDOADAU-NTEUORMPSA-N	441.270	5.806	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1	408810872	JSTWMXBUPNZDQD-GZTJUZNOSA-N	449.850	5.078	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408947143	ANJNLZHYUGUHCD-CVKSISIWSA-N	427.331	5.655	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccccc3)c3ccccc23)c1C	409217371	BTAZWMIFONIETE-XLNRJJMWSA-N	435.527	5.883	50	40	IKGB	
Cc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	409255351	JQXSCORVOJNPMS-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
CCC1=C(C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(C(F)(F)F)cc1	2373629	JIYUMBLSVBKKAE-UHFFFAOYSA-N	443.313	6.014	50	40	IKGB	
Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	2743706	NTRIYGAYFOYEMA-XMMPIXPASA-N	448.950	5.659	50	40	IKGB	
COc1ccc2nc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1	9381813	PGNWYITTXNYICY-UHFFFAOYSA-N	432.530	5.339	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1Br	20760695	ZHZHQSDUDGDESM-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nn(-c2ccccc2)c(N)c1C#N	33567683	IIMFAUFZUDSKCE-XNTDXEJSSA-N	446.297	5.957	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)cc1Cl	59272204	NPWMVHLKIMESNN-YVLHZVERSA-N	445.346	5.547	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=C[C@@H](Br)[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	77284759	XBASGDGJPXJCNL-XMVYKLQCSA-N	437.418	5.460	50	40	IKGB	in-vitro
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	100860042	LWVHYAIZBKWHNC-LGMDPLHJSA-N	428.388	7.436	50	40	IKGB	
C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1	108312842	KHSBPMMADOJRRE-TWKHWXDSSA-N	435.527	5.570	50	40	IKGB	
Br[C@H]1C=C(c2ccccc2)[C@H]2C[C@@H]1C(c1ccccc1)=C[C@@H]2Br	169795583	GZMSWWLYOVNSKV-CGXNFDGLSA-N	430.183	6.330	50	40	IKGB	
C/C(=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1c(C)cc(C)cc1C	199413095	KTEJRWQZGJUFSG-XAYXJRQQSA-N	427.548	5.597	50	40	IKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4cccnc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751399	MGKBNQFDXJADTC-MHCMYGDOSA-N	438.531	5.071	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1	408783406	LAVGFLSQWUNIJJ-BWAHOGKJSA-N	446.550	6.835	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1	408822700	CSCPCERJLVYHBS-HAVVHWLPSA-N	426.516	5.909	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1	408858217	QTRINISAGLFFOA-BOPFTXTBSA-N	449.894	5.000	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Cl)cc1C	408871028	VCEKOZAEQZMUJK-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409229231	LVJIBVFIQWFIKU-NDENLUEZSA-N	447.416	5.702	50	40	IKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccccc1	409310862	XAOLALBZELNFTH-LTGZKZEYSA-N	441.508	5.680	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(I)cc1	409368522	AEKIMHCEGHZJTF-PTNGSMBKSA-N	431.660	6.269	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(Cl)cc1	3252286	DLDACLUGRWAEQO-SSZFMOIBSA-N	430.920	5.800	50	40	IKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C1CCN(Cc2ccc(Cl)cc2)CC1	8780753	JNCQAJPWRKQRRX-MTDXEUNCSA-N	447.966	5.495	50	40	IKGB	
Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2)c1	9113265	OLNHPDCZRSMLLM-TURZUDJPSA-N	430.548	5.730	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1	33959716	OSWUZYMIHBEHBR-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	59336634	BJALTZRIEOTSEE-JYRVWZFOSA-N	439.726	5.990	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)N=C3CCCC(O)=C32)cc1	102622112	HTFAUWMQMHVTQL-XMMPIXPASA-N	443.572	5.945	50	40	IKGB	
N#C/C(C(=O)CSc1nnc(-c2ccccc2)o1)=C1/Nc2cc(Cl)ccc2S1	104583022	NNEAVBPLGRXZBC-QGOAFFKASA-N	426.910	5.004	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1	408582972	QDIMGQMBQMBLFG-CJLVFECKSA-N	425.915	7.145	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc([N+](=O)[O-])cc1	408782241	GBINHXKQEDRXEX-DEDYPNTBSA-N	444.491	5.335	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1cccc(F)c1	408879787	FNFFMVQPPJCXIH-YBFXNURJSA-N	434.898	6.014	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C)c4)cc3)cc2c1	409187542	RRZNOURZKLBLNG-YUMHPJSZSA-N	428.488	5.483	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1	409232833	BTIXPNFEKCKQMJ-BOPFTXTBSA-N	427.401	5.798	50	40	IKGB	
CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1	1831529	JOZGCPHWRZVQDA-RONKKBLUSA-N	447.608	5.170	50	40	IKGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)c1O	3251412	HKIPZYRHLLZBBN-LQKURTRISA-N	446.547	5.566	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1	12284880	HTEZPLYNTUMAHM-WJDWOHSUSA-N	425.315	6.724	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(F)cc1	14151855	YPFONKUZMTXXLU-LDADJPATSA-N	444.535	5.591	50	40	IKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@@H]([C@H]3[C@@]1(Cl)C2(Cl)Cl)[C@H](Br)C4	104105629	ZCXWLYHFCQNFFL-UQGJSVSASA-N	445.826	5.868	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc2c(c1)CCC2	104224750	ZNCMMMLTXCASTI-OLFWJLLRSA-N	426.689	7.887	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1OCc1ccccc1	408542873	LLWGVRHWIBRJQC-IWIPYMOSSA-N	449.554	6.560	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)cc(Cl)c1	408862653	LEAMTLCVJDCJNQ-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1ccccc1Cl	409230041	BNPYYENMPLCBLH-DEDYPNTBSA-N	429.882	6.028	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1	409368584	CXGJOQRPVNEZDN-NBVRZTHBSA-N	439.296	6.297	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1	1738229	HXINKTDOTMMLSI-CABCVRRESA-N	447.554	5.187	50	40	IKGB	
CCn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccc(Cl)cc1	1818848	WGLJNDHZKSKFGX-AFUMVMLFSA-N	449.967	5.014	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(F)c1	59336302	PQQACKVHBJPISP-YBEGLDIGSA-N	428.294	6.086	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Br	108231913	LPHSELZVBNNXAA-SDNWHVSQSA-N	427.685	5.908	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C#N)(O[Si](C)(C)C)[C@@]4(C)CC[C@@H]32)C1	195778803	VSNTYDAJMLTELQ-WSLKUVFHSA-N	429.677	5.995	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1	408541094	DRTOYCNNCBZEQT-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	408567004	JWLRNWJAXGJPEH-QQXSKIMKSA-N	444.494	6.605	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	408734888	LCKZJUGPRQRYEL-RVDMUPIBSA-N	441.712	6.217	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(Br)c1	408809528	HSWJQLPHZQTFRT-OVCLIPMQSA-N	433.733	5.744	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408831773	HIHNUJUQBGXNPX-PXLXIMEGSA-N	442.515	5.527	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1	409049689	XTIYTWRQXSYJMP-LDADJPATSA-N	433.851	5.330	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1	409222065	ADALEFRSAZXLBZ-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	409243258	RGYUEZKULHYTKF-PLRJNAJWSA-N	439.603	6.048	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1	409243495	WWUYYJZYCRKHBP-HYARGMPZSA-N	439.490	5.773	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1	4047938	GJPGCRUGJIUNHI-BWAHOGKJSA-N	441.534	6.697	50	40	IKGB	
CC(=O)N(/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccccc2)c2cc(Cl)ccc2n1	8818365	FAQFODYRITYHHT-ZMOGYAJESA-N	434.839	5.443	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1	9311221	UGMXHOLUUQVXMB-LFVJCYFKSA-N	444.538	5.978	50	40	IKGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	20898872	YORJAZJSFUBWRE-UHFFFAOYSA-N	427.694	5.345	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	58871528	RFMUTGCAJMSFAD-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CSc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	58915992	ZKDZJHKGHIOPAV-ZVHZXABRSA-N	426.994	6.118	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(C(C)C)cc1	107823783	FZAHWYVROBHCPN-XKZIYDEJSA-N	427.504	5.461	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)c1ccc(Cl)cc1	408580831	RWXMEGNFBFYMPX-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
Cc1c(Br)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1Br	408585664	GXJMIJPBPVBORX-QCDXTXTGSA-N	445.969	6.891	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1F	408745957	BLEOYPLCDPHDHB-ATVHPVEESA-N	438.300	5.541	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)n1	408818428	OCQDABFGJJQDAG-WOJGMQOQSA-N	449.341	6.057	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408852297	SAGARDOXXJWHBQ-RGVLZGJSSA-N	442.773	7.907	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1	408857623	OXZZNIYMPUBEDL-OWBHPGMISA-N	426.701	5.439	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1	408892510	BTEMVCJCPLJCLL-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)cc(C)c1Br	409204142	CCZHATPYXQVSSM-FSJBWODESA-N	444.398	5.228	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c1	409264940	LVPRDYISXALDPZ-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=O)N1	409368364	ZSHHIWXBKGLGSV-LJQANCHMSA-N	430.335	5.750	50	40	IKGB	
O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)N/N=C/c1ccc(O)cc1	727147	SHOSOWOFSLZHQY-DHRITJCHSA-N	426.303	5.347	50	40	IKGB	
COc1ccccc1N(C(=O)CCCl)[C@@H](C#N)c1ccccc1OCc1ccccc1	2191116	OYLLZKDJQICUDV-QFIPXVFZSA-N	434.923	5.501	50	40	IKGB	
O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NN(c1ccccc1)c1ccccc1	3010017	GAJKBCDVMSBKDM-UHFFFAOYSA-N	441.531	5.103	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C	9263080	JIMHEYAKURQMJQ-QGOAFFKASA-N	433.895	5.080	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1	12590818	KZBJQINFZREHST-XMHGGMMESA-N	426.497	5.978	50	40	IKGB	
Cc1ccc(C(=O)[C@@H](OC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1	13098496	CLDNAPYSMJWTGF-OXIKZWMZSA-N	438.527	5.444	50	40	IKGB	
CCOC(=O)C1=C(C)NC(Sc2ccc(Cl)cc2)=C(C=O)[C@H]1c1ccc(Cl)cc1	20405286	DDCYSJCRTAQJHE-HXUWFJFHSA-N	448.371	5.720	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)Sc1nc2ccccc2s1	33618893	RNRZLDGYPPQCGD-GXDHUFHOSA-N	438.917	6.565	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1O	59117532	STFRDCODFKXXEK-ONNFQVAWSA-N	442.096	5.016	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Cl)[C@@]4(Cl)CCCC[C@]4(C)[C@H]3CC[C@@]21C	118928770	XGSMUUAKGGNLHB-MYMLUCEJSA-N	441.571	9.077	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1	223170921	FBJHSERHQTWHIA-BOPFTXTBSA-N	440.330	5.955	50	40	IKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	408553000	MKZAETDONANOSB-OQLLNIDSSA-N	425.941	5.485	50	40	IKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl	408598441	ALFFWQULGROBPJ-LDADJPATSA-N	447.947	6.461	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)c(Cl)c1	408739707	DTSMZOFAWLNODT-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1	408743183	FDNUQKVDEOJXTD-KAMYIIQDSA-N	427.685	5.908	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2cccc(C)c2)c1	408805845	HXJGYKGPIYUNQZ-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2cccc([N+](=O)[O-])c2)c1	408812606	NEXBYJSJLUCTND-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C	408817580	VVUCZSOOWDLRCC-DEDYPNTBSA-N	433.939	5.919	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc(C)c(C)c1	408865782	FPBQEDBWUAZOCG-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1	409073077	UUABESRDSQIMBQ-UDWIEESQSA-N	434.289	5.790	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCC	409186869	IWUAZKLVLICRIJ-QQXSKIMKSA-N	436.508	5.121	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	409255027	KFIFTLLAPWUQEA-OCSSWDANSA-N	441.550	5.819	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2)c1	1439529	GDSKFLSEHYLZBP-CPNJWEJPSA-N	446.890	5.251	50	40	IKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3ccccc3n2)cc1	2761726	OXHWBRZUDNXOFS-LQKURTRISA-N	437.499	5.347	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O	2846938	QEOLMUPWQMKOPP-VGOFMYFVSA-N	436.689	5.029	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C/C(=N\NC(N)=O)[C@]12C	4293143	OKIFINTYHZKNNY-HOLSTNPQSA-N	445.648	5.259	50	40	IKGB	
CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1	9635700	QDJJMQVEGATTQH-VOHAGXJVSA-N	430.548	5.812	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1	9972654	HTDFETSBALQOLL-ZCQLHAAUSA-N	428.916	5.470	50	40	IKGB	
COc1ccc2cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c(Cl)cc2c1	15018688	YAGQAXWXBBZEKA-MZJWZYIUSA-N	428.875	6.165	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(C#N)c2)c(C)c1	20195002	GXYSRSCRHBDMKR-RWPZCVJISA-N	431.923	5.100	50	40	IKGB	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1	36638790	UYLXQCCLBMUWOX-QPEQYQDCSA-N	428.267	5.251	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](C)[C@@H]4C(C)=O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1	118918133	PYBGGSNABBXWHO-HVIVOFIDSA-N	443.455	5.991	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)sc(N)c1C#N	408723796	OJTCQPFXFBEEQB-CCVNUDIWSA-N	440.528	5.007	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1	408780147	TVIUDUDIIHZFPO-MTJSOVHGSA-N	449.348	5.613	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408799338	YPQRITYPXUFPTE-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccccc1	408803212	MNDXMDGFWKLELA-LTGZKZEYSA-N	438.914	6.618	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1	408905038	SGTLSKRGCYUHBB-QFEZKATASA-N	430.464	5.075	50	40	IKGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1	409022475	PNDNALBRYCRWJK-QRVIBDJDSA-N	445.997	5.148	50	40	IKGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1	409109722	JVDZFJXXDFUJMC-ZXVVBBHZSA-N	431.561	5.270	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	409365702	VZRATYQHNLRTJA-LQKURTRISA-N	429.951	5.598	50	40	IKGB	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)s1	2109926	SWJLAEBBJMMSDT-OGLMXYFKSA-N	441.600	6.587	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	2201516	ORUXTMQIUNDURC-OGLMXYFKSA-N	445.950	6.431	50	40	IKGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)cc1	2302374	UNRWNVRHHIQJEG-IWIPYMOSSA-N	448.526	5.751	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)cc1	3117792	YAWWKZNIYQXOQT-QHCPKHFHSA-N	445.632	6.295	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057407	STMTVYFVSQIQRR-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	28216539	CTCQNNSHFXMMQJ-IXBOPPFXSA-N	429.948	5.518	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3cn(Cc4ccccc4Cl)c4ccccc34)[nH]c2cc1C	107689990	KHZKIVSGVLZUFL-DEDYPNTBSA-N	436.946	6.900	50	40	IKGB	
CCOc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1	408552506	JCJYPDHEUKJGHV-GHRIWEEISA-N	443.528	5.703	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br	408763165	NVZJYEZNSUIHDG-XYOKQWHBSA-N	440.124	5.700	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1C	408787777	GCCRMIMJGMVYNA-WGOQTCKBSA-N	432.523	6.581	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl	408811857	RWPKSQFMYFPDDG-LTGZKZEYSA-N	438.914	6.618	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	408852304	SEUOZAXVXNXHDH-QNGOZBTKSA-N	439.946	6.506	50	40	IKGB	
O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccc(CSCc2ccccc2)cc1	408994426	HMDKJUNJHVFYMO-YZSQISJMSA-N	433.577	5.467	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cccc2ccccc12	408996773	NCCWEPDBEZMBQZ-JFLMPSFJSA-N	431.923	5.430	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(O)cc1	409048379	STHJFYIGZXANCK-LICLKQGHSA-N	439.298	5.824	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C)c1C	2372234	GXBNANWVNGUMJJ-WJDWOHSUSA-N	439.562	5.650	50	40	IKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	3089294	OXHKKNZVMWBCPC-CMPFEXHJSA-N	438.980	5.691	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(C)c1	3330020	KDGDGHFJAADEAH-WOJGMQOQSA-N	445.504	5.007	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1Cl	9158598	LPJMZZZQOOJOMA-GDNBJRDFSA-N	430.813	6.473	50	40	IKGB	
COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3cccc(C)c3)CSC2=C1C#N	9693582	OUMIJLHBKAVRCQ-OAQYLSRUSA-N	441.556	5.376	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1	13546638	NFBDOMRSODMZCU-ZHZULCJRSA-N	444.491	5.255	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)c1	15223369	RLCOCIVFJMHFKA-MOSHPQCFSA-N	443.503	5.045	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	33827342	QAXJHSPPBJZDMU-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1	59336410	PGXRGPKXUDJGSO-PTNGSMBKSA-N	441.270	5.586	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C#N)(O[Si](C)(C)C)[C@@]4(C)CC[C@@H]32)C1	195778806	VSNTYDAJMLTELQ-JNFBOQJPSA-N	429.677	5.995	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)oc12	208463494	SMORTDDUNMHUBD-LGJNPRDNSA-N	437.927	5.490	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	408540434	RTGVFRTUHSLYQF-ITYLOYPMSA-N	430.976	6.242	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1	408748293	BLHFWKQZXMLWOZ-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408753911	LCOGUKVHUDJQHB-RPPGKUMJSA-N	440.286	5.331	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(O)cc1	408793062	CXUFAPHTSVSXDW-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c(C)c1	408795633	CPKWEDNBJBTKBC-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1	408814557	VTHDRPDOTYVEDJ-XIEYBQDHSA-N	446.550	6.835	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(C)c1OCc1ccc(Cl)cc1Cl	408854718	BPZOSXIXSFRZRH-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408855249	AUFCPILMIHZMQL-WGOQTCKBSA-N	437.952	5.225	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)o1	408983665	NGWGFXSCKZYZFX-UVTDQMKNSA-N	437.839	5.371	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409122783	BPALLAONLWICSF-OAQYLSRUSA-N	441.314	5.387	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1	409203948	ZUEGISGGWAWCKV-AFUMVMLFSA-N	441.984	5.389	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(F)cc1	3232185	BHAFUQGUYPDGDJ-LPYMAVHISA-N	444.506	5.884	50	40	IKGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	6195533	KPDMJWFGUHTRNM-VULFUBBASA-N	435.593	5.103	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCc2ccccc2C1	8721530	ZZCZPLMKABQKRJ-CPNJWEJPSA-N	433.305	5.201	50	40	IKGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc21	9260318	QGUCROFGKPBOMA-AQXNZCSYSA-N	427.346	5.839	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	27532482	XQFFRAFGZDRVFL-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1	33657913	LHKFHTUCWPNDEK-CYVLTUHYSA-N	442.475	5.307	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	40865616	BSHHBPOAWXWYLM-DTQAZKPQSA-N	446.288	5.016	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1F	58871367	WFLBXKZIUXKEAT-BRJLIKDPSA-N	430.266	5.149	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	59116949	ZUJTVUAGJATOGO-ZROIWOOFSA-N	449.732	5.446	50	40	IKGB	
O=C(N/C(=C/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	100472556	JXZHBUOWYJRBOQ-QLYXXIJNSA-O	442.906	5.448	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1	408761102	HUQVBOAKOZLOTK-UNOMPAQXSA-N	434.337	5.711	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	408796357	NUPZLUUSVVHTMS-PXLXIMEGSA-N	449.510	5.330	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1cccc2ccccc12	408885725	FPCWQQWHOYIGEX-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(O)cc1	409236312	DPAOMFXDQVWKBX-BOPFTXTBSA-N	425.410	5.364	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)c1	409251462	QHZBAFUIUPRTBG-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl	409310249	SSKUMPIYVCTDKH-CFRMEGHHSA-N	437.323	5.120	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1OCC	409323299	MYYWGBCETXHMON-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(O)c1	409391977	MFRDLADAEQWBFX-BRJLIKDPSA-N	445.302	5.051	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1[N+](=O)[O-]	409392764	RSDYXVPNARTOGE-WPWMEQJKSA-N	439.471	5.445	50	40	IKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(C)s3)c3ccccc3n2)c1	2109865	IDRGPFLQIFRCDE-WPWMEQJKSA-N	443.572	6.215	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccco1	3217842	YPQSXPUADVDZBN-WPWMEQJKSA-N	426.472	5.202	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	9434408	WCDIOAKMEJUVJE-LICLKQGHSA-N	435.524	5.750	50	40	IKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1cccs1	19927406	AWCHOUHNDBQZOP-SFHVURJKSA-N	449.885	5.725	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1	33711930	ACKCCMVFNHYOPC-JMIUGGIZSA-N	434.879	6.208	50	40	IKGB	
CCC/C(=N/NC(=O)C(O)(c1ccc(CC)cc1)c1ccc(CC)cc1)c1ccccc1	33909884	GHKZBQNDYINVQX-WCTVFOPTSA-N	428.576	5.368	50	40	IKGB	
BrCc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104051244	URXHOAYGPDBBIV-UHFFFAOYSA-N	447.356	5.808	50	40	IKGB	
C[Si](C)(C)O[C@@]1(C(F)(F)F)CC[C@H]2C[C@@H]1CC[C@]2(O[Si](C)(C)C)C(F)(F)F	169806694	DZFQSRPDBPDJKO-ZQDZILKHSA-N	436.585	6.502	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1C	408798059	UCDASKGZOUTEDY-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccccc1	408798378	HZTMLISGWFMEMQ-LTGZKZEYSA-N	449.466	5.873	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2F)c1	408870053	RRHCWNQIRHRTJC-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1cc(-c2ccccc2)nc2ccccc12	2316921	JITCXAIIYUQKRQ-VPUKRXIYSA-N	441.359	5.361	50	40	IKGB	
N#CC(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)/C(O)=N/c1nc(-c2cccs2)cs1	3207647	WJEGUJCOTMRGFR-JLHYYAGUSA-N	448.485	6.235	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccccc1Cl	8875124	YLRLBSWRKRTVBH-QBFSEMIESA-N	431.369	6.752	50	40	IKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccccc2Cl)c1	9704551	DKULKOKYCCWPCC-QGOAFFKASA-N	439.902	6.172	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc(-c2cc3ccccc3o2)cs1	12561566	JHRCCUFIDACLDT-GZTJUZNOSA-N	442.931	6.768	50	40	IKGB	
COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)c3nc4ccccc4s3)cs2)cc1	12853391	MZUQTDOBENOGAG-RVDMUPIBSA-N	432.530	5.510	50	40	IKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	20243959	HWKSLKDHBAEBHR-JVWAILMASA-N	437.008	6.694	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1	28217433	OXDQJQVAIAQTHK-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccccc1Cl	40006592	IONWPWCAMHWFOI-XDHOZWIPSA-N	436.895	5.134	50	40	IKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1	59483840	OMPSNDVIEICBOA-BUVRLJJBSA-N	444.373	5.006	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC	109821691	MTPDITQWWQJFCX-ANYBSYGZSA-N	446.591	6.281	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1	408587624	SNRAHFIFXAVWQF-ZDLGFXPLSA-N	444.745	7.299	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1cccc2ccccc12	408727087	XBUKDNGRPFPJMC-UPQZTNRYSA-N	442.559	5.704	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1	408743105	DPHQDQYJUYMLDY-ZHZULCJRSA-N	443.503	5.045	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C	408847154	PMMBJLXECXDBFO-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408879969	HZLPGROLYOACGW-YTJZSDDSSA-N	441.369	5.305	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1Cl	408897274	RDTNUQOQYCIWFK-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2cccc4ccccc24)cc1)OCO3	409106587	ODESYYNPIDHPOG-MHZLTWQESA-N	448.478	5.366	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br	1453935	OHSVFKVLLBOEOB-IZZDOVSWSA-N	426.097	5.310	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1O	3242296	GILUODRBVDBAIG-ZMOGYAJESA-N	449.557	5.067	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)ccc1OCc1ccccc1Cl	9334932	LUYGZYUQZOUPAN-OAQYLSRUSA-N	441.314	5.387	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1	11853124	GOXMNYNEULIPCQ-JLHYYAGUSA-N	430.302	5.697	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	27532474	UMALQEYRHHVWED-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(C(F)(F)F)c1	408542897	ONCHLKREGINNJW-YBEGLDIGSA-N	436.389	6.064	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408692692	SGWIJUFXMPGDFN-KBKYJPHKSA-N	449.769	5.617	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(F)cc1	408857097	SCNWDNBWLHDYNX-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1cc(C)cc(C)c1	408883312	QPLXEHANWWZWBP-CVKSISIWSA-N	438.571	6.455	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)c1	408989065	GTMJQTWBISTAHL-LDADJPATSA-N	430.489	5.304	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409233109	QIRSKSXUSXNXRC-NDENLUEZSA-N	447.416	5.702	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OC(C)C	409251383	PVJUOYWPNAHYFV-MOSHPQCFSA-N	426.944	5.182	50	40	IKGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1058651	NTXYNQBTCXSDCE-DEOSSOPVSA-N	443.547	5.035	50	40	IKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)c2n1	1242889	HANDGAQURGXVHY-SFQUDFHCSA-N	447.361	6.406	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c(Cl)c1	9288157	OESJWHQZFUMAIA-HDARYGDVSA-N	427.291	6.187	50	40	IKGB	
Cc1ccc(Sc2oc(/C=C(\C#N)c3cccc(Cl)c3)cc2Br)cc1	9323437	ZMLIHMWHWSMDEC-XNTDXEJSSA-N	430.754	7.219	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1	9404897	IYNQPQUBEKTFNY-RVDMUPIBSA-N	428.330	6.251	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1	20765038	JXNBMDKNYRKAPC-LQKURTRISA-N	445.950	5.814	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)Sc1nc2ccccc2s1	33451554	AXBWTVKRHKJTNC-CPNJWEJPSA-N	434.973	7.185	50	40	IKGB	
O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)[s+]1	68564779	AFGVGVRGDDSWFW-UHFFFAOYSA-N	449.535	7.003	50	40	IKGB	
S=C1OC(c2ccccc2)=N[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97983307	NLFQTUAOWCVLIJ-SANMLTNESA-N	438.512	5.111	50	40	IKGB	
C[Si](C)(C)O[C@@]1(C(F)(F)F)CC[C@@H]2C[C@@H]1CC[C@]2(O[Si](C)(C)C)C(F)(F)F	195760557	DZFQSRPDBPDJKO-NMWPEEMBSA-N	436.585	6.502	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Br)cc3)c2)c1	408579602	ILSYEPVRTYEBLW-DEDYPNTBSA-N	447.332	5.839	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)cc2)cc1	408719380	CZNOQKFEPOJYSL-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1C	408922883	HHWWRYBFLFJQOF-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c(C)c1	409220499	ASEYSJQNVBFSRL-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc(F)cc1	409251016	ZKSMVDLGSIFJDO-LQNQUEJISA-N	437.474	5.122	50	40	IKGB	
COc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1Cl	409312508	LVLJCGQCZNKVPR-CQSZACIVSA-N	449.359	5.153	50	40	IKGB	
Cc1ccc(N2CC=C(c3ccccc3)O[P@]2(=O)N(CCCl)CCCl)cc1	1579926	ZEYHMGDOONPESA-HHHXNRCGSA-N	425.296	5.760	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)o1	2283117	JOGQZJJEUZEGNZ-LFIBNONCSA-N	436.489	5.048	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	16755498	DFNLFPROSYZYHX-WQLSENKSSA-N	428.231	5.707	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	20197560	CSPMHCBPTVOWKO-LQKURTRISA-N	445.950	5.896	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC	28216795	PGAIHAMRAWQOMZ-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc([N+](=O)[O-])cc1	33422648	SUXDLXLOXBVKBA-MXAYSNPKSA-N	432.867	5.015	50	40	IKGB	
CC(C)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1	408971224	DUUAQSHRGJPQGH-AQHIEDMUSA-N	425.768	6.749	50	40	IKGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409033473	FHCMVFCLGWBEDW-WGOQTCKBSA-N	442.544	5.716	50	40	IKGB	
CC[C@@H](C)n1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cccc(C)c21	409038595	PMKFMQSDLMOTEN-UPHQNKNSSA-N	443.616	6.625	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)c2C)cc1	409186888	JCWVXKVVXZQMRP-YUMHPJSZSA-N	445.519	5.402	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(CC)cc3)o2)ccc1Cl	409366252	ZJKSIEFTCQVUIA-CVKSISIWSA-N	438.911	5.032	50	40	IKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1Cl	409390005	BMHSCPYXHDGEIX-RDRPBHBLSA-N	441.962	6.030	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1cccs1	1436507	GLKQJNUAPGNSHR-IBGZPJMESA-N	443.494	5.708	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c1OC	2633177	SZGXEKJGWCUMCH-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1cccs1	9311806	URDBORKRLAQIBJ-FSJBWODESA-N	438.350	5.278	50	40	IKGB	
COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1	9404392	JIDLQCXCZWKOJI-KAMYIIQDSA-N	427.913	5.466	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1	9934807	XKJDXBCJASXVFZ-KIBLKLHPSA-N	436.726	5.777	50	40	IKGB	
CCC/C(=N\NC(=O)C(O)(c1cc(C)ccc1C)c1cc(C)ccc1C)c1ccccc1	38195990	QQQLTFFPQRORFA-PBBVDAKRSA-N	428.576	5.477	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1c(C)cc(C)cc1C	408794658	AIUSYODOEABGBS-FYJGNVAPSA-N	444.506	5.884	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2cccc(C)c2)c1	408802922	JFURIMLEMIQFFL-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OC(C)C	408807913	IIAYRRSHJZQEMX-RIYZIHGNSA-N	449.732	5.444	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc(C)c1	408854921	KTUNEIHEESPARM-YUMHPJSZSA-N	428.488	5.483	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1	408887785	UEKRJLLXNPRMEQ-BRJLIKDPSA-N	447.705	5.630	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc2ccccc2c1	409190449	NPOCQBMLQDESBZ-IWIPYMOSSA-N	440.543	5.783	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1	409237362	TZHRQVXIBHJJFU-STZFKDTASA-N	435.930	5.543	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1	409392817	SEQDOKHNEPUACF-PDGQHHTCSA-N	426.432	5.123	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1	3146102	QHMHXNSVQBVDKQ-ZBCBXWAGSA-N	446.550	5.722	50	40	IKGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1	9110802	RSKXONVUCZGUAD-QGZVFWFLSA-N	446.359	5.012	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccccc1	9375127	QKNATEXAUNUBBA-PKAZHMFMSA-N	444.922	5.463	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1	9425461	RVWGIMHOGJRTTI-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
CC(C)c1ccc([C@@H](Nc2ccccc2C(=O)O)[C@@H](SC#N)C(=O)c2ccccc2)cc1	16575829	PIGTUCSJJLFITI-ILBGXUMGSA-N	444.556	6.127	50	40	IKGB	
CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1	19814703	AIIBMVWWNYVFQZ-HSZRJFAPSA-N	441.579	5.340	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	59335411	SZRNVCFEDVRRSJ-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC#N	59336533	NRKGOBYDZIWKHS-WJDWOHSUSA-N	442.302	5.179	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21	208249390	PXCAIWXNNLPMBP-DCMOEJRUSA-N	434.971	5.617	50	40	IKGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccco1	408762357	OGOMCLLPEFVWFU-AFUMVMLFSA-N	449.304	5.538	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(C)C	408801231	SOJIDLKPROZHKA-LICLKQGHSA-N	443.341	5.489	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1cc(C)cc(C)c1	408870199	VMEVBZUDGPMTOC-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1ccccc1Cl	408872017	JCGFLKRURIJCRC-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408874543	DKLOSNPWRYJESQ-RCCKNPSSSA-N	427.460	5.282	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	409220050	XQVBRVDAFAQUDB-ROTLSHHCSA-N	447.705	5.630	50	40	IKGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(CC(C)C)cc3)cs1)OCO2	1305575	QKOPTYQXBSBLJJ-XDHOZWIPSA-N	445.544	5.916	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)cc1	1439455	UAMZJECMFSQTSX-DEDYPNTBSA-N	445.906	5.423	50	40	IKGB	
O=C(CCBr)Nc1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	2577802	PTNPPQGTHMEINO-UHFFFAOYSA-N	449.248	5.488	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OC(C)C	20760976	FEBYTIUBGOPXRS-SSDVNMTOSA-N	439.737	5.052	50	40	IKGB	
COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@H]2c1ccccc1	25668527	AILISRZHYYKIJG-QOBDMFJFSA-N	446.983	5.194	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2s1	33581795	ZOPHARCXNNUZHZ-GXDHUFHOSA-N	439.905	6.775	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccccc1C#N	33664794	IXLGOWPXFQLJLJ-STZFKDTASA-N	432.483	5.121	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)Sc1nc2ccccc2s1	34805934	PAPJUFGPYDLIHD-DEDYPNTBSA-N	441.556	7.095	50	40	IKGB	
CC(C)[C@H]1CC[C@H](C)[C@@H](OC(=O)[C@H](Br)[C@H](Br)c2ccccc2)C1	104257193	ACZPKEKRNBBSNG-OGCZYDBJSA-N	446.223	5.890	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC	209488728	QXPAJGKZSLMLDZ-LICLKQGHSA-N	433.289	5.461	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408539798	JUHZFGNSCIRJHJ-LTGZKZEYSA-N	442.397	7.261	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408794646	AEOCDQKXFWSIBK-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cccc(Cl)c2)c1	408806725	BNUQZEURSAWORY-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc(C)c1	408812930	PVCZEKXYKYHEPN-WBBCYQFHSA-N	432.564	5.575	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1cccc(Br)c1	408854344	CVUUNRLSXQTPDO-QINSGFPZSA-N	428.127	6.066	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(Sc3ccccc3)o2)c1	408996011	CNAGPYWBTMHTEY-UHFFFAOYSA-N	449.963	6.256	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1	409015078	AHKUYOFNGQWMAT-VUTHCHCSSA-N	439.559	6.190	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(F)cc1	409393320	QEIPSEWIERDYAP-UCQKPKSFSA-N	431.482	6.735	50	40	IKGB	
Cn1cc(/C=C(C#N)/C(O)=N/c2ncc(Cc3cccc(Cl)c3)s2)c2ccccc21	1251475	AHNAJLLEGVPEGG-LFIBNONCSA-N	432.936	6.074	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	10059270	YQYLDRHOBOVFJJ-OOHHOYHOSA-N	435.480	5.206	50	40	IKGB	
CC(C)CCN(CCC(C)C)CC(=O)/C(C#N)=C1\NC(c2ccc(Cl)cc2)=CS1	15905851	SVLCEOPTAUQJKJ-BSYVCWPDSA-N	432.033	5.673	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1Br	20760392	RTVGDQBNRZJZPR-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)cc1	58871552	KYHJRDYNOCDHTE-ZMOGYAJESA-N	442.924	5.019	50	40	IKGB	
C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2)cc1	59473316	CKVCWFPPUGOPBP-VFCFBJKWSA-N	445.588	5.329	50	40	IKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(C)c1	100114150	OKFQFTBTAZDERM-WJDWOHSUSA-N	444.472	5.418	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C	208515333	HAJZFPBBYXFFHE-YVLHZVERSA-N	440.374	6.561	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1	408582974	QERPKZPBOLRLGW-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	408583713	WXXXWSMBJSBKOR-CPNJWEJPSA-N	439.920	5.489	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793212	DKWXUMRCTYJEPA-LTGZKZEYSA-N	438.458	6.210	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Cc2ccccc2F)c1	408871124	XVNTWBGJZNSBIR-RGVLZGJSSA-N	434.898	5.933	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408883197	UCTQLGBXIRLNLW-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409077351	FCMNSXQWBXPIRK-SFQUDFHCSA-N	444.403	5.149	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)ccc1Cl	409209102	FTKFGCUPBUSYQS-LDADJPATSA-N	448.906	5.939	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	409323206	ZIOHSZICBQTONL-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1ccc(C(=O)NN(C(=O)NC2CCCCC2)c2nc(-c3ccc(C)cc3)cs2)cc1	1415225	SFTOJJUHNATVOB-UHFFFAOYSA-N	448.592	5.621	50	40	IKGB	
Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1	2286889	VIQLROIGNPHCHS-YCRPNKLZSA-N	425.315	5.510	50	40	IKGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc1	2657771	MEBSZIKJOOHEBE-OEAKJJBVSA-N	427.961	5.150	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	9948698	RNZKRQWWPHNXLF-YSURURNPSA-N	442.129	6.253	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	13166253	XBZIRCWBKNVKQD-IBGZPJMESA-N	435.420	6.736	50	40	IKGB	
COc1ccc(/N=N/c2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1	17527754	KSMXFVJEVFGLMO-CYYJNZCTSA-N	428.428	5.456	50	40	IKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)=O)CC3)c3ccccc3n2)cc1	19636733	PIODRDOSUAVFQL-GOSISDBHSA-N	442.563	5.143	50	40	IKGB	
COc1cc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	19852062	PMCATLCUCZFUHZ-WWEVIYMKSA-N	444.579	5.348	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1cc2ccccc2cc1O	33634462	XHCRABDNVSWTPD-DICXZTSXSA-N	430.891	5.542	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	34746822	AADISJGKIOEBDZ-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
CCCc1ccc(/C(C)=N/NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)s1	36611229	MSMBCDNVBIPHPX-TURZUDJPSA-N	442.584	6.587	50	40	IKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)cc1	98001572	GSEGKTYVQOADIK-VFCFBJKWSA-N	432.564	6.108	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	103029660	XTHCTGWVKHFPIQ-IBGZPJMESA-N	435.420	7.576	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl	108845449	OBOKVDMYPZWNCS-MOSHPQCFSA-N	434.879	6.290	50	40	IKGB	
C[Si](C)(C)O[C@@]1(C(F)(F)F)CC[C@H]2C[C@@H]1CC[C@@]2(O[Si](C)(C)C)C(F)(F)F	169806693	DZFQSRPDBPDJKO-AJNGGQMLSA-N	436.585	6.502	50	40	IKGB	
C[Si](C)(C)O[C@@]1(C#N)c2ccccc2CCc2ccccc2[C@]1(C#N)O[Si](C)(C)C	195752965	ZVGFHOJNOGGLTR-ZEQRLZLVSA-N	434.688	5.626	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21	208243400	OYUCOUHTQCLCIM-SLVCOGOPSA-N	428.363	6.261	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc21	223503611	QHXFNDIVRXJSEA-STBIYBPSSA-N	425.576	6.322	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1Cl	408792546	AUJFRICALUQMOR-GXDHUFHOSA-N	429.328	6.592	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1	409230221	XPDVBBJTOHPEBD-RRAHZORUSA-N	446.550	6.075	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1OCC	409317133	PDAAJSUEYMCUGA-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccc(C)nc34)n2)cc1OC	9234165	MKLGXKOKYQFWEA-QGOAFFKASA-N	428.517	5.661	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1nc2ccccc2s1	12585983	GNMKKDTYKYIZFI-CAPFRKAQSA-N	432.504	6.733	50	40	IKGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	15227495	UYAKFEZNJGZZAO-CVKSISIWSA-N	435.936	5.299	50	40	IKGB	
N#C/C(=C(/Nc1ccccc1F)SCc1ccccc1F)S(=O)(=O)c1ccccc1	56918337	HTLSDVJBLNYCSW-QURGRASLSA-N	442.512	5.477	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1nc2ccccc2s1	95100354	JQPWRHNVAZFSIU-QGOAFFKASA-N	445.931	6.074	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	408539219	FZGSHUVBNFOTFB-BWAHOGKJSA-N	441.528	5.497	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408542419	JGSNPPFRPKPXLO-BKUYFWCQSA-N	444.443	5.335	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408568029	HSLOXXSZQJLFRT-BOPFTXTBSA-N	426.882	6.423	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408819026	ZOQHDKMGAPQURZ-RCCKNPSSSA-N	445.994	6.899	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408838716	HLSQQBQPKZXOPM-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1cc(C)cc(C)c1	408876688	PWZSSJNBUZFUPF-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408887534	PCGFDSOCGYJPNP-HYARGMPZSA-N	449.466	5.873	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1	408968450	YXMFCYJVHXIINN-UVHMKAGCSA-N	437.330	5.713	50	40	IKGB	
Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1	2283151	ISJHXAXZKNLMBX-UVTDQMKNSA-N	430.758	6.511	50	40	IKGB	
O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)c1ccncc1	8762556	DTBNRCVSXJIYPK-FSGOGVSDSA-N	443.510	5.365	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(C#N)cc1	9202241	ZFQKDFWFUBPHGX-RWPZCVJISA-N	447.922	5.262	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	12251005	OJMGXDYHCYMNSQ-DEOSSOPVSA-N	445.632	6.372	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2)[C@H]1c1ccccc1	17724680	YEKVTNGTKRIZFW-WWFXOLRUSA-N	431.539	5.348	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(F)cc1	18173602	ZUTQRAGSZLNAMD-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
CC/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(Cl)cc1Cl	19644199	MQXRBNKHQXOCNP-OEAKJJBVSA-N	446.186	7.059	50	40	IKGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	34185048	GUITWLGNBOBFRQ-KKMKTNMSSA-N	449.860	5.539	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl	45170985	NSKDOFJHJDSGGN-CPNJWEJPSA-N	429.907	6.258	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1	59473408	YZKHAIKNPNRZDW-BUVRLJJBSA-N	439.924	5.695	50	40	IKGB	
COc1cc(CNC(=O)[C@H](Cl)c2ccc(F)cc2)ccc1OCc1ccccc1F	72427733	BBBFQMSAFCDIGC-JOCHJYFZSA-N	431.866	5.149	50	40	IKGB	
COc1cc(CNC(=O)[C@@H](Cl)c2ccc(F)cc2)ccc1OCc1ccccc1F	72427734	BBBFQMSAFCDIGC-QFIPXVFZSA-N	431.866	5.149	50	40	IKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC	108174021	RVYHFTQRWXQGSI-KHAFMBKQSA-N	431.286	5.607	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NCCc1c[nH]c3ccccc13)[C@@H](C)CC(C)(C)N2C	208224513	GIRDUGUOERYMDM-CVHFWEDTSA-N	440.591	5.464	50	40	IKGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408719836	MUBDGRFVGCVDIC-CLCAUBNZSA-N	440.568	6.050	50	40	IKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)c3ccccc3)c2-c2ccccc2)cc1	408730105	FLRLCZJHGDBRPQ-XHLNEMQHSA-N	436.558	8.184	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1	408793973	HIWJDNPMJIAMCT-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)cc1	408805900	ICDPJTQGCXPVPG-XQNSMLJCSA-N	426.516	5.827	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	408816422	YQBYYVUVSMXXNH-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc(F)c1	408853699	QTTJZLLZRDHIHJ-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408871869	YNBLUELEJPUPBG-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Cl)cc1	408878440	BGDGIFAGOHTOHT-CPNJWEJPSA-N	448.906	5.482	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)cc1	409062907	CQWWAJVYQICTES-LDADJPATSA-N	435.911	5.310	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccc(Cl)c1	409216294	JWMANVATYNSVAK-MWLSYYOVSA-N	437.930	6.260	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1Br	409239037	YVMAQCJCHODZPU-RHTHQAGFSA-N	448.364	5.641	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1Cl	1453311	KBVOKEHIGLDBCE-MDWZMJQESA-N	431.706	6.761	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccc(Cl)cc1	3396673	OLQNYVSTDVJBSW-XHCMJAMOSA-N	425.985	5.698	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2Cl)cc1	12375374	SMVIHHMWXMCJON-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	34835390	HIVCGCYQNLUYOM-LDADJPATSA-N	427.342	5.791	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1[N+](=O)[O-]	58871536	MUODSTMIVBBYMK-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccccc1	59117685	NXRHKBJEZMIQCE-RCCKNPSSSA-N	426.472	5.159	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1c(Cl)cccc1Cl	59488453	HTRPAPOJTHHXET-FOKLQQMPSA-N	426.731	5.214	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)c1	223171566	WJXZMTWGVGDONT-WQRHYEAKSA-N	435.911	5.310	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC	408579549	HQOXPIBYXYEXFC-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408807943	IKRMPQXJMCKEBD-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408812799	PNNAHURSEJSHGB-RCCKNPSSSA-N	449.466	5.873	50	40	IKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccccc2)c1Cl	408816233	SZQXJHXONGUAFB-WYMPLXKRSA-N	446.290	5.271	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)n1	408821426	HFUOTQNPIXICHX-VCHYOVAHSA-N	449.341	6.057	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1	408892122	GIWPQJNUDXQWIA-CPNJWEJPSA-N	446.890	5.504	50	40	IKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)c1	2764213	DDMBSLVUSVJMLB-WGOQTCKBSA-N	429.545	5.906	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(Cl)cc1	8763907	LBONIMFRUYLXNX-XDHOZWIPSA-N	429.907	6.177	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc1	9282495	UNRAGQCDHVLPMD-QHCPKHFHSA-N	434.499	5.361	50	40	IKGB	
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1ccc(CCl)cc1	14183222	YHQDWMNPYDSETA-UHFFFAOYSA-N	449.359	5.440	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccccc1Cl	28216021	LXNDZGPMVAETQQ-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cccc1[N+](=O)[O-]	28217473	WKRSRKMTSAJDJS-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCCCCCCCC2)[C@H]1c1ccccc1	35193605	YOGAOZLYRMFDBV-SQHAQQRYSA-N	431.580	5.804	50	40	IKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1	59336412	RRCCSOZLJHEHIW-WJDWOHSUSA-N	425.271	6.002	50	40	IKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	252494095	NKTMZYCFTKUASJ-LFIBNONCSA-N	435.867	6.177	50	40	IKGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(O)O2	408730754	HPIXPTITFRQTFC-AREMUKBSSA-N	429.479	6.305	50	40	IKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(C(C)(C)C)c1O	408753991	LLHBRWJLCFKAQN-DHDCSXOGSA-N	445.390	6.840	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1	408758865	SSAKHHZBDGECQO-GZTJUZNOSA-N	447.834	5.013	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1	409179059	MUOUGHVRHKAOCI-JFLMPSFJSA-N	436.939	5.237	50	40	IKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)o1	409188351	GZRYFFBEMQTARC-XNTDXEJSSA-N	435.867	5.106	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cn(CCOc2ccccc2)c2ccccc12	409212245	QIKSEQHQVPAMDO-JZJYNLBNSA-N	437.499	5.275	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC	1825228	ATFJBJWMRIJKHY-SDNWHVSQSA-N	442.338	5.566	50	40	IKGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1Cl	3042307	PXWBQCGGHJVQQD-VULFUBBASA-N	430.976	5.592	50	40	IKGB	
Cc1ccc(N[C@@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	3083165	PVHHSNQNMMZOQZ-XMMPIXPASA-N	432.416	5.621	50	40	IKGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)c2ccccc12	6144161	DGUOIFFHBNLDFT-PGMHBOJBSA-N	449.510	5.412	50	40	IKGB	
C/C=C1\[C@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(F)c(Cl)c1	12362736	KKAUQBFXQFJVLX-BCXDPRBCSA-N	427.751	5.644	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	16526085	XYFXWRGVCLVMCF-BOPFTXTBSA-N	440.911	6.787	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCc1ccccc1	35078643	XDAYOIJMFLTXIF-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	40570696	CQWXCOHJIUOIGO-VULFUBBASA-N	440.528	5.073	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1	408531888	OXZNLWXOZZMIMY-KQWNVCNZSA-N	440.340	7.245	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408742611	WTYGUUMMSDMDOP-IMRQLAEWSA-N	431.539	5.985	50	40	IKGB	
CCn1nc(C)c(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c1C	2109336	GXLMTXMGELWWKD-JFLMPSFJSA-N	425.536	5.116	50	40	IKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1	2295032	JVELBWPADMKOAA-QGOAFFKASA-N	431.289	5.226	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cccnc1	3335267	CLBOHBQMPLYJEM-STBIYBPSSA-N	437.499	5.004	50	40	IKGB	
Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C\c3c[nH]c4ccccc34)[nH]n2)cc1	8433010	ABSAKSOINPGFJA-MWLSYYOVSA-N	449.514	5.209	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(Br)c1	9007723	HSSPIZAKBMQXNX-GXDHUFHOSA-N	441.310	5.766	50	40	IKGB	
Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	9261932	ACGNYMNMKPFWAP-ZVHZXABRSA-N	440.341	5.258	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OC(F)F	22608539	WBVSDAAAFVEBEL-IZZDOVSWSA-N	426.366	5.989	50	40	IKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCC	33608594	MQWMHHIZDNIYRV-WPWMEQJKSA-N	432.520	5.138	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1cccc(Br)c1	35153730	JEYZGFGLLSWSCO-MFKUBSTISA-N	448.320	5.166	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)Sc1nc2ccccc2s1	35403309	SICNRTIDUMMHSZ-JLHYYAGUSA-N	429.353	7.520	50	40	IKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	58916762	ZWKYSUSECLAAQT-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc2ccccc2c1	408551615	ORCHENZGDDUABY-IWIPYMOSSA-N	440.340	7.245	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2Br)o1)c1nc2ccc(F)cc2[nH]1	408568482	JQSHCUBHGLDFLR-XFFZJAGNSA-N	426.220	5.928	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408735645	VPQMZIOPJXQGJX-XNTDXEJSSA-N	431.717	5.521	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1	408790814	REFVOXBXCDYPRM-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(C)c1	408793383	DVNXVXTWOMRUJA-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408810364	KIEGKFZMHWESOZ-QPOZXBEKSA-N	443.374	6.174	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1cccc(F)c1	408874152	ZGSBBARCMHYERA-VXLYETTFSA-N	434.898	5.933	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccccc1	408897049	PZGLXCUDYGDBSR-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	852255	RGBALHITHFEAFO-HUZSXYRPSA-N	441.918	5.150	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1	2669827	GQTYLVVIPBHIKF-XMHGGMMESA-N	440.565	5.656	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1	2726915	CCHWZODQIYHGHL-FYJGNVAPSA-N	439.946	6.506	50	40	IKGB	
CCCCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)ccc1Cl	4067177	PGQBFXHJKXJJHE-GHRIWEEISA-N	445.906	6.497	50	40	IKGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	8984494	UIQVSNUJTVJNGU-LICLKQGHSA-N	433.335	5.404	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CC(C)(C)CC3=O)N2)c1	13080563	LIZSLYABIKYNSH-JOCHJYFZSA-N	447.560	5.025	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccsc2)[C@@H]1c1ccsc1	13479739	RXKIGRVABWAINI-DGGPYNQQSA-N	443.597	5.471	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1	20194974	PSUXDNQRZRMXLQ-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
N#C/C(=C/c1ccco1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1	27023342	RLWXYRBXSQAZRR-KAMYIIQDSA-N	437.933	6.434	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	28217032	ITELEQYTZNSJCK-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	34688436	ZPRVOVANWLCUCS-WGOQTCKBSA-N	428.561	5.662	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1O[C@H](C)CC	35385720	YSFVLIRTUUGQOP-KDVQLTRESA-N	442.899	5.160	50	40	IKGB	
Cc1ccc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(=O)oc2c1C	102479393	FDGNVFQAKVUANZ-UHFFFAOYSA-N	449.510	5.904	50	40	IKGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	107712646	BDILKVMORATLCX-UUYOSTAYSA-N	439.737	5.054	50	40	IKGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1c2ccccc2cc2ccccc12	108904681	RQJWIZCUCTXLJM-MUFRIFMGSA-N	429.479	5.257	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1	408793040	CRERQHNDMIKPDO-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408793908	HGWXQZCBNPDRNS-GZTJUZNOSA-N	441.325	5.267	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1	408878861	CTXLKGYLRPBWSZ-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(C)cc1	9483426	APPPYHGWDNJBAO-UQQQWYQISA-N	437.337	5.491	50	40	IKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN(c1ccccc1)c1ccccc1)c1nc3ccccc3nc12	16739529	CHJOBZTUWJJCAQ-WDYNHAJCSA-N	448.570	5.828	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	33760081	IOFBWSUSMVZVSJ-AUWJEWJLSA-N	448.762	6.240	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl	59336185	LXVGVLVPZCXRIY-WDZFZDKYSA-N	430.118	6.245	50	40	IKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c(C)c1	102883715	AGVNBRSSOYMNSH-QFIPXVFZSA-N	447.560	5.846	50	40	IKGB	
CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	103528582	FHWZMGOQHKRDNR-GOSISDBHSA-N	448.395	8.614	50	40	IKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3	105555057	VXOZCESVZIRHCJ-BPHCGOCKSA-N	428.657	6.474	50	40	IKGB	in-man
Cc1ccc(NC(=O)/C(C#N)=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1	198134053	JESWPTZPTFOACF-BSYVCWPDSA-N	427.891	5.111	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3Br)o2)cc1	252495809	PBERWUINVHZGLW-GXDHUFHOSA-N	425.257	5.702	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	408543219	NTIGLGAGQVZDIY-UNOMPAQXSA-N	439.446	5.073	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1ccccc1F	408869417	DDFLREJQCMMMNV-YBFXNURJSA-N	434.898	5.933	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1cccc2ccccc12	408885482	AORQAYDIAMRCMQ-LFVJCYFKSA-N	448.522	6.282	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1cc(-c2ccccc2)nc2ccccc12	409035589	JKRDUVVMZFCSBO-RHANQZHGSA-N	435.458	6.065	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1	409073482	ZFUUCPRNSOREJK-GHRIWEEISA-N	440.864	5.080	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409205017	FHDQDUZBLLUOBK-WJRZFDRGSA-N	447.922	5.075	50	40	IKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409327184	QVXAQSHGKNOPMC-KRWDZBQOSA-N	433.360	5.664	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c([N+](=O)[O-])c1	9445024	SWQQUTUVQVGUDT-QGOAFFKASA-N	428.473	5.857	50	40	IKGB	
N#C/C(=C\c1ccc(OCCCOc2ccccc2)c(Cl)c1)C(=O)NCc1ccco1	12285468	PUACFOWNSYOGBA-XMHGGMMESA-N	436.895	5.004	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1	20197734	WJPGXMOVECTYSX-CVKSISIWSA-N	439.943	5.309	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1	59272273	WYBWFVLKVMFGCO-MOSHPQCFSA-N	432.907	5.863	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1	59335436	UETRZAHKEZZEGL-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	59427238	CQOFRRHXWOTRRM-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2[C@H](C)CC1(C)C	208321077	JWWXUABQVWDODQ-PBEVGHANSA-N	432.395	6.178	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1C	408692961	ZJARYCDEYZJRON-RPPGKUMJSA-N	429.351	5.272	50	40	IKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408729261	YTXWNUBJBIULBV-RAWMCFOBSA-N	444.749	5.931	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1	408847290	SVRZSCUFMDDLFJ-LGJNPRDNSA-N	427.331	5.953	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1cccc(F)c1	408877607	WCYCGGNWAPTDFT-UDWIEESQSA-N	445.450	5.269	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408878692	CVAOSQNTKOJELJ-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NCCc1c[nH]c2ccccc12	408947234	BJCPFNNZMVFZQQ-JCMHNJIXSA-N	439.490	5.152	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	409009297	CYKVCWGTIAWWJD-CEUNXORHSA-N	438.527	5.825	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4c(C)cccc4C)c3C)cc2c1	409187144	MRZUJXJONCQBCA-DICXZTSXSA-N	429.520	5.620	50	40	IKGB	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	2768454	MSHQYLOMWMAWEM-MQMHFVAESA-N	432.527	5.632	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	3067296	WULOXDAILZWBTH-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(F)cc1	3286725	XITZMJDBFWTXBN-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1	98001631	CBIAJDQFFHICKF-LGUFXXKBSA-N	439.556	6.187	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c3ccccc32)cc1	107845362	BHZMZALZJYZNMI-BKUYFWCQSA-N	435.483	5.242	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408777393	YFTMDBPFDASZMQ-KQWNVCNZSA-N	425.576	6.554	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1	408793004	CPRDUDMYNPQSRU-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1C	408793035	CZECCPTWBYFPDX-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1C#N	408807380	CFRMAPKPHDRAED-STZFKDTASA-N	434.474	5.554	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(OC)c2)cc1	408891224	NDWRTJBJRLRNMC-HYARGMPZSA-N	442.515	5.445	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409202223	QIYLXKQEIVHODN-AUEPDCJTSA-N	449.315	5.194	50	40	IKGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c1	9458111	ZPRWJBPAPMUOOU-RGEXLXHISA-N	434.524	6.222	50	40	IKGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(N/N=C/c2cccc3ccccc23)cc1	25389550	RRANDRNGYGXGRJ-LVXWCJCWSA-N	442.522	6.203	50	40	IKGB	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-]	33491423	IGTOFQYEJGQFIM-UYRXBGFRSA-N	446.894	5.239	50	40	IKGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	58914531	SAIWZFWNAIVMNX-ROTLSHHCSA-N	444.318	5.466	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)cc1	59335785	XHMKYLLITYHNSS-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccccc2)cc1	101668536	KSRHKBLGXYFABJ-XHLNEMQHSA-N	444.575	6.379	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1	408534695	WKNUIARTLRRJSN-MOSHPQCFSA-N	435.321	5.707	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3O)cc2-c2cccc3ccccc23)c1	408724513	LHNNHBXHHCFTQG-RDRPBHBLSA-N	446.510	5.470	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c(C)c1	408744657	MKULSNIBFGADPM-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(Cl)c1	409051279	BKSNGVCOWDGBIF-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	409236773	HJUWQSYKQXBNDE-WJDWOHSUSA-N	430.335	5.538	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(N(C)C)cc1	2307492	DUUFMFNMFZPEPZ-JLPGSUDCSA-N	434.543	5.859	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3F)n2)c1	9075629	ACPKKWXRJSKSIE-RAXLEYEMSA-N	430.302	5.697	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccco2)cs1	12273735	YYDNSIJBQKYPFH-XYOKQWHBSA-N	446.837	7.399	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(Br)cc1	20247365	RAZYWTOPJRXFBK-ZMOGYAJESA-N	437.362	5.402	50	40	IKGB	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1cccc2ccccc12	32579234	GLRGNRNKCMRDRO-GOSISDBHSA-N	441.556	5.292	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccccc1Br	33561217	SOTNXQJEPFLIQA-ATVHPVEESA-N	436.309	5.108	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	96483764	VFAFLSZRFMKZOJ-VYYCAZPPSA-N	445.906	5.363	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Cl)cc1	107882685	HAGAJEYRQMLFPU-MSXFZWOLSA-N	444.361	8.098	50	40	IKGB	
CCOC(=O)N/N=C(/C)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118918356	BHLVYDMAVBWYJH-OCELUROQSA-N	442.600	5.539	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC	408726470	SXNAYMNIIXLWBX-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C	408743349	VSNKJZVGYDZSOH-KEBDBYFISA-N	436.475	5.011	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1Cl	408811882	RXOPWPPEZMYILY-XMHGGMMESA-N	443.909	6.336	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Cl)c1	408890132	OIYUSZVMHBOGSI-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
CCOc1ccc([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	1301430	HUUWSLPHLZNUNY-VAXXYWNWSA-N	444.579	5.350	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	2349269	FOUQAHPKRVYLPU-LGJNPRDNSA-N	448.866	5.224	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccccc1	2768110	DKWZQTOLQYFUBQ-RCCKNPSSSA-N	438.918	5.416	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)c1	6573654	BQHSESIQPQAIOT-VBKFSLOCSA-N	437.293	5.653	50	40	IKGB	
Cc1oc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1Br	16249878	ANSJHKCQJVWKQY-FOKLQQMPSA-N	441.350	5.304	50	40	IKGB	
CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(SC#N)cc3)cc2)cc1	16638412	LVPNNDPGQCWVDL-VUTHCHCSSA-N	442.584	7.352	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240604	SUVWCJNMCNCNCX-VUTHCHCSSA-N	445.994	5.559	50	40	IKGB	
CC(C)CCOc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1	33706818	REHKIKXOYGPLQE-OKSBFYSISA-N	433.577	6.011	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	59297464	VJSVFVMVJAZTCB-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1	207156361	OXMMWWCBSMCQLS-ZOLHPDHPSA-N	426.516	5.367	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccs2)cc1-c1cccc2ccccc12	408724918	MYYGFKLBLFGTES-WPWMEQJKSA-N	436.540	5.826	50	40	IKGB	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408780938	NVTFMKFCWSUZAO-UHFFFAOYSA-N	432.321	5.866	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc(CSCc2ccccc2)cc1	408782713	IVKIXRGSSOCIOH-UHFFFAOYSA-N	436.665	7.511	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1	408789647	QOPKKVXAXRDMLY-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1	408885664	DOWTYVLEEWCXAI-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(C)cc(C)c1	408889224	BNMBGGDBGKBYEV-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2cccc(F)c2)c1	408892576	CCDQERXECGMJOH-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
N#C/C(=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)C(=O)Nc1ccccc1	409063156	HTJGSPRNDKXPJN-FOWTUZBSSA-N	444.853	5.760	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	409257102	QHWDOGVBRIHLAX-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccco1	409399353	ZVEBAXXKCUNIDW-UHFFFAOYSA-N	449.466	5.411	50	40	IKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	1905989	HYEJCPSDDQOXNE-LDADJPATSA-N	437.952	5.720	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl	2162496	ANETUNRLPOQFFD-LGJNPRDNSA-N	437.282	5.669	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3Cl)c3ccccc23)c1	9311512	MWPUKABJZNUTBR-UYRXBGFRSA-N	441.918	5.897	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1	33793069	WERSUUKQHOEIDY-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2C(C)=CC1(C)C	208513632	YVFKAIAMCPKJSY-VULFUBBASA-N	425.960	5.199	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1	408745659	UUJFTSILHYETJT-BKUYFWCQSA-N	443.503	5.045	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1	408803402	OMLOAXWAFMDHAQ-HAVVHWLPSA-N	448.522	6.282	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cc(Cl)ccc1Cl	408998741	QFLBMUJBHWRJLV-VYYCAZPPSA-N	436.342	6.318	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1Cl	409198206	ZRZQTSXPPQGNTK-KEBDBYFISA-N	447.922	5.008	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	409223447	ZMIZVAVRHGABMX-ZMFRSBBQSA-N	431.294	5.404	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1	409319034	ZHUDTASTZCPDKP-HMAPJEAMSA-N	436.467	6.400	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	409364162	NFUZGQUWBBAWBL-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3Br)n2)c1	1295222	WTCDJLYELVTDNG-RVDMUPIBSA-N	426.339	5.866	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1	2734385	OFCRZQVRKHBWTG-AFUMVMLFSA-N	445.350	5.181	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)c(C)c1	9113753	AFVBUOFBBUZVEE-MUFRIFMGSA-N	435.527	6.374	50	40	IKGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	20100859	PKSOLAFIGPJUEX-WYMPLXKRSA-N	433.291	5.181	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	28216492	DGZDRYCHQGZIMU-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)COc1ccccc1-c1ccccc1	33420981	YKDIODJTLCSOKP-YUMHPJSZSA-N	444.922	5.030	50	40	IKGB	
N#C/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	35302269	JIDOAEPVOBRMBT-OWOJBTEDSA-N	427.523	5.981	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1cccc(Cl)c1Cl	59335934	AXQQIKJLUQILEO-UNOMPAQXSA-N	448.309	5.990	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1	408580956	SPDQNDDNBSOFIH-WOJGMQOQSA-N	425.271	6.545	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)cc1	408724890	MRIUHTFSNYGDRI-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccccc2F)cc1	408778677	WGPPBNQFDSAMES-HMAPJEAMSA-N	431.511	5.244	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC	408836710	UNCKLGQCOSJPNI-CPNJWEJPSA-N	448.906	5.482	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(F)c2)ccc2ccccc12	408889067	BJJHZAURWQUFMW-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2F)cc1	408890814	ZQDREFMHSMLKMU-XSFVSMFZSA-N	446.478	5.358	50	40	IKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OC	408900906	YWXVDERKKGVJPE-HZHRSRAPSA-N	433.346	5.181	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(C)cc(C)cc1C	408984341	GYMFKURCKAAZOA-OEAKJJBVSA-N	440.543	6.054	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	409048337	OADXTKXCXWWQOM-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	1651138	HIMBTAUQZDOROF-UHFFFAOYSA-N	432.936	5.187	50	40	IKGB	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	1772694	ZPCGBJDGUQGADO-KGENOOAVSA-N	444.556	6.261	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1coc2c(Cl)cc(Cl)cc2c1=O	2749516	SHPKVPCYFBVAQB-ONNFQVAWSA-N	449.677	5.307	50	40	IKGB	
CCc1cc(SC#N)cc(C)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	3419488	YEQRKPWSFAUYQA-UHFFFAOYSA-N	432.389	6.421	50	40	IKGB	
CCC/C(=N/NC(=O)C(O)(c1cc(C)ccc1C)c1cc(C)ccc1C)c1ccccc1	4855656	QQQLTFFPQRORFA-WCTVFOPTSA-N	428.576	5.477	50	40	IKGB	
Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O3	8451279	XUVVZBRDLHEJRR-HNNXBMFYSA-N	430.302	5.033	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	8770845	CVPKNQZWRAGVAP-VGOFMYFVSA-N	425.296	6.287	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)c1	9311074	JVYQBHPLQDEGDI-STBIYBPSSA-N	438.575	5.882	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	12528706	FJMWJJJWAPILRY-MHWRWJLKSA-N	444.844	5.707	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	33338979	QXRVNDCFCHMEAR-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	58900756	APGMLRIMXYOKJZ-RLPDPWMMSA-N	448.320	5.130	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1	59201364	FSFDVVYKILKEBR-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473014	KHWHRLWSBIUDIY-YDZHTSKRSA-N	425.897	5.304	50	40	IKGB	
S/C=C(/c1nc2ccccc2[nH]1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102937854	GPCXFDMFNMQUKM-UHFFFAOYSA-O	437.528	5.785	50	40	IKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(C)cc1	408539894	KJCJCGGYMGZIOM-UQQQWYQISA-N	445.401	6.261	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1	408579071	CXULOGYUIJSIEF-OQKWZONESA-N	425.509	5.980	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1	408757307	YIDXNPVUGABBSS-HMMYKYKNSA-N	434.499	5.134	50	40	IKGB	
Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OC(C)C)cc3)cc2)cc1	408826317	JBKOKVWSSZNJOD-XQNSMLJCSA-N	426.516	5.907	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1ccccc1Cl	408877584	VWRDDUUQMJEVPM-OEAKJJBVSA-N	444.962	6.492	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCC#N	408982053	FKDZGYINPODFMQ-NVNXTCNLSA-N	430.291	5.149	50	40	IKGB	
Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c(C#N)c1C	408983856	NTVBVYFIYSDJOH-GRSHGNNSSA-N	448.979	6.152	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1C	409177113	AUHGJPQSLXDHEH-RWPZCVJISA-N	429.951	5.653	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OC(C)C	409217302	OVENHXGRYHSPCY-FOKLQQMPSA-N	441.380	5.422	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1Cl	409316257	YDKKCXQGZGBSQS-MRXNPFEDSA-N	446.359	5.012	50	40	IKGB	
CN(C)c1ccc(/C=N/[C@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1	3304919	CQZDGVAIRHMEKY-YTSBWPFGSA-N	438.511	5.884	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3/C(=N/NC(N)=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	4293150	CQCNMHGZPMKDSP-PGQBOONASA-N	445.648	5.259	50	40	IKGB	
Cc1cccc2c1-c1ccccc1[C@@H](Br)[C@@H](Br)c1ccccc1-2	68565046	SOUDCZZCCSUUMO-LEWJYISDSA-N	428.167	7.215	50	40	IKGB	biogenic
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1ccccc1Cl	408541516	GNRYNEOOJULVNR-PTNGSMBKSA-N	445.862	5.180	50	40	IKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1cccc(C(=O)OC(C)C)c1	408691561	FDAHGFJEIYKFLD-BKUYFWCQSA-N	438.531	5.616	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1	408794356	SBGAZPMAGWKKCJ-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408810917	QGCKXJLDNWCIKZ-XNTDXEJSSA-N	427.287	6.116	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc(C)c1	408817323	SYNRAABIAKUHGC-UDIPQKBFSA-N	426.516	5.367	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408936475	KCSOZMLMJKGDOU-STZFKDTASA-N	427.460	5.282	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1	409231294	BRGAHFCWXFVGAN-ATVHPVEESA-N	439.367	6.999	50	40	IKGB	
COc1cc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c(OC)cc1Cl	2577613	YXUHUTIVTWVWBO-UHFFFAOYSA-N	431.881	5.068	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1	3664206	MJKGKVZDZIETHI-KUDAPRQGSA-N	445.563	5.029	50	40	IKGB	
N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cccc(Br)c2)cs1	9075542	OOLMBCKDXYRGLQ-XFXZXTDPSA-N	445.273	5.596	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(Br)c1	9667606	KAXYWKCIIDCWHP-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC	12140013	MMNRXGKXTDLJGL-KEBDBYFISA-N	428.513	6.053	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(C)C	33360351	QMGSXFJENFBKFF-QRQIAZFYSA-N	439.515	5.462	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	59292111	HMPGAIXZHZHGJZ-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1	96663182	YUZPSIQHXKYRKV-YZYPPFLQSA-N	431.423	5.311	50	40	IKGB	
C/C(=N\NC(=O)c1ccncc1)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	118918574	HIMZXVKKQBAUQS-QSGQLJQXSA-N	435.612	5.127	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1C	260563099	FNTBZGHBOHJNSB-SGMQAHBGSA-N	429.608	6.658	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1	408745325	LPCGDJHYODQNAN-QJOMJCCJSA-N	427.548	5.991	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C)cc1	408746348	YNYJZRPDJVFQNX-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1OCc1ccccc1	408761138	CEIDSSROGKIAJO-BUVRLJJBSA-N	434.495	5.973	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Br	408866100	GIELNLREJZLLAO-RCCKNPSSSA-N	431.333	5.894	50	40	IKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1OCc1ccc(Cl)cc1	12364232	FVLIWQWQPIUESM-STZFKDTASA-N	446.934	6.090	50	40	IKGB	
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\C#N)c2nc3ccccc3s2)cs1	12971329	FCWSDYHRJNZEHS-NTEUORMPSA-N	436.949	6.155	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1	59116678	WAFNRTCEEPUZOE-CPNJWEJPSA-N	433.305	5.574	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(F)cc1	59245272	VKTWABXNMDYXNU-JCMHNJIXSA-N	444.506	5.911	50	40	IKGB	
O=C(OC(=O)c1cc(-c2ccccc2)nc2ccc(-c3ccccc3)cc12)c1ccccc1	98042999	CLVPXNDTNHTXCW-UHFFFAOYSA-N	429.475	6.566	50	40	IKGB	
N#CC(C#N)=C1C=C(NC2CCCCC2)C=C2[C@@H]1N[C@@]13CCCC[C@H]1CC1=C(CCCC1)N23	100672632	WUJKFZSNKZMUFF-GJJMEYSYSA-N	441.623	5.426	50	40	IKGB	
CCOc1ccc2c(N/N=C/c3ccc(N(CCCl)CCCl)cc3)cc(C)nc2c1	104208369	YKBUBGVHUMOMJF-WGOQTCKBSA-N	445.394	5.672	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1	408734152	DQWCTJJTUKLZDI-NTEUORMPSA-N	437.839	5.371	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	408986075	LNAZTBUXSBNDHA-UNOMPAQXSA-N	447.878	5.681	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Cl)cc1	409190274	REWTUPVTDGBVSJ-ZDLGFXPLSA-N	429.347	5.847	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)ccc1Cl	409257521	SGTBVAQAJLUFCI-JFLMPSFJSA-N	446.890	5.233	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CCCCC1	9323056	FRQIKYFVYLJRTO-LDADJPATSA-N	429.347	5.928	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1	12586030	NKMSWJCXUULFJN-LDADJPATSA-N	432.932	6.601	50	40	IKGB	
CCCCCC1CCC(c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1	13940351	YOIXYJNGLIHREY-UHFFFAOYSA-N	437.540	5.524	50	40	IKGB	
CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2cccc(OC)c2)cc1	18996754	VROQUVSWBHMIKR-MTDXEUNCSA-N	446.547	5.146	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1	20765010	KUQBCTSJRCTNPP-JFLMPSFJSA-N	431.923	5.506	50	40	IKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	33759598	QSNJVDKEKVHJJS-CIKBWMHTSA-N	440.341	5.884	50	40	IKGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)s1	34909518	GHRKKRDZPGLXMX-JYRVWZFOSA-N	434.373	5.956	50	40	IKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Br)o2)cc1	252499911	SIXMSFXHOYQHJP-GHRIWEEISA-N	435.321	6.378	50	40	IKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1C	408586578	OAMFIANYVUUQLV-UNOMPAQXSA-N	439.342	6.642	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc(C)c1	408744691	MPISGACKCWFIIH-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)c1	408873933	XLVNAKDDNUKVBZ-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1	409006370	IZRMMKOUZPTNRA-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc(-c2ccccc2)nc2ccccc12	409029370	ACNXUQKNVZSAAB-LGJNPRDNSA-N	429.863	5.048	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1	409203382	VWEUPCPGIMGMLU-BRJLIKDPSA-N	437.874	5.392	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1OC	409319096	ADXKIUPRFSKLJM-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1	3060895	HCIWAXFNGGXRRU-QNBFMKIVSA-N	440.587	5.939	50	40	IKGB	
COc1ccc(CCN(C(=O)CCCl)c2nc(-c3ccccc3)cs2)cc1OC	12468972	FBEKEXXYAHZWTG-UHFFFAOYSA-N	430.957	5.032	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccccc1Cl	28215987	HWCWYGNDBVPGTA-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccc(F)cc1)(c1ccccc1)C(C)(C)C	102140258	ROAAMAYRVLZXPI-JGCGQSQUSA-N	445.522	6.910	50	40	IKGB	
Cc1cccc(C)c1NP(=O)(Nc1c(C)cccc1C)N(CCCl)CCCl	104074194	AOEZFGBRZWZZTA-UHFFFAOYSA-N	428.344	6.332	50	40	IKGB	
CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccs2)c(OC)c1	105407984	LVIQIOXYBACOLN-CYVLTUHYSA-N	440.565	5.360	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)c1	408742587	BBZYRZMDMFBTEO-ZHZULCJRSA-N	447.332	5.882	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408746415	YYLGFAGBLDTMLD-ATVHPVEESA-N	444.403	5.149	50	40	IKGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1	408857064	JIQZEHUJSRGPKX-UHFFFAOYSA-N	446.639	5.331	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2F)c1	408873202	OKACLFKPVFFSDR-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)cc1	408890131	OHYWUXQSDMIHCO-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3F)c3ccccc23)cc1Cl	408982942	IZSZXTAPWNGJAO-UNOMPAQXSA-N	443.909	6.336	50	40	IKGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409095927	DXPIKYJRZWFMLG-OYKKKHCWSA-N	426.925	5.029	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	409118083	PYOFIGQXCAGPMA-HZZGJGATSA-N	433.360	6.193	50	40	IKGB	
C/C(=N\NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(N2CCOCC2)cc1	19646935	BXBDSGMPXYXNBU-ZMOGYAJESA-N	448.375	5.199	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(C)cc1	33720362	KTFRCVABARPZIJ-MTDXEUNCSA-N	439.515	5.137	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)cc1Cl	33762813	CZIYKZSXTHLVDR-YBFXNURJSA-N	436.005	7.322	50	40	IKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/C(Br)=C\c1ccccc1	53290165	HBOSTFWAVPUHEX-NESOBDLWSA-N	446.348	5.723	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC	59473221	DEXQDCGJQJVOLV-YZSQISJMSA-N	432.545	5.316	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1	59473326	VOZYXGDCCXWLQF-BRJLIKDPSA-N	449.790	6.703	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1	96398847	VRIFUZRCFNWZTM-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(SC#N)cc1[N+](=O)[O-]	101123615	RZRFTTITRRZMKK-LDADJPATSA-N	429.461	5.040	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)ccc1Cl	252484215	FRXOJTYDKQHZBF-SFQUDFHCSA-N	434.879	5.631	50	40	IKGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	408569639	PABJANDLZPCIEB-PCLIKHOPSA-N	434.586	5.361	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1ccccc1	408743389	SNFOETAISFAPRE-WQLSENKSSA-N	428.231	5.707	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1	408787739	FOPVVZHDJDJTMW-RCCKNPSSSA-N	444.462	5.127	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408798283	VVRIPZMBXZVWRS-YBFXNURJSA-N	448.309	5.990	50	40	IKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2sccc2C)c(Br)c1	408922874	HFQFEEYJXHOHIV-YRNVUSSQSA-N	440.160	5.436	50	40	IKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc2c3c(cccc13)CC2	409136115	SGXURYUTZHUHCG-OPEKNORGSA-N	429.372	5.629	50	40	IKGB	
N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	3619673	SUIHBOMXPJPOLU-SFHVURJKSA-N	446.284	5.576	50	40	IKGB	
CCCCOc1cccc(-c2cc(C(=O)NN=C3CCCCCC3)c3ccccc3n2)c1	4651591	BQKZDEPFVXUUNC-UHFFFAOYSA-N	429.564	6.521	50	40	IKGB	
C/C(=N/NC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)c1ccc(Cl)cc1Cl	9850067	XZVXCZMVOPCGIU-VYYCAZPPSA-N	438.314	6.421	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1cccnc1	22002294	KEINPKXLNMZKHM-FQEVSTJZSA-N	438.453	5.041	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3O)cs2)ccc1OCc1ccccc1	22078420	WJXMSTCKGYOMFX-DEDYPNTBSA-N	440.524	6.167	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1	30738518	PEFJUZUGYKELQB-RUHLTXABSA-N	430.504	5.050	50	40	IKGB	
CCCCCCCCCCCCCCC/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	33354107	STMHTFVAOGGVJT-LFVJCYFKSA-N	448.564	6.700	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCc1ccccc1	33584404	DJVQKTUEUUWALD-GRSHGNNSSA-N	431.404	5.155	50	40	IKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(Cl)c(Cl)c1	58927874	BFIJHFHYONGGOL-DNTJNYDQSA-N	432.170	5.139	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1cccc2ccccc12	59334651	ZYIRJQUWUORWAX-NDENLUEZSA-N	434.923	5.466	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C(C)C	223598372	YDCJEESAOTYAEF-ISRVBRPNSA-N	435.999	6.695	50	40	IKGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c(C#N)c1C	408546269	FSBFLJJIXHGXHT-AWNIVKPZSA-N	433.316	5.130	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408566733	BAEZIMURSSNOOM-PDGQHHTCSA-N	426.451	5.092	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)ccc1Br	408746334	YMLYUTTUKSENEI-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408755342	KKWBIEBLGILZDY-SSDVNMTOSA-N	427.938	5.452	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1F	408792118	ICMZGAJOLGNFSY-CPNJWEJPSA-N	432.451	5.055	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1	408839023	LSIFBHKQOBICPM-CVKSISIWSA-N	442.544	5.635	50	40	IKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(CSCc2ccccc2)cc1	408997565	HFUZAJNWCAXUSS-WSDLNYQXSA-N	429.339	5.239	50	40	IKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1	713487	HZROCXBZMPPRIW-HXUWFJFHSA-N	443.856	5.664	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1C	3139369	OMHFEMJYVNXEQY-RWPZCVJISA-N	425.532	5.144	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)c(OC)c1	3275399	AUKNBIPHPTWENB-LQKURTRISA-N	446.547	5.479	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	8812101	BUUYZNLHODNNBY-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1cccc(C#N)c1	9202247	ZNYJJVFCBGXZLE-RWPZCVJISA-N	447.922	5.262	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C)c1C	9457479	GOYRMDGRNDIIET-PDGQHHTCSA-N	437.590	6.204	50	40	IKGB	
Cc1cc2cc(CN(Cc3ccccc3)C(=O)[C@H](Cl)c3ccccc3)c(=O)[nH]c2cc1C	13998734	FSEGNWXZYKZZQF-RUZDIDTESA-N	444.962	5.654	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1	59447405	UHOFSNKLBRWVDC-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC	408569516	OIQJPSOZRISSCT-ZSOIEALJSA-N	442.288	5.492	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c2C)cc1	408761496	FDVNJQKYBSMSBV-QFEZKATASA-N	448.617	5.509	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1	408783272	NKQIOSNZIZKCLE-NKFKGCMQSA-N	433.511	6.007	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)o1	408789611	MXIYGYKFLKCGLA-SFQUDFHCSA-N	431.448	5.496	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408791767	CCLJQFMRICPREB-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	409223885	GJXQCDWYSGUMNB-SLTFVWKPSA-N	440.591	5.725	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	409233438	SFCNQKXWPYMEOK-PYNDNQFYSA-N	427.342	5.411	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	1452669	BAIKEYDRADLVKJ-OBGWFSINSA-N	440.528	5.545	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc([N+](=O)[O-])cc1	2304637	JAMYSTWXPONKGD-HYARGMPZSA-N	436.471	5.701	50	40	IKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C\c2ccccc2OCCN(CC)CC)cc1	8615971	AKPUHHBZYLTHCT-DAFNUICNSA-N	435.612	5.192	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)cc1C	13174515	OOBUGYQIYPIGKN-JOCHJYFZSA-N	449.601	5.166	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1	38680120	MULGNBQSALRYLW-NRFANRHFSA-N	434.854	5.225	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1Cl	59197645	RPGMEBMTXRPSDR-WYMPLXKRSA-N	449.359	5.797	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(C)c1	59201450	QWHGHHIZMILUEP-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12	239165262	NUFQCYGMDGDPAI-UPWFSPPHSA-N	446.956	5.615	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	408526390	BUXAUYOSZHCYLE-ODLFYWEKSA-N	436.309	6.137	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c1	408567398	DMJDARMWGZHLDU-ODLFYWEKSA-N	428.467	5.350	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408808912	GVDYTSCNGHSZBH-MHIQDMOBSA-N	425.576	6.176	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	408889347	CTNWHLAAKIOGFP-XMHGGMMESA-N	446.890	5.504	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C	409000875	NMLRDNZDIXIYSN-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409056230	LFQVJBJSJLVXSU-UDWIEESQSA-N	432.907	5.739	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409211850	KITJWMQPKPSQTK-ZHZULCJRSA-N	438.443	5.879	50	40	IKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc2sc(C)nc2c1	3172937	LDQXPLDCAXCHBQ-UHFFFAOYSA-N	426.570	6.819	50	40	IKGB	
CCCCCCCCCCCOC(=O)c1cccc2c1-c1ccccc1C2=C(C#N)C#N	3200740	DEYQKTULXLOIJX-UHFFFAOYSA-N	426.560	7.204	50	40	IKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3c(F)cccc3Cl)CC(=O)N2C1	9693312	OMVKWOIURFNGBG-CYBMUJFWSA-N	448.350	5.660	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/C(Br)=C/c1ccccc1	9948632	YSCLCUWUSVPMGG-BXDBGKDWSA-N	435.321	5.270	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1C(F)(F)F	16184150	VQADSDIICYIDJF-UVHMKAGCSA-N	426.463	5.659	50	40	IKGB	
CCc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98043371	MKZMONGFFNPKKP-CVEARBPZSA-N	441.119	5.240	50	40	IKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cc1	108208132	CPAIKYSEJHYLLP-XFFZJAGNSA-N	443.071	5.144	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc3ccccc3c1)[C@@H](C)CC(C)(C)N2C(C)C	223592377	WVLXEYQCJCSXQC-CGKHLXHRSA-N	427.592	6.413	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(F)c1	408798766	WVPJQRKCOVUHBX-CIAFOILYSA-N	430.479	5.576	50	40	IKGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cccc1[N+](=O)[O-]	408875336	JPSVDLNMWSWLLT-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1ccccc1F	408876074	JDVRJLKCVAIVBV-UDWIEESQSA-N	448.925	6.323	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	409193004	HWZJWGMFOLDGKT-QRQIAZFYSA-N	427.935	6.178	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1	1903436	XUNFGVCVMIENKL-XMHGGMMESA-N	433.533	5.543	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cn1	13943569	FJCHJGQNZMXHSL-LFIBNONCSA-N	427.420	5.121	50	40	IKGB	
CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	17113499	VTURRRCJOHJXRB-SFQUDFHCSA-N	434.477	5.260	50	40	IKGB	
COc1cc([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	19852052	PMCATLCUCZFUHZ-VAXXYWNWSA-N	444.579	5.348	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl	59336172	RCWKBRDDUMCGRV-WTKPLQERSA-N	446.515	5.661	50	40	IKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc(OCc2ccccc2)cc1	59417065	FQNJCSLYIJFICM-YZSQISJMSA-N	431.517	5.039	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccncc1	59679207	ABYWVBKSKDFQHW-UFFVCSGVSA-N	436.718	5.006	50	40	IKGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	100703062	CVOAUNDHUPBQKK-QGZVFWFLSA-N	437.348	5.559	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccc([N+](=O)[O-])c1	107632068	QCXHCOPEIRXWLT-IWIPYMOSSA-N	429.479	6.815	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2Cl)cc1	207155135	KWSWSMOKEGWPCT-STZFKDTASA-N	432.907	5.151	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1Cl	408692112	DRNXSQKCNXZFMP-RPPGKUMJSA-N	429.351	5.272	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)ccc1OCc1ccccc1	408719587	GSSCTMQYUSOAOJ-JHKMYFMNSA-N	434.561	5.046	50	40	IKGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	408847657	UAKZGTIEOPGQAJ-XQXQFYKFSA-N	438.314	5.409	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)SCCS3)o2)cc1Br	409270019	NTACDGRPYVFJQX-RGVLZGJSSA-N	439.400	5.054	50	40	IKGB	
C[C@]12C(C#N)=C(c3ccccc3)C=C(c3ccccc3)C1=C(c1ccccc1)c1ccccc12	1601596	XTNILCNQOGYDCC-XIFFEERXSA-N	433.554	7.834	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)ccc1OCc1ccccc1	3089298	QPTUQFCPZYGLGB-AYQSFACRSA-N	448.588	5.436	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1	9144694	ZVCBJOIZDWXSIV-KGENOOAVSA-N	443.369	7.304	50	40	IKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	12555854	MWWQVDVIYLHPOM-TWKHWXDSSA-N	447.538	5.739	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1	15910859	KCVWIHRHKZJSQY-FCDQGJHFSA-N	445.522	6.711	50	40	IKGB	
O=C(CCl)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1	16956858	ZVZBULZZZNLOLG-UHFFFAOYSA-N	447.322	5.633	50	40	IKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	28215835	WNBOFNDUADGSMN-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1	33374785	RBKQMSJIDGQXQH-IWIPYMOSSA-N	436.559	5.458	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc(OC)c1OC(F)F	96130164	GDOPEZSNRWYQOZ-IZZDOVSWSA-N	428.218	5.402	50	40	IKGB	
C[C@@H](Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527414	NUABQNAXVHFXIT-UWTATZPHSA-N	426.998	5.509	50	40	IKGB	
O=C1OC(=O)[C@H]2C(c3ccccc3)=C3C(=C(c4ccccc4)[C@@H]12)c1cccc2cccc3c12	104155588	PWWQKKUDVUKTRA-HNRBIFIRSA-N	426.471	6.004	50	40	IKGB	
Cc1ccc(/N=C(\C(c2ccccc2)c2ccccc2)N(CCCl)CCCl)cc1	104333330	QYWWTPQVXUFNDH-AZPGRJICSA-N	425.403	6.637	50	40	IKGB	
ClC1=C(Cl)[C@]2(Cl)[C@H]([C@@H]1Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)[C@H]1Cl	104354459	BCYGJIZALPHWRM-CPQZEERCSA-N	442.211	6.169	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408538909	REVSECXADJQXET-SFQUDFHCSA-N	447.362	6.507	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(F)c1	408549194	QODGXJJXTPNMSK-KSEXSDGBSA-N	443.905	7.284	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccccc1Cl	408725612	MQXPQVZOCYTJSF-JWQOIGTNSA-N	440.971	5.594	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1	408787685	DQDUXIMDUYKWIT-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1	408790819	ZDRNAXYFALSRDB-RCCKNPSSSA-N	444.462	5.127	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)COc2cccc3ccccc23)c1C	408967627	RHKHCFUQGATXQS-QRQIAZFYSA-N	425.532	5.339	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C	409021805	ZHNWUBJAXUMATM-ZRGSRPPYSA-N	449.894	5.264	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C	409024793	WUFUIMDVURPJSX-ZRGSRPPYSA-N	440.330	6.219	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc2ccccc2c1	409203937	ZIQWPCUKORWVQB-OYKKKHCWSA-N	436.467	6.400	50	40	IKGB	
CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1	409368075	MSYHOSQYLGKQEE-QFIPXVFZSA-N	435.593	5.315	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]12	9145017	TYGIHYJGPZHSCL-VWEWBFCZSA-N	431.539	5.403	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	13590165	BMSGORSMZNNZCD-QQXSKIMKSA-N	441.443	5.051	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)c(C(C)C)c1	33690716	YJWZZISMRIIXCG-JRPJTBFMSA-N	428.532	5.542	50	40	IKGB	
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(Br)c3cnc(Cl)nc32)CC1	169811453	OSQDMXXINHBHBJ-BETUJISGSA-N	444.877	6.353	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc2ccccc2c1	408542954	MFSFTTHMLZUBKQ-QRVIBDJDSA-N	435.483	5.491	50	40	IKGB	
CCOc1c(I)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1OC	408598856	KMXWYBYNXBWFEC-AUWJEWJLSA-N	439.680	5.416	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408742832	SWVCAVOPNLCSGW-KEBDBYFISA-N	425.923	5.756	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1F	408794165	ICVGESHPDLBFKH-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2C)c(C)c1	408935780	NRLQBOOABHECJA-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1	647868	CMZPVZIOKSRSBC-HSZRJFAPSA-N	434.923	5.351	50	40	IKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C)cc1[N+](=O)[O-]	9313314	IZQRILSYEJLUAE-CPNJWEJPSA-N	448.548	6.210	50	40	IKGB	
N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	9327488	OKXLBOUQENLTMY-UKTHLTGXSA-N	426.295	5.278	50	40	IKGB	
N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	16526083	UFTFQOKOINQQGF-SXGWCWSVSA-N	438.464	5.545	50	40	IKGB	
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1	58917391	JNECVZCSCCFOSI-KOHNQOKBSA-N	445.563	5.186	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1	59432690	RVNFSCLLJRKWAS-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1	220922939	ZWJUWCGVRMHETE-WBVHZDCISA-N	437.656	5.293	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc21	223516150	GJMWCRUUBNNXCP-JJFYIABZSA-N	449.602	6.414	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)[C@@H](C)CC(C)(C)N2C(C)C	223589405	OEXXSDSBZXZSQD-BYEGDDEQSA-N	446.422	6.566	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1	408570422	UVSGJGAMJIWEKZ-MFOYZWKCSA-N	433.870	6.007	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1	408580239	NFGOFGSPEWJTMC-HYARGMPZSA-N	430.334	7.790	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)c1C	408788184	BRVIRTVFPPNNOD-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	409043612	SCBJWTOYVNPGHU-VXLYETTFSA-N	439.298	6.853	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	409211632	MEUTZAOIESGYTF-HKNSOBRKSA-N	441.380	5.422	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1	409266469	XBFSOSGMHHHCAC-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409368981	VYYNCUPLZWFKAB-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1Cl	409389485	BIWDHMCUVKUNKW-NVMNQCDNSA-N	428.290	6.784	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1	11853106	ZVOHSSJFYLDZIC-DHZHZOJOSA-N	435.267	6.141	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1C	28216018	XPDPTBBUQPXSRL-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
COc1ccc(Cl)cc1-c1csc(/C(C#N)=C\c2ccc(Br)cc2)n1	35351207	TZEQILYZOYEVSM-JYRVWZFOSA-N	431.742	6.299	50	40	IKGB	
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102859727	BVEFOGYSOVHLRZ-JOCHJYFZSA-N	447.516	5.123	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	223506393	FMZXMCKEIAZBGS-VYYCAZPPSA-N	439.987	5.588	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC)c(Br)c2)c1	408745354	MCUILQSTRJNPSH-ZSOIEALJSA-N	449.732	5.446	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	408809250	RCYMRCPKKCAIDW-RVDMUPIBSA-N	441.712	6.217	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408853964	UMZOTTCQNIENMG-KBKYJPHKSA-N	428.319	5.348	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1ccccc1F	408870159	SBAQHGFHUIANSB-RGVLZGJSSA-N	448.925	6.241	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1ccccc1F	408877316	UQJORZYDUSIYTH-LICLKQGHSA-N	438.861	5.763	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1	408963361	NNEKQBOTVUDGQS-CCVNUDIWSA-N	442.437	5.365	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1cccc2ccccc12	409065356	KXJVBHGVJHQCDS-TURZUDJPSA-N	445.562	7.610	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)ccc1Cl	409147518	ZZNJMIXVXYNWSY-DHRITJCHSA-N	445.302	5.123	50	40	IKGB	
CC1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C(CCCC2=O)N1	723770	YWRMVTCAQYWAQO-QHCPKHFHSA-N	439.342	6.064	50	40	IKGB	
Cc1cccc(C(=O)N(C)[C@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)c1	2570494	TXXXMYCTJUGSOF-SANMLTNESA-N	429.456	5.373	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccco1	9127831	GBAPBSXYWZDQAI-LJQANCHMSA-N	429.339	5.260	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	9327404	VJIJREPHWYAJDQ-IBGZPJMESA-N	449.297	5.862	50	40	IKGB	
CCOc1ccc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	19851720	HUUWSLPHLZNUNY-LJFZDNNRSA-N	444.579	5.350	50	40	IKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4ccccc4c3)o2)cc1Cl	44950416	TVBWTWCAWYNPMU-MZJWZYIUSA-N	433.895	5.324	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	59266548	UBCFNCRBQPOXIF-STZFKDTASA-N	432.907	5.151	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	59334127	IBBSVJGUHHJRSX-ZDLGFXPLSA-N	425.315	5.721	50	40	IKGB	
CCCCCCCCCOc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	101433217	TZOIYVMFBCQVEO-NCELDCMTSA-N	425.529	5.878	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c(C)c1	216048045	CYGBYCKIUJPGCQ-MUFRIFMGSA-N	427.523	5.447	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2Cl)cc1	408541554	GQVUHOHHCDEAIQ-JMIUGGIZSA-N	438.310	6.643	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C)cc1	408725597	LAPWNGSQMJNBSY-UCQKPKSFSA-N	426.516	5.745	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408990386	XIWJANQSBNYERT-AUWJEWJLSA-N	449.732	5.364	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c(Cl)c1	409053752	OZSUXBZQMOEWOA-RPPGKUMJSA-N	431.294	5.784	50	40	IKGB	
Cc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1	409218842	HOEHNGXOODCPNH-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1OCC	409332512	GVACXAYJVQABKZ-IMRQLAEWSA-N	432.520	5.217	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	10315714	ZYVKEWYFVMYZJQ-VULFUBBASA-N	444.362	5.492	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	96476414	MFDGRMDIEHWBNA-SXGWCWSVSA-N	429.303	5.258	50	40	IKGB	
Cc1cc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)c(C)cc1Cl	100295735	UQFWYIQBXGFENR-NASSWSRMSA-N	436.846	6.085	50	40	IKGB	
CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc2c1NC(=O)O[C@@]2(C#CC1CC1)C(F)(F)F	195983520	SFKCIHFYAYBXNU-LJQANCHMSA-N	445.941	6.457	50	40	IKGB	in-vitro
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(Br)cc1	408543668	PUUFFFHCTYXDNP-WJDWOHSUSA-N	447.288	5.807	50	40	IKGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408719422	DUHZGBGJBASSPH-FNVGFWRISA-N	440.568	6.050	50	40	IKGB	
COc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	408735655	VSZOJAUVMJPYJY-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408830231	OWUQAKMXTMJPEQ-HAVVHWLPSA-N	426.516	5.909	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2)c1	408894273	HGYRFPNUNWVWCO-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
O=C(N/N=C/c1ccc(O)c(Cl)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409030747	FMZHZSKKVSZCTB-DHRITJCHSA-N	448.935	5.677	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC(C)C)cc1	409038593	ACDBRINUOYDFKO-LZYBPNLTSA-N	447.318	5.360	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1O[C@@H](C)CC	409251721	VVXKNFDJRHSGLD-XWXBZMLMSA-N	426.944	5.700	50	40	IKGB	
Cc1ccc(-c2csc(N(NC(=O)NC3CCCCC3)C(=O)Nc3ccccc3)n2)cc1	1415249	UJUVOBDJEYOJDC-UHFFFAOYSA-N	449.580	5.704	50	40	IKGB	
Cc1cccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1	1805049	CVARMJWYXHMYLT-PTNGSMBKSA-N	430.445	5.110	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1	33776508	DISVTDXOPYAOQM-OCKHKDLRSA-N	439.298	6.853	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	34719575	MECGZGOHLALKMS-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(OCc2ccccc2F)c1	34771299	XQXHMDLKHPZTEW-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCCC)c1	96399862	PCLYJQSAIGXLEG-ATVHPVEESA-N	432.442	5.829	50	40	IKGB	
CC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)[C@H](Br)[C@]12C	123184832	WYNYTPSUJSFJAQ-ZVPCKFNKSA-N	446.311	7.192	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21	208449867	BCRPDFYUWAREDU-MFOYZWKCSA-N	440.374	6.479	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2C(C)=CC1(C)C	208525077	FYXVYXRSRZZRIT-MTDXEUNCSA-N	426.564	5.571	50	40	IKGB	
O=C(Cl)/C=C/c1ccc(OCc2ccccc2Cl)c(I)c1	226333660	PEHCAVFPFRCUAY-SOFGYWHQSA-N	433.072	5.302	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1Br	409363017	UDRFXJKUXXZBSN-ODLFYWEKSA-N	436.309	6.137	50	40	IKGB	
O=[N+]([O-])c1ccc(/C(=C/c2ccc(Cl)cc2Cl)S(=O)(=O)C(Cl)Cl)o1	1565723	DDMHWJJTZZQSMT-WZUFQYTHSA-N	431.080	5.169	50	40	IKGB	
C/C(=N\NC(=O)c1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2Cl)c1	8456179	ONNHJKQMRKSGQY-STBIYBPSSA-N	441.918	5.900	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1	9281887	YBJXVIUFYKGKQY-QGZVFWFLSA-N	427.291	5.000	50	40	IKGB	
N#C/C(=C\C1CCCCC1)c1nc([C@H]2C=C3C=C(Br)C=C[C@H]3OC2=O)cs1	28465135	YGNZJNYMXCVOBU-VCEMYFSSSA-N	443.366	5.414	50	40	IKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1C=C(c2ccccc2)C=C(c2ccccc2)O1	68564766	GSUFBNUYXHVDIK-GDLZYMKVSA-N	434.475	6.482	50	40	IKGB	biogenic
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408789064	NVZFMDOLWOGVQC-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(F)cc2)cc1	408796084	DIKSZSNPBQOMLK-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc(Br)cc1	408813887	YTJVBKBKLBLDJM-TZCXJDQJSA-N	440.385	5.459	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Br	408885206	YITUHTDEYJJRRO-CJLVFECKSA-N	445.360	6.148	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408887697	SNAZFHJHMCTXHF-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)c1	408995062	IJONOWLHQQEUNR-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409047171	NHPSEVUKJJUZNG-BSQCVSGTSA-N	431.363	5.849	50	40	IKGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SCCS1	409224140	IWZOKNZHSIUSLF-ZMOGYAJESA-N	444.025	5.379	50	40	IKGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1	409224853	LAAJKLHIUZCBBP-YNZRRKDCSA-N	439.298	5.376	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1	409233631	GXDKMCTZUWQNID-PDGQHHTCSA-N	439.437	5.667	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)cc1Cl	409345424	ILSLJRMKLHPRJP-BHGWPJFGSA-N	446.732	5.233	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	1782602	TYOBTHNCFDOUQV-ZUSSYJGPSA-N	438.527	5.823	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1cccc2ccccc12	8812485	AOXLGRUPIFMQCG-OCSSWDANSA-N	435.502	6.054	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/C(Br)=C/c3ccccc3)n2)cc1	9425740	PTVNGMXAPNZPLK-RSDLIPIESA-N	437.362	6.552	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc2ccccc2c1	18173313	MTPJJFSEXQNZFU-GHRIWEEISA-N	433.294	6.952	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	32194070	OWROXLPNTRTTGS-RPPGKUMJSA-N	444.413	5.093	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)Nc1ccccc1	59535898	DMAVFFJZJJVVNR-LGJNPRDNSA-N	437.330	6.152	50	40	IKGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(Cl)cc1Cl	101410697	MWXWEWYMRIRLDP-UVTDQMKNSA-N	426.259	5.028	50	40	IKGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c1	105052649	QBKVVSWPPMJTER-MXAYSNPKSA-N	429.303	5.345	50	40	IKGB	
CC[C@H](C)n1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21	408552212	IBDAYTLDJMLQOT-WLSWZUKCSA-N	428.561	5.970	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccs2)cc1-c1ccc2ccccc2c1	408724454	KONCJAGICUWNBJ-WPWMEQJKSA-N	436.540	5.826	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1	408745548	NSSSSZRJDWHEJW-UVTDQMKNSA-N	437.839	5.453	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(-c2ccccc2)n1-c1ccccc1	408783062	JRUJTMMCQZTNNA-JWGURIENSA-N	437.930	6.652	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1cccc(F)c1	408877380	RDSMHIRFTFDVTA-RGVLZGJSSA-N	448.925	6.323	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc(Cl)c1	408881952	NBOQSDJQZMOHSN-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1C	408966295	LEZNCQIYEXNQGT-RDRPBHBLSA-N	438.575	5.828	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(=O)O)c2)c1C	408989282	UBINNEWLJIXTAM-ODLFYWEKSA-N	433.895	5.300	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1	409041050	IAYOWKHXWGQCQT-VCHYOVAHSA-N	425.271	6.545	50	40	IKGB	
O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)Nc1ccccc1	409063538	MGVOPBOOWDPMHJ-RPPGKUMJSA-N	435.846	5.370	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2)c1	409255679	IGOLGZJPZFNXCH-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)c1	409267942	XBANSKVPWWDBTR-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc(Cl)cc2)cs1	2201782	MDEUJFNMEQCDFC-FMIVXFBMSA-N	434.721	6.342	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3SC(F)(F)F)n2)cc1C	2302864	OWMGLNUBXFUNCW-LFIBNONCSA-N	431.508	7.015	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1cc(C)nc2c(C)cccc12	6134320	WWYPLQGAIMOAPN-JFLMPSFJSA-N	443.572	5.646	50	40	IKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1	9296170	SEVJPSGFVZGMRL-DEOSSOPVSA-N	448.906	5.241	50	40	IKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	9334952	QSQCLOKLEJROHW-OBGWFSINSA-N	435.549	5.983	50	40	IKGB	
CC[C@@H](C)c1ccccc1OCCCOc1ccccc1/C=N/NC(=O)c1ccncc1	9425520	FSXXOGXBESKKJA-WDMWBOBFSA-N	431.536	5.207	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc(C)cc1C(C)C)c1ccc2c(c1)Nc1ccccc1S2	12563265	GJKAYMGBAKERRB-MTDXEUNCSA-N	445.588	6.246	50	40	IKGB	
COc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OC	35362779	SOLZDUYHHXEMOJ-QRQIAZFYSA-N	440.499	5.200	50	40	IKGB	
c1ccc(-c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	100637933	OYCKHQZZPHQVCQ-UHFFFAOYSA-N	429.523	6.848	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12	102674317	TYGIHYJGPZHSCL-OIIADRAWSA-N	431.539	5.403	50	40	IKGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(O)CCCC2=N1	104148450	CGDJQJKIAWFZMG-NRFANRHFSA-N	449.601	6.006	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC(C)(C)N2C	208233288	QUPKJSIAIMSBEE-MBBOSUJBSA-N	442.390	6.570	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408579906	LHPDREXBBNXQFF-NTUHNPAUSA-N	441.152	6.617	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408583594	VQPNSDHLMSWKKP-RCCKNPSSSA-N	449.528	5.234	50	40	IKGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)sc2c1CCCC2	408740631	CQHNZALYOFGTKZ-RCCKNPSSSA-N	430.573	6.275	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc2ccccc12	408893620	GHPZAVNLQGKWRI-SFQUDFHCSA-N	443.846	6.207	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)cc1	408996279	HCQZFJPYUGFDRG-PTNGSMBKSA-N	439.334	6.047	50	40	IKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(CSc2ccc(Cl)cc2)cc1	408999822	SMCPGEYQFGYUGV-SSDVNMTOSA-N	449.757	5.752	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)C(=O)Nc1ccccc1Cl	409067351	COJZUCAIYUHEIM-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	409202270	QIRLJNJPYRXEDB-AUEPDCJTSA-N	449.315	5.194	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1	409256671	MWTNBWNSYACESA-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(Cl)cc1	409393888	SWJDJYOLZREMND-UCQKPKSFSA-N	447.937	7.249	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccco1	1424950	UHBKXQUZCHQNJO-OGLMXYFKSA-N	433.467	5.602	50	40	IKGB	
CCOc1cc(Cl)c(Cl)c(/C=N\NC(=O)COc2ccc([C@@H](C)CC)cc2)c1O	10059283	NNHCWGDDOCFSBU-ADUFUACUSA-N	439.339	5.140	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	20764320	DYVVDJVBDPCUAH-DHRITJCHSA-N	430.335	5.564	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	108251540	RMNLHINBMFIRAE-MEFZMRIGSA-N	433.335	6.033	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)cc1	408579533	HJKRJMIPMQIVOP-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C	408746558	FEJKGNGZFUAMSG-ZHZULCJRSA-N	448.364	5.965	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(F)cc1	408807015	NWTBGVHOUASQHF-FWMOMEHNSA-N	436.527	5.405	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1C#N	408807379	COTMEHBGSAMEJT-UVVIUPSJSA-N	443.547	5.138	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408814394	PJCJMKRQSARXPH-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1	1814130	VMQKZXIQDYXGCU-WJDWOHSUSA-N	444.472	5.418	50	40	IKGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(SCC#N)O1	2229947	ZYNSBNLGBBGWLE-QGZVFWFLSA-N	437.348	5.716	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1	4090793	FZYGEQRSCOJBQW-QGOAFFKASA-N	427.891	5.594	50	40	IKGB	
O=C(N/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1ccsc1	4109001	IZMDQAZSXAXMLE-FOKLQQMPSA-N	440.981	5.420	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1	8812354	OZKRLTNDENJAHB-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
N#C/C=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	33681449	UJAWVFGBNXRJEM-OWOJBTEDSA-N	438.075	5.236	50	40	IKGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)F	103528808	MYYJMGGFQXAHTA-REOHCLBHSA-N	441.981	5.211	50	40	IKGB	
N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1ccc(F)cc1	408778026	OSNSSGBBKZTFNI-CYVLTUHYSA-N	432.951	7.290	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2ccccc2o1	408857702	VYHUJJVXCJZANE-LQNQUEJISA-N	443.506	6.353	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC(=O)c1ccc(C)cc1	408887527	PBFLJLAOSJWYHW-XDHOZWIPSA-N	446.890	5.422	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccc(Cl)cc1	408892872	DJJYFJDDUUEJJT-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)Nc1ccc(Cl)cc1	409046828	KUXKHKGIJRJHDL-PDGQHHTCSA-N	432.863	5.163	50	40	IKGB	
CC/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(OC)c1	409124004	GIJGLRSLNZTQHJ-HAVVHWLPSA-N	441.380	5.174	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21	409390011	BMOMCVMFIVDOQF-KBVAKVRCSA-N	446.554	5.713	50	40	IKGB	
Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCC3)c3ccccc32)c1	781527	BVBNZFCKDJZXKL-LTGZKZEYSA-N	427.548	5.303	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1O[C@H](C)CC	2162443	YGVDZBPAFRRCMB-AKBIMGJMSA-N	430.504	5.926	50	40	IKGB	
O=C(NCCSCc1c(F)cccc1Cl)[C@@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	3170895	NCVIVOSGWPPIEQ-KDOFPFPSSA-N	446.802	5.588	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Br)cc1	3212211	ULVPIBGMWAWSJX-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1	6148453	GOKKHNAQGDMGCL-XSFVSMFZSA-N	449.551	5.988	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)cc1OC	9289509	VCNHSKWXMCBMFC-AFLDOIPMSA-N	446.507	5.134	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccc(Cl)cc1	15013747	SPKKZPGCBFKWLD-LFYBBSHMSA-N	427.081	5.283	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccccc1Br	34849065	XFPZPNZTZMAWEL-AQTBWJFISA-N	426.358	5.213	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1C	59202174	ZCUKZDLSSRPULH-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC	59255658	NMTMLTOVXUARPL-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2[C@@H](C)CC1(C)C	223573286	JWWXUABQVWDODQ-WEPAEKJRSA-N	432.395	6.178	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	408580367	OXXZWRHCYKODNE-DEDYPNTBSA-N	432.907	5.739	50	40	IKGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1	408707103	GWCOZFJASURWAH-UBXTYJAUSA-N	448.954	5.028	50	40	IKGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408728693	RNVMYNJAIYATPH-NVJOKUIPSA-N	443.856	5.643	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1cccc(F)c1	408864879	AVFBKIFGNGHMNU-DEDYPNTBSA-N	449.323	6.033	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)c1	409007878	RCDJIAIZOUZUHU-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(OC(F)(F)F)cc1	3167482	RGJDPPRRPVCEHO-UHFFFAOYSA-N	439.462	6.800	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1Cl	9693223	FSVRIPZSWGUKKB-KRWDZBQOSA-N	430.360	5.521	50	40	IKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@@H](c4cccc5ccccc45)CC(=O)N3C2)c(C)c1	12251044	MTYXPDWIZOKBAL-HSZRJFAPSA-N	439.584	5.985	50	40	IKGB	
CC/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1	12599679	BXIIZYGHTWHUIB-LHLOQNFPSA-N	431.586	6.133	50	40	IKGB	
O=C(O)c1sc(C(=O)N/N=C/c2ccccc2O)c(-c2ccccc2)c1-c1ccccc1	16491817	ASWHXAFUBMDFHW-CVKSISIWSA-N	442.496	5.250	50	40	IKGB	
Cc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	33931089	ACGNYMNMKPFWAP-OYKKKHCWSA-N	440.341	5.258	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408804383	FGJDTSUVWWCLQM-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(N2CCCC2)o1	408854895	KKVRUCKDXNDZCU-LCYFTJDESA-N	434.721	5.150	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Cc2cc(C)cc(C)c2)c1	408877524	WQNWKUJSCWJTKF-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)c1	408893032	FATALSFSHZSVIK-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1	409014756	JBQNKFPQZLYVFH-CFRMEGHHSA-N	445.009	5.953	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	409269936	BIORAPKQCDNHMM-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
CCOC1=CC2=C(C=O)C[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	4758137	GAVOLJDFJHUYGO-SPMVGMIDSA-N	442.596	5.138	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1	8400544	QXBVSMUHKLUIHJ-UCQKPKSFSA-N	438.552	6.770	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccccc1	10060118	BBKXXBGOBOSJKO-CVKSISIWSA-N	436.895	5.030	50	40	IKGB	
CCOc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC	19648234	JWNJZGYKYFQTBK-BVZFJXPGSA-N	448.950	5.632	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C#N)cc1	33556387	FTVRWBSHSOGWON-YQYKVWLJSA-N	445.522	5.958	50	40	IKGB	
ClCCN(CCCl)c1ccc(/C=N\NCc2nc3cc4ccccc4cc3[nH]2)cc1	50704673	NSUMSKPINMLHNB-YSMPRRRNSA-N	440.378	5.124	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1	59335088	JKBGISVKDLQETO-STZFKDTASA-N	430.479	5.658	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nc2ccccc2[nH]1	59596800	UHQKBPSCYIUMCV-SFQUDFHCSA-N	443.337	6.937	50	40	IKGB	
O=C(N/N=C/c1cccnc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	107764849	ZIHDJZYQJIGNNM-NJZRLIGZSA-N	442.522	5.970	50	40	IKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1	108991579	ZFQNQNPTDXFADR-AFUMVMLFSA-N	425.469	5.880	50	40	IKGB	
CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3	118936450	VXOZCESVZIRHCJ-KTTDFKJLSA-N	428.657	6.474	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	252492093	MCHSXRCZCIRXNF-RCCKNPSSSA-N	428.488	5.792	50	40	IKGB	
O=C(COc1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408527352	MZXPZPMEKXKLQP-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)cc1	408548240	FBEDKBPLQDDFCN-YSMPRRRNSA-N	449.506	6.580	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408833337	UGGJFEDWXYTCOT-WYMPLXKRSA-N	437.908	5.202	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc2ccccc2o1	408851755	FWHQFTGLWDYKFH-VYYCAZPPSA-N	427.891	5.853	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1cccc(Cl)c1	408885921	GWXSVZKRMMLIQM-XSFVSMFZSA-N	432.907	5.782	50	40	IKGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1	408999224	QCERROSZQWLTDQ-MJHSOURCSA-N	439.515	5.321	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2c1	409186444	CAVXANDADRZLFV-BRJLIKDPSA-N	443.286	6.162	50	40	IKGB	
C1=C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2CC1	2171432777	XRWRLCQYMANFCW-UHFFFAOYSA-N	440.526	6.976	50	40	IKGB	
N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)c1nc2ccccc2[nH]1	9209751	IHVOCPBMQYDABK-FYWRMAATSA-N	439.862	5.081	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccn2c1C(=O)c1ccc(F)cc1	12621327	KUGSUHORRSNICK-MCPYDKOMSA-N	443.522	5.220	50	40	IKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc([N+](=O)[O-])cc1	12629801	DUSMFZJRWHUARM-ZHZULCJRSA-N	443.459	5.037	50	40	IKGB	
CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1	20528775	JFMFPEDGIFBDTR-BVZCLVNKSA-N	438.358	5.474	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1	20764685	IPMXFTNHNPKZDW-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
N#C/C(=C\C1CCCCC1)c1nc([C@@H]2C=C3C=C(Br)C=C[C@H]3OC2=O)cs1	28465131	YGNZJNYMXCVOBU-RKDMXIHUSA-N	443.366	5.414	50	40	IKGB	
CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	32522832	CCGWPRRYSZTZCE-HZHRSRAPSA-N	427.595	5.498	50	40	IKGB	
CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl	33875367	WYASYDZQKJDUFT-ONEGZZNKSA-N	427.125	6.270	50	40	IKGB	
CC/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(O)cc1	55420057	IPWLNIAKBOWSFL-RMLRFSFXSA-N	443.547	5.486	50	40	IKGB	
N#C/C(=C/NC(=S)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2ccccc2c1	104304217	DQJXBSBNBFNPBP-VBKFSLOCSA-N	426.328	5.723	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(Br)c3)cc2[C@@H](C)CC1(C)C	223573408	OHLFQXVFKFAAOK-MMDHUZEPSA-N	442.401	5.634	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc(Cl)c1	408598998	NHQDMGOTQHKTOS-QNGOZBTKSA-N	430.334	7.790	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408803821	ATZTUGAUOZSWJM-NTEUORMPSA-N	437.839	5.371	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408822922	MXEJPXQZBZUEJM-LTGZKZEYSA-N	446.934	6.253	50	40	IKGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408853478	UHPFPVLPWARGJB-BRPDVVIDSA-N	433.511	5.229	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	408860476	WMDPSOSMHDOUAV-WOJGMQOQSA-N	434.883	5.510	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	408922960	HXKDDMOWEYLELM-XSFVSMFZSA-N	447.922	5.470	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cccc2ccccc12	409244541	FEMLQVXBWUPOQH-XHPQRKPJSA-N	433.555	5.903	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1-n1cccc1	4063556	DYQNOCPLBIUYEW-TWKHWXDSSA-N	445.522	5.973	50	40	IKGB	
COc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1	8861403	SFCHWKDJRVJLCU-OGLMXYFKSA-N	439.515	5.891	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)[C@@H](O)c1ccccc1	9489280	OGPHWTHINOVPQC-SXFMOBQTSA-N	444.918	5.256	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	13590408	CJEOMUGDAHZTAV-VDQSNYGXSA-N	431.363	5.849	50	40	IKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1	20132929	HJKPXAGTIYSZBY-QMMMGPOBSA-N	440.588	5.604	50	40	IKGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)cc1	26842359	LUOQNDKOFZTAHC-XDJHFCHBSA-N	447.498	5.055	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)c(C)c1	58926917	CMDCXIVBTHJBDS-RPPGKUMJSA-N	444.362	5.547	50	40	IKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473131	BFZGFPZKVHBNLP-OVVQPSECSA-N	431.561	5.232	50	40	IKGB	
N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	100840012	DXWDALHFEDHRRY-MOHJPFBDSA-N	429.548	7.607	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4ccccc4Br)c3C)nc2c1	108230909	WYNXBVLRFZXTAI-PDGQHHTCSA-N	431.337	6.106	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	408540332	QEWAUQVUTJLLKZ-QRVIBDJDSA-N	438.311	5.625	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408735482	SOFPPUPPOGPJLC-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408797740	SOGIXPALAHOAON-SFQUDFHCSA-N	439.298	5.824	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC	408871026	VAYUWQPKIVDDOQ-GZTJUZNOSA-N	441.325	5.131	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2cc(C)cc(C)c2)c1	408900041	SKSMTSKECPDSLI-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1C	408913896	VWVVMPILDJLUBN-OPEKNORGSA-N	444.318	5.171	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)NC1CCCC1	409191942	QTUCQBMPFGJWPU-BOPFTXTBSA-N	443.316	5.133	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)c1ccccc1	409235096	YOHAUZOXUDSWHS-IQJJTXKVSA-N	449.510	5.172	50	40	IKGB	
Cc1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1Cl	1741297	FJSHGRWGBWZOFK-GJZGRUSLSA-N	431.555	5.487	50	40	IKGB	
CC(C)c1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(SC(F)(F)F)cc2)cc1	2561520	TXHUSXOUGQNKSY-PDGQHHTCSA-N	426.485	5.673	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N	2848182	PELSTUYIAHEDDV-KEBDBYFISA-N	435.310	6.517	50	40	IKGB	
CCCNC(=O)N(NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(Cl)cc2)cs1	3768082	FYVCEQPNUCXMIO-UHFFFAOYSA-N	428.945	5.043	50	40	IKGB	
COC(=O)[C@H]1C(O)=NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	9015208	YXWGQTBBURMWKU-RBUKOAKNSA-N	426.925	5.160	50	40	IKGB	
N#CC(C#N)=Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9234349	BPBLYYSCQBZRAO-UHFFFAOYSA-N	438.159	5.599	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1Cl	96476257	NDFKHEMNSWZTKL-ZSOIEALJSA-N	441.270	5.806	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccccc2Cl)c1	408880989	LNNPURKMHMDAKS-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Br)cc2)c1	408937824	PCQVJHQCSYQJMZ-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409198811	FONPBMFINSIZQA-BRJLIKDPSA-N	442.371	5.751	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1cccc2ccccc12	8860943	RDUJXNZQMSLNON-WGOQTCKBSA-N	444.512	5.283	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC	16389949	QEWQHXFISROVPS-VGOFMYFVSA-N	449.732	5.364	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1C	18173236	OBHMXAGWAUKGMX-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3/C(=N/NC(N)=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C	35974080	CQCNMHGZPMKDSP-IXRBZFGMSA-N	445.648	5.259	50	40	IKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	39884470	FELXAWAFFLTSAS-QGOAFFKASA-N	435.321	6.378	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1	59224698	IMIKQNBIFQRDRO-SXGWCWSVSA-N	433.733	5.113	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	59292118	YTDRJZSOCMDUEV-LDADJPATSA-N	440.396	5.969	50	40	IKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473522	WMLCAFCOVHHURX-UVHMKAGCSA-N	448.897	6.415	50	40	IKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(O)=C32)cc1	102594354	NHRBKXBMBOLDMT-DEOSSOPVSA-N	449.019	7.666	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1	107863984	NCQDGHXUMBLEFJ-NVMNQCDNSA-N	438.842	6.039	50	40	IKGB	
Cc1cc(N2CCCC2)c(C)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	408553584	OKNCQFUQURSPPC-CPNJWEJPSA-N	430.577	5.261	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)[nH]c2cc1C	408758904	ULCWOVQUJIWCTJ-XSFVSMFZSA-N	445.526	5.837	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC	408815868	VLNKTDGOHBRYIA-GDNBJRDFSA-N	445.288	5.097	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)cc1	408816556	UBNNJRHDNZRZGP-FZVPUQAXSA-N	438.955	5.529	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408874536	DJJSVVXXRVXNHO-BSQCVSGTSA-N	431.363	5.849	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)c2ccccc12	408913819	UGRUIRMEOBCVKL-TURZUDJPSA-N	432.564	5.809	50	40	IKGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1	408983240	GOGXJQVAWMVSNV-MOSHPQCFSA-N	446.938	5.560	50	40	IKGB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409044961	DWSUFKMXTXRCHP-MKMNVTDBSA-N	434.279	5.482	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)cc1C	409263548	HNZUVPMDNCWUEM-DEDYPNTBSA-N	443.478	5.006	50	40	IKGB	
O=C(CSc1ccc(/C=N/NC(=O)c2cccc(F)c2)o1)Nc1ccc2ccccc2c1	3085300	UJHRZJVBBCYEER-VULFUBBASA-N	447.491	5.067	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1	4196132	HCODLMGHILPJRJ-UYRXBGFRSA-N	433.305	5.574	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3Cl)c2[C@@H]1c1ccc(OC2CCCC2)cc1	8382656	FCQUPBNOUBMJHK-HXUWFJFHSA-N	432.911	5.270	50	40	IKGB	
COc1ccc(/C(C)=N\NC(=O)c2cc3cc(Oc4ccccc4)ccc3[nH]2)cc1OC	12843345	RVKRSKYMYJEXFL-YUMHPJSZSA-N	429.476	5.131	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	28216062	WQFOUCVPAJWMRZ-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1	33406754	BVIZJEOSTXOLPQ-GRSHGNNSSA-N	437.326	6.427	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	59160635	KJYUMRIRCUUOGM-LQKURTRISA-N	432.564	5.913	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1Oc1ccccc1[N+](=O)[O-]	59475438	YNRZAIPAVQTZCB-WGOQTCKBSA-N	441.443	5.313	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	59535972	BXMWAQRTHWYONI-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1)c1ccc(Br)cc1	408581453	WYRXWFSXSUZTEL-XDHOZWIPSA-N	434.289	5.790	50	40	IKGB	
CCc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	408935363	DODIRKZAVSUASW-MXAYSNPKSA-N	438.915	5.164	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)cc1	408937218	NGZLBHUTTLBFIS-MOSHPQCFSA-N	446.890	5.251	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc(C#N)cc1	409369455	OCUUYKVHBJGIEO-JJFYIABZSA-N	440.300	5.836	50	40	IKGB	
CC(C)CCCCCOC(=O)CCSSCCC(=O)OCCCCCC(C)C	4758260	LIZUJZXUWGTFLF-UHFFFAOYSA-N	434.708	6.667	50	40	IKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1	8692082	JIUOFWOOWFTSGM-VEHBCUAPSA-N	437.543	5.676	50	40	IKGB	
CCCCCCc1ccc(OCCOc2ccccc2/C=N/NC(=O)c2ccccc2)cc1	8916223	GIBPVYBSEFHWME-QUPMIFSKSA-N	444.575	6.031	50	40	IKGB	
N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	13775529	FBSMNBYMNFIHII-FLIBITNWSA-N	441.170	7.400	50	40	IKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	28217335	DBHGNCDIGGRDCN-BRJLIKDPSA-N	446.403	5.952	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1	59116708	KNQVTLCTIMOQML-ZHZULCJRSA-N	432.907	5.863	50	40	IKGB	
CCCCCCCCCCC[C@@H](Br)[C@@H](Br)CCCCC(=O)O	100302762	SWFMDFRDYDMKQK-SJORKVTESA-N	442.276	7.079	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	107743772	XPGVZIKUWILJFU-LGJNPRDNSA-N	439.298	6.179	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc(F)c1	408746613	TXADGKZMZFZMBH-BKUYFWCQSA-N	430.479	5.658	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	408787694	DYRULCLABOXUCL-PXLXIMEGSA-N	449.466	5.873	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1	408788144	BILCOJJHLGMSEE-XQNSMLJCSA-N	438.914	6.618	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC	408853572	PSGFKSNCHJUURA-QRVIBDJDSA-N	427.298	5.086	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)c1	408888210	TXUOXBWUKXXWPW-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409022736	RIFARJDHYVCFLQ-UUYOSTAYSA-N	432.954	5.090	50	40	IKGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409040436	XSUMFXFEWCEXAK-JVWAILMASA-N	429.907	5.718	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	409377719	JDMFXHNUBDDAEB-ZDLGFXPLSA-N	427.335	5.497	50	40	IKGB	
N#C/C(=C\c1ccc(COc2ccc(Cl)c(Cl)c2)o1)S(=O)(=O)c1ccccc1	13322262	FYKFXZFEPQLQLV-VCHYOVAHSA-N	434.300	5.504	50	40	IKGB	
CC(C)N1C[C@H](COc2cccc3ccccc23)O[P@]1(=O)N(CCCl)CCCl	105385716	WKAGVXBUKRAMFF-KWMCUTETSA-N	445.327	5.216	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC	107952188	MHMYHBLHGNIJCF-YBEGLDIGSA-N	438.325	5.662	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	209487338	ZKOVCBASGOMMJY-CIAFOILYSA-N	438.354	7.344	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1	408534656	WHHUDKRDOWJXBE-STZFKDTASA-N	434.333	6.491	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1ccc2ccccc2c1	408552835	VZMXVIBGXZKFEW-MSXFZWOLSA-N	439.898	6.835	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408724694	DODQXGZFLSHFMI-MOSHPQCFSA-N	443.459	5.118	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C)c1	408735513	TXJGUWDECCRPDQ-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21	408806558	BGWHBWJOHOYRGD-GZTJUZNOSA-N	435.911	5.020	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)ccc21	408912842	SGNLRUCMEDQBCK-TWKHWXDSSA-N	447.538	5.201	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1	408927023	ZIKYGTBSFYWRSG-XSFVSMFZSA-N	430.891	5.722	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)c(C)c1	409070894	MIBQSEYVQOQHQS-XKZIYDEJSA-N	426.472	5.126	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1O	1453969	SQTKBPGNIWRLLG-FMIVXFBMSA-N	432.785	5.870	50	40	IKGB	
COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	2280910	IBWFEQMMSQYNQY-KAMYIIQDSA-N	435.892	5.555	50	40	IKGB	
Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(CCCCl)=N2	3198955	NYJRKLNLQGVRFE-UHFFFAOYSA-N	425.760	5.580	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1ccc2c(c1)OCO2	6445722	KEWRWIUMNHRRCA-JOCHJYFZSA-N	440.503	5.071	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccc(Cl)cc1	9972351	CUKBOKAXDLUPTF-AQHIEDMUSA-N	428.102	6.324	50	40	IKGB	
CN1C2=C(C#N)[C@@](c3ccccc3)(C(F)(F)F)N/C(=N\c3ccccc3)N2c2ccccc21	12644782	IHLMPMCXWFKINC-DEOSSOPVSA-N	445.448	5.427	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC	22079045	AZBJPSMLWHBBRH-UUILKARUSA-N	425.699	5.600	50	40	IKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1C	59249724	CPUFZUOCGXLDNX-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1	223513410	QFMVLGQFDRMSEC-UCQKPKSFSA-N	427.592	6.513	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1cccc2ccccc12	408545198	ZUORCYYXFNVTSX-IWIPYMOSSA-N	435.479	6.190	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(Br)c1	408604656	VYBVRBRULHCICP-MHWRWJLKSA-N	429.314	5.038	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1C#N	408791342	WEORCDRZEMLMEA-YDZHTSKRSA-N	437.499	5.308	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)C)cc1	409211255	NGQGLXNMUNQHPD-VULFUBBASA-N	440.012	6.113	50	40	IKGB	
Cc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1	2698578	NXUQYFCECJSCDL-UFFVCSGVSA-N	449.026	5.035	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c(OCCC)c1	4863454	LWYJPXODZMXAMH-YZSQISJMSA-N	426.557	5.091	50	40	IKGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccc(Cl)cc1	16035479	HKTAHKQTPCSUBC-OQLLNIDSSA-N	445.737	5.364	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(C(F)(F)F)cc1	408544121	UUYSJZYIEHHRPC-WJDWOHSUSA-N	436.389	6.064	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)c1	408587610	SJSQEKMWULVEGQ-JAIQZWGSSA-N	439.342	6.642	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1Cl	408588868	KGLCMOLKTXVIAL-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(N2CCCC2)cc1	408675764	AGLLNVYHJGWNAY-BUVRLJJBSA-N	425.941	5.448	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c(O)c1	408740217	JIMGKHIDZXVFBI-CVKSISIWSA-N	438.959	5.063	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1	408746765	GUAXZIIMCDAVCG-ULJHMMPZSA-N	426.564	5.164	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(F)c1	408795178	KKOIVPIQHIAHSF-FYJGNVAPSA-N	430.479	5.658	50	40	IKGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409036380	VWGGKRRDJQMVRW-OGLMXYFKSA-N	439.902	5.331	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1Cl	409051855	NOLFPIQUPMIFNB-RPPGKUMJSA-N	431.294	5.784	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)Sc3ccc(C)cc3)o2)cc1	409110946	AISIWEGAVSBZLI-STPJHCLOSA-N	436.533	5.063	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Cl)c1O	409371591	IJYCFJJTFFFYMT-QPEQYQDCSA-N	425.653	5.113	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC	409387152	NWOTYTNGPPOCTD-LFWZTCNZSA-N	430.888	5.045	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl	661004	HBYSZFVWNZDOFR-QFIPXVFZSA-N	439.298	5.496	50	40	IKGB	
N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1	2204361	JVVAJJXWOMVOLV-LUAWRHEFSA-N	440.277	7.112	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C)c1C	2264879	VZIMNXYFUSFIEF-GDNBJRDFSA-N	427.526	5.781	50	40	IKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C/c2ccccc2OCCN(CC)CC)cc1	4758146	AKPUHHBZYLTHCT-NJNXFGOHSA-N	435.612	5.192	50	40	IKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9075546	KFPUAYNZLXSXED-SDNWHVSQSA-N	444.343	6.270	50	40	IKGB	
Cc1ccc(COc2ccccc2[C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	9282447	JQODLWXAKUEHSY-HSZRJFAPSA-N	434.499	5.182	50	40	IKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	9353397	GIIIGJJSIUOKTR-PKNBQFBNSA-N	440.277	7.112	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1	12284882	XTPPKVUMQLNUMP-YVLHZVERSA-N	425.315	6.724	50	40	IKGB	
C/C(=N\NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1	13809954	NJZFSDWUBCXCID-VULFUBBASA-N	447.749	5.423	50	40	IKGB	
N#CC(NC(=O)CSc1ccccc1)=C(Sc1ccccc1)Sc1ccccc1	26841258	IBDUAWWOSJOJOW-UHFFFAOYSA-N	434.611	6.172	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1C	28216218	WLOGVZIKCNRBIT-DHRITJCHSA-N	425.985	5.607	50	40	IKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1cccc(Cl)c1	59101876	NPDISDCFBYNESM-WPWMEQJKSA-N	443.890	5.114	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1	408581257	VMYWEXPQNCNMFK-KGENOOAVSA-N	446.934	6.129	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1	408583202	SIYCXDSITFFGAN-XDHOZWIPSA-N	438.296	6.240	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	408707146	HEWJDEIVXAVZAJ-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12	408766976	XYGKBZRHWGYUKV-HAVVHWLPSA-N	434.495	5.973	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1	408801065	RMVXGLBSJXUIHY-LDADJPATSA-N	435.911	5.310	50	40	IKGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408823845	FOIQKURERINZDN-LTGZKZEYSA-N	442.902	5.477	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408870912	XJAKFQOSMRCIFT-OEAKJJBVSA-N	426.516	5.457	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1	409063334	KSFFRHXLJNKCRD-XDJHFCHBSA-N	448.906	6.103	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)NC1CCCC1	409192100	AAPUOEOECXQEGA-SXGWCWSVSA-N	449.765	6.192	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc(F)c1	409392955	OKJXUWBGORCQSR-ZDLGFXPLSA-N	442.715	6.885	50	40	IKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1Br	409393422	XCVPDVSZSSHKJZ-GDNBJRDFSA-N	425.330	5.244	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl	13147573	CFEGNFIAIQWMFV-XDHOZWIPSA-N	444.339	5.911	50	40	IKGB	
CC(C)(C)c1cc(/N=N/NC(=O)c2cccc(Br)c2)cc(C(C)(C)C)c1O	26442343	GBRFRNXOVKEVLL-UHFFFAOYSA-N	432.362	6.178	50	40	IKGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cccc(Br)c2)cs1	96751830	JJVKMWJRTHMPKA-XFXZXTDPSA-N	445.273	5.596	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	408539588	IGROCCHXKHBPCG-CPNJWEJPSA-N	426.944	6.162	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1	408759697	JWLAGBHJFLLXJT-UYRXBGFRSA-N	433.305	5.574	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc2ccccc2c1	408772812	RNLMRBFZNYDMGU-NHDPSOOVSA-N	434.923	5.512	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(Cl)cc2)c1	408806215	MEBPZACQUJBIJC-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1c(Cl)cccc1Cl	408894553	IOYAXPFZSKIPCC-GHRIWEEISA-N	437.282	5.758	50	40	IKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1	408987838	YZEXJGOTZRBIQL-KGENOOAVSA-N	430.935	6.390	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1	409011797	HTJDFTCTRAHGQG-BUVRLJJBSA-N	437.521	5.169	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1[N+](=O)[O-]	409249806	OWEYQENCYMSQPL-DHDCSXOGSA-N	441.365	5.728	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1	949278	HZKDUJQYKVPFNT-GXDHUFHOSA-N	430.813	6.473	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCc1ccc(Cl)cc1	1439521	BHQPQWHQEMATSD-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
COc1ccc([C@@H](Nc2cccc(Cl)c2)P(=O)(c2ccccc2)c2ccccc2)cc1	2163347	CCNUWDIKBVXYTF-SANMLTNESA-N	447.902	6.473	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	3660187	ZFAHRYJOTHQGBT-VUTHCHCSSA-N	438.527	5.510	50	40	IKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)n1	4107005	URDWUERZBVXADJ-VULFUBBASA-N	449.624	5.041	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1[N+](=O)[O-]	28217573	GJNONUHENMZNAE-BHGWPJFGSA-N	445.306	5.381	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N/NC(N)=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C	118914799	CQCNMHGZPMKDSP-MQRKSDRASA-N	445.648	5.259	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)nn2-c2cccc(C)c2)cc1	408727873	YJCGUZFIRQLPPS-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br	408742405	QWKACMVLNWYSAM-UFFVCSGVSA-N	428.113	5.085	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1	408744827	NJGUJQFXGUYAAR-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3)c2)c1	408760397	YATHEYTUDQFGFA-KGENOOAVSA-N	428.488	5.219	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	408797712	SNPBAGMWUSRSHO-SDNWHVSQSA-N	441.270	5.586	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C	408814407	PEPMHDMALZAJLC-XDHOZWIPSA-N	438.358	6.563	50	40	IKGB	
N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1F	408878901	DORCCARHUVJOKZ-LTGZKZEYSA-N	440.905	6.769	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	8860982	ASUZAJDUZPDOGZ-TZJHSTFESA-N	431.492	5.406	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1	8969694	JDIIMUNMMTTXLY-CVKSISIWSA-N	430.895	5.073	50	40	IKGB	
CSc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	9693293	WOIJGXOZNCVDTI-GOSISDBHSA-N	442.009	5.590	50	40	IKGB	
Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3cccs3)c3ccccc32)cc1	9762895	NIQOEZFQLCJIPD-HMMYKYKNSA-N	441.556	5.314	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)o2)ccc1Cl	14134603	DISABULNGRPIPL-VULFUBBASA-N	438.911	5.086	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2C#N)c(C)c1	20194999	DMCKXKNYMUIQLV-RWPZCVJISA-N	431.923	5.100	50	40	IKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)cc1C	27025936	BDJPHDNOGXMUMG-OQKWZONESA-N	440.547	5.166	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OC(C)C	109015834	CWGDNVAQKHSTLB-LSHDLFTRSA-N	447.900	5.023	50	40	IKGB	
Clc1ccc(I)cc1-c1nc2cc(CBr)ccc2o1	226317938	JONHMTHCTVRIQG-UHFFFAOYSA-N	448.485	5.648	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1	408745823	VTWHUNLOLYRVKO-PDGQHHTCSA-N	437.902	5.831	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	408796940	ZQDWLWJFNNCQPX-PXLXIMEGSA-N	449.510	5.330	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c1C	408809230	KTPZPELAEFUJDX-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)c1	408868278	PHDWXZXWQQHCML-UDWIEESQSA-N	449.323	6.033	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	409223251	GIJYOJHKHPGLOU-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc2ccccc12	409316245	LTZUOQUQQAFVBT-STZFKDTASA-N	430.334	7.790	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	409363659	LWPXHGVMWXMUHE-YUMHPJSZSA-N	436.939	5.183	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1C	409391001	GRAJGPMRINFXLH-WKULSOCRSA-N	444.966	5.771	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCc2ccccc2)N1	6077283	VFJVCSXGHVNUCL-DEOSSOPVSA-N	438.556	5.350	50	40	IKGB	
CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	17113507	XTMVKDPGJMXUMA-SFQUDFHCSA-N	434.477	5.260	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	20764332	XJFUSKUHLWVHOQ-DHRITJCHSA-N	430.335	5.564	50	40	IKGB	
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc([C@H](Cl)C(F)(F)F)c1	21487032	HTNJHEQGWYGACT-IBGZPJMESA-N	442.757	7.174	50	40	IKGB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)cc1	23402366	GYIBLEVCVSDUEO-AZJLSSPBSA-N	440.543	6.204	50	40	IKGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)CC1	36611209	UICWIDNJBCVUGM-UHFFFAOYSA-N	440.437	5.737	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC(F)F	96398848	OWICQJXBGATMJT-LGMDPLHJSA-N	436.414	5.635	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1	103741887	QVZQTCCYRDQFQN-LFVJCYFKSA-N	447.373	5.658	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	105070703	DRDIHPDKGYCTBA-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c(OC)c1	107846742	VSWCPGZXLQZCOI-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	109636243	RPIMQMGITVWWKP-XSFVSMFZSA-N	442.943	7.060	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(C)cc1	408568905	LKJFODZWTKZQDU-NVMNQCDNSA-N	447.897	6.316	50	40	IKGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccccc1	408743721	XQRMFAPURCOCLP-JAIQZWGSSA-N	434.499	5.283	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Br)cc1	408819221	ZXIAUVSZEQCNPF-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408827742	MBUFCDLPMWETEU-CPNJWEJPSA-N	448.906	5.482	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2C)ccc1OCc1ccccc1	408831510	QUQHJTSVZHDJDN-JVWAILMASA-N	448.588	5.356	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C	408851773	GAUHSGXPRUVXPY-UNOMPAQXSA-N	447.922	5.554	50	40	IKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408968042	TYVDUWOPWHZHNK-AUEPDCJTSA-N	429.236	5.019	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC(C)C)cc1	409043877	BCCCAGHBBARPDA-CXUHLZMHSA-N	433.335	5.973	50	40	IKGB	
N#CC(C#N)=Cc1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409192193	VKWGRWWQLOKQIO-UHFFFAOYSA-N	443.275	5.268	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1F	409249540	UROCGHZLTIGNHI-CCQQXMDGSA-N	437.518	5.922	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)[nH]c2c1	409393241	WIOMPILLHFJRIB-SXGWCWSVSA-N	437.330	6.350	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccs1	2726962	VEFXCOLAQHXREK-DJKKODMXSA-N	441.759	5.672	50	40	IKGB	
CCC/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1	15910969	LPFKCXYVRHOWNG-BYNJWEBRSA-N	427.935	6.489	50	40	IKGB	
O=C(N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1	30817700	HGNOIELBWZIIGX-ROTLSHHCSA-N	447.705	5.630	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1C	59202169	FESPRRDBTFJKKI-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
O=C1c2ccccc2[C@@](c2ccccc2)(N(CCCl)CCCl)N1C1CCCCC1	104392152	YDOZDOATCNLSGI-DEOSSOPVSA-N	431.407	5.456	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408567309	CWJMPPDRZXNGHS-BOPFTXTBSA-N	437.434	5.677	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccc(Cl)c1	408599526	VRVNOPPVBNVYKG-WOJGMQOQSA-N	437.757	7.714	50	40	IKGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1	408707100	GWCOZFJASURWAH-FLOSOGMCSA-N	448.954	5.028	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3)cc2-c2ccc3ccccc3c2)c1	408725975	REJZYAOQLUVSMV-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2cccc(Br)c2)cc(C)c1OCc1ccc(F)cc1	408855510	FXUAACUTFFWVBO-CIAFOILYSA-N	436.324	6.848	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1	408870480	FFZSPDKXMUUNEV-DEDYPNTBSA-N	449.323	6.033	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc(Cl)c1	408922740	GHBNMRLBOWBWLR-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(C)n1-c1ccc(Cl)cc1	408924683	NPEKHABELACZSC-WYMPLXKRSA-N	438.940	5.131	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1	1439447	XZJJPYNIIWIOEP-XSFVSMFZSA-N	445.906	5.423	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1	12251032	SHIUKGSPLMAHNF-JOCHJYFZSA-N	449.645	5.971	50	40	IKGB	
COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2ccccc2)c2ccc3ccccc3c2O1	12467050	QJYIHLPYWMWVOU-RUZDIDTESA-N	432.479	5.538	50	40	IKGB	
COc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	19852058	PMCATLCUCZFUHZ-LJFZDNNRSA-N	444.579	5.348	50	40	IKGB	
CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)[C@H](Cl)c1ccccc1	20568265	FACLABHYUAMSDP-ZEQKJWHPSA-N	438.398	7.141	50	40	IKGB	
CCCCOc1ccc(/C=C(C#N)/C(O)=N/c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	27563334	KXYKYFINOIQIDZ-LDADJPATSA-N	448.504	6.092	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc2ccccc12	33595595	CVNQMGMMICINMA-BKUYFWCQSA-N	443.905	7.284	50	40	IKGB	
O=C(Cl)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1	41127443	NPIPOENSMJTGBV-UHFFFAOYSA-N	426.697	6.232	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)cc1	100239447	MCTCGGSPWMSDDI-SRGKZIGPSA-N	427.548	5.842	50	40	IKGB	
c1ccc(OP(Oc2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104207033	BENDPLPREJQGDO-UHFFFAOYSA-N	448.502	6.504	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	109379749	JDUMINQOINPNCW-YBEGLDIGSA-N	432.348	5.268	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1C#N	408742189	NSLCNDXZZWOAGJ-JAIQZWGSSA-N	443.890	5.345	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2cccc3ccccc23)cc1	408819846	UJJJBNOWRGAZJT-UQQQWYQISA-N	448.522	5.651	50	40	IKGB	
O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408848510	XAKMAYNKVVRUFB-AFUMVMLFSA-N	433.920	5.571	50	40	IKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	408869003	QQSPRYQIMBIUCY-NTEUORMPSA-N	449.226	5.026	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc2ccccc2c1	408900871	YIFFVHHDQTURGQ-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C	408904495	KIVMKQRKIGUUNR-WGARJPEWSA-N	444.491	5.383	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC	409032428	BZPLYXOFUREIEV-CEUNXORHSA-N	435.527	5.793	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)cc1	409255146	YFGPMNSDQJVUKB-DICXZTSXSA-N	428.479	5.858	50	40	IKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccccc1OC(=O)c1ccc(F)cc1	1253858	WDEDKKYPNGUAFP-OAQYLSRUSA-N	442.471	5.478	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2c(ccc3ccccc32)o1	8437560	OTCFSWCRMBRLCQ-WKIKZPBSSA-N	449.293	6.917	50	40	IKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	8843134	PTJAZXIKQWDAHO-REMUQMNCSA-N	433.360	6.025	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/C(Br)=C\c3ccccc3)n2)cc1	9434152	PTVNGMXAPNZPLK-IKQUTSCTSA-N	437.362	6.552	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1	20197576	RBFLAKTZIMTLGU-OGLMXYFKSA-N	425.532	5.551	50	40	IKGB	
COc1ccc(/C=N/N(C(=O)c2ccc(C)cc2)c2oc(-c3ccccc3)nc2C#N)cc1	27026979	VKJYXDNMIRFNQD-OGLMXYFKSA-N	436.471	5.211	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(OC)c1	59473638	WSSAAORNMAPLFL-AFUMVMLFSA-N	440.952	5.413	50	40	IKGB	
CCCCCCCCC(O)(CCCCCCCC)C(=O)NN(C(=O)OC)c1ccccc1	97951047	KIPPAKIVQJFRTQ-UHFFFAOYSA-N	448.648	6.523	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)ccc1Cl	252494025	NISUVIZONIYNTA-SFQUDFHCSA-N	434.879	5.631	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408591570	UXUFKZVPQRIJDM-DHRITJCHSA-N	430.335	5.102	50	40	IKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1Cl	408598603	FLQLMWUUEKNVNB-LICLKQGHSA-N	439.371	6.934	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1	408753487	MYTFEVGWLPRJLF-UYRXBGFRSA-N	444.874	5.307	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1ccccc1F	408880621	GGUGWGUQRQWXBJ-UDWIEESQSA-N	445.450	5.269	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409073693	RDQVKGSVQMKVQZ-CIAFOILYSA-N	433.891	6.080	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)sc2c1CC[C@@H](C)C2	1260318	CCNQURKMAPXPBY-XYGUXCPDSA-N	447.560	5.087	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	3232178	SQYPKDMQTUULDL-LICLKQGHSA-N	437.282	5.758	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(F)F	3332528	UYCYISWBSJNBPL-IZZDOVSWSA-N	446.759	5.514	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C	14134567	ZAONFLGDUASNEL-MZJWZYIUSA-N	441.358	5.882	50	40	IKGB	
CCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	33348216	LUGJSVCPGCHWQH-VEILYXNESA-N	439.515	5.463	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(OCc4ccccc4C#N)ccc4ccccc34)[nH]c2c1	33704133	KVPMWHUJTMIIBB-HAHDFKILSA-N	440.506	6.539	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc(OC)c1OC(F)F	48331565	GDOPEZSNRWYQOZ-WDZFZDKYSA-N	428.218	5.402	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cc(Cl)ccc1Cl	59117376	KGURNPAEMIPXCG-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	59201610	LAKIAGSRESHSDR-MHWRWJLKSA-N	429.314	5.101	50	40	IKGB	
COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1	100296438	JIDLQCXCZWKOJI-SDNWHVSQSA-N	427.913	5.466	50	40	IKGB	
CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	101144894	NHWQTCYMFSIJBH-RQZCQDPDSA-N	429.303	5.502	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC	408568133	IBJPECIXCCINAF-ZSOIEALJSA-N	442.288	5.492	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cccc(Br)c1	408590259	OKORQDBNNRZRHZ-CVKSISIWSA-N	446.348	5.774	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1Cl	408722944	ORGWJPKSXVIHON-NUGSKGIGSA-N	428.102	6.324	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1Cl	408724658	DHMCTKJLLXJGHP-ZHZULCJRSA-N	432.907	5.863	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)o1	408725928	MFASZJLNGBEPPI-LSHDLFTRSA-N	433.689	5.140	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl	408733832	AWJVFIGWYNAGDR-MDWZMJQESA-N	442.258	6.016	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccccc1Cl	408896513	RMYVNBIATQQIDX-XSFVSMFZSA-N	432.907	5.782	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C(F)(F)F)c1	408962345	HPMFWDKSGVRQBB-MRUKODCESA-N	427.209	6.036	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccccc1	409072764	KWXDBCMYUSSUGX-QGOAFFKASA-N	440.318	5.281	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl	409366081	YSYWFMQJNUEIFL-UVHMKAGCSA-N	445.906	5.144	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(F)c1	409393877	SUZOULGLFNMRKX-IUXPMGMMSA-N	432.709	7.429	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1	4209578	CNWKOJMCOOCERU-VULFUBBASA-N	448.931	5.846	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1	9359613	USSIWPLULLTBHV-QGZVFWFLSA-N	441.318	5.390	50	40	IKGB	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	13942678	IJGOYECUAALYSL-LCMCWVSWSA-N	444.531	5.474	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)c1	28216305	DDYVJNVOFZWYCQ-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
Cc1noc(C)c1COc1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	29648637	DHTWDLUXKFGBJO-UHFFFAOYSA-N	440.714	5.588	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C	59104086	BKOFRZVSLZCXGE-AFUMVMLFSA-N	438.369	5.491	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	100843768	KUXXQEJYHIKSNN-SDNWHVSQSA-N	449.885	6.858	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\NC(=O)c5ccncc5)[C@@]4(C)CC[C@@H]32)C1	118917479	PXMZBKQJYAKCCM-UCHHOASYSA-N	449.595	5.062	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc21	223480027	AXOFZCQGHYBJNZ-RHANQZHGSA-N	441.575	5.779	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1	408566481	GTIWCMMSCOWHTQ-MFOYZWKCSA-N	444.422	5.262	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	408580061	MVCBPJRNMGYSHH-CIAFOILYSA-N	438.354	7.344	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(Cl)cc1Cl	408580230	NDNVBSUSHJIQBN-CPNJWEJPSA-N	448.324	7.929	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc2ccccc2c1	408676367	HRNOPOCYBHDWTM-VUTHCHCSSA-N	436.559	5.611	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Cn1cnc2ccccc21	408691607	IFHYRDKHALNAAC-ZROIWOOFSA-N	449.264	5.574	50	40	IKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccccc2)c1Cl	408814466	PNXBOBDGQNRWLM-WYMPLXKRSA-N	446.290	5.271	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)cc1	408872861	KHHKFKWPNWDOJW-RCCKNPSSSA-N	431.333	5.894	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C)c(C)c1	408882551	PAFAEASSULZNHZ-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(C)c1	408906477	BUWPTNKCIHOOGM-RDRPBHBLSA-N	439.559	5.480	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	2775889	SJDWRSSPBZIPGA-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1Cl)NN=Cc1ccccc1OCc1ccccc1	8399502	AKXBRENUGVKPJE-UHFFFAOYSA-N	428.319	5.135	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1C	13174437	WQWJQHPYWPTOQU-QFIPXVFZSA-N	433.533	5.538	50	40	IKGB	
C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C	35849672	RHNFCIPJKSUUES-FMJOPOJPSA-N	436.680	7.642	50	40	IKGB	biogenic,in-vitro
CO[Si](CCCCCCCCCCCON1[Si](C)(C)CC[Si]1(C)C)(OC)OC	198066016	SIHMGSYWXLSJPU-UHFFFAOYSA-N	449.857	6.033	50	40	IKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408796642	OOVUYKSXGBLSTI-RCCKNPSSSA-N	442.902	5.477	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OC	408983085	KGBSSSMFFCRIHE-AUWJEWJLSA-N	449.732	5.364	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	408990357	KTUZTXGNVQLZKE-RVDMUPIBSA-N	436.880	5.340	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)NC1CCCCC1	408999092	KANYHJXEJAVKOT-GXDHUFHOSA-N	433.733	5.718	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2o1	409066984	OKQYLMQEGVKVOM-FOWTUZBSSA-N	436.876	5.313	50	40	IKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1cccc(Cl)c1	409109867	MXIRIJGQTCHKHX-FMCGGJTJSA-N	446.315	5.817	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1	409366280	ZPJVEFKHKWFLCB-YUMHPJSZSA-N	436.939	5.183	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)NC(=O)N1	409367925	OEKUWOZPHQXHQM-IBGZPJMESA-N	430.335	5.750	50	40	IKGB	
CCO/C=N/C1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)O1	9846573	DXAFIBWRASZINF-XEVLUGQISA-N	428.488	5.010	50	40	IKGB	
N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl	18154914	BUDKXFIKWCULNO-UKTHLTGXSA-N	437.226	5.143	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1	33560328	REINNYOQGHFKGY-NHDPSOOVSA-N	448.906	6.599	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1	58951594	DGYNCGWXQPFUBG-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
FC(F)(F)[C@@H](Br)[C@@](F)(Br)Oc1ccc(Br)cc1	97437820	SJJGACJBVGTRLW-YUMQZZPRSA-N	444.842	5.172	50	40	IKGB	
CCCCCCCCCCCCN1C=C/C(=C/C=C(\C#N)C(=O)OCC)c2ccccc21	100672127	ZDNWLWMMEQAVHR-ZFQRDYFNSA-N	434.624	7.338	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1[N+](=O)[O-]	408598816	KAXPUBMTNZUTDH-DHRITJCHSA-N	432.867	5.015	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	408599982	QFTBIRVDTWGJAL-MUFRIFMGSA-N	443.978	6.404	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	408742534	ARAUPFMKDXUCRK-JYRVWZFOSA-N	442.258	6.016	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408789117	OBPSBTJGGBBCON-UKTHLTGXSA-N	431.706	6.761	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1	408795841	MTENDMDEYVJSGI-PXLXIMEGSA-N	426.472	5.072	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Cc2ccccc2Cl)c1	408871334	YQKBNFLHFAZJMZ-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
N#C[C@H](C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1	409204720	JPDHYUVALJTZGO-NXENVEDLSA-N	442.522	5.600	50	40	IKGB	
O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(-n2cccc2)c1	409228302	WYNNCTALLYOXBD-RDRPBHBLSA-N	436.490	5.383	50	40	IKGB	
CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)cc1	9731085	HPNPSYRCUXOWTP-ZXVVBBHZSA-N	431.536	5.598	50	40	IKGB	
CCN(CC)c1ccc2cc(-c3csc(/C(C#N)=C\c4ccccc4)n3)c(=O)oc2c1	16678673	BBRJOARXURMMFR-UNOMPAQXSA-N	427.529	5.827	50	40	IKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(CC)cc(Br)cc2s1	20132973	JBHNZMFYFSBMHH-NSHDSACASA-N	434.197	5.513	50	40	IKGB	
N#C/C(=C\C(Br)=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	27490370	DEXMDANGPZTTKT-XAXODXSJSA-N	427.754	6.806	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	35352328	WPHHVCWIPWUAKJ-MFOYZWKCSA-N	438.842	6.039	50	40	IKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@@H](Cl)c2ccccc2)cc1/C=C\c1ccccc1	68564678	YSMPRUOJLAHKGO-RGISFYSBSA-N	443.286	6.933	50	40	IKGB	
C/C(=N/NC(=O)c1cccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	118935191	RPBOFWLDDKKPSC-FZNOIFRXSA-N	437.628	5.207	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	223495965	YXHVQMGLQTZBGP-CCVNUDIWSA-N	429.486	5.880	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408745385	RFGTYQGVYMKPPD-DHDCSXOGSA-N	431.717	5.521	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408791118	UIOGDTMBILZNOR-CJLVFECKSA-N	440.499	5.385	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1	408859122	WPZFORRPRLHNFP-WGARJPEWSA-N	434.879	5.438	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1	408867859	OEKKKNOUFXBTOF-CJLVFECKSA-N	428.463	5.139	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)c1C	408876167	NGHQVRUKBNFKST-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OC(C)C	409229253	MDBRUNQKLFGRJD-PACYTGELSA-N	443.341	5.029	50	40	IKGB	
CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1	409371107	GBXOHGPAPZSTDX-OAQYLSRUSA-N	439.556	5.146	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccccc1	409374179	KNBLAZDTDBIYLH-UNOMPAQXSA-N	429.907	6.258	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1	949282	PSOYRFBXHDHWFW-GXDHUFHOSA-N	430.813	6.473	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1)c1cccs1	8857212	YRYWUIMWNFUNET-HKOYGPOVSA-N	435.596	7.713	50	40	IKGB	
CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1	9375102	RBCUUBAZHOBRTD-WPWMEQJKSA-N	442.519	5.268	50	40	IKGB	
O=C(N/N=C\c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1ccc(Cl)cc1	9972352	BDFATIYJFAVEQH-BBTJEBRRSA-N	428.879	6.378	50	40	IKGB	
N#CC(C#N)=Cc1ccc(/N=N/c2sc(N3CCOCC3)nc2-c2ccc(O)cc2)cc1	16401297	QUJGLSPEJBWEMB-BYYHNAKLSA-N	442.504	5.198	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	59417836	PISPQPPQLYCDND-UFFVCSGVSA-N	428.113	5.085	50	40	IKGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC	107823381	INEDDBRAZAMYOA-BKUYFWCQSA-N	432.317	6.077	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	223168456	NDGLUSSEPBZIBD-JAIQZWGSSA-N	438.358	5.667	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c3ccccc32)cc1	408570813	YWSNADOHERNWMP-PDGQHHTCSA-N	449.489	5.668	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1	408816437	YTTPVGQMQXUPED-UGAAVYLDSA-N	445.994	6.253	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1cccc(F)c1	408882933	RVPFRJKEBWDKFR-RGVLZGJSSA-N	434.898	5.933	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2c1	408905045	SKTFABYIXVGJCT-FMCGGJTJSA-N	442.313	5.084	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)ccc1C	408972254	OHPPKNWMOPZCTM-UYOCIXKTSA-N	427.740	5.942	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)o2)cc1	409063743	MNYSHFZDQKMJKR-NTFVMDSBSA-N	447.535	5.083	50	40	IKGB	
CCCCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC	685944611	GDUGMTKIWMMVAZ-RELWKKBWSA-N	448.632	7.889	50	40	IKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)[C@@H]2CCCC=C12	1003004	HVZABESBNBCAHI-VGOFRKELSA-N	448.885	5.245	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1	4196404	KXDRZCROCZMBJB-CIAFOILYSA-N	434.333	6.409	50	40	IKGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)Nc1ccc(Br)c(C)c1	9323925	SQDDHCDKJHTZST-ZVHZXABRSA-N	438.325	5.631	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(C)c(C)c2)ccc1OCc1ccccc1	19631982	YHKPYRZQGPDZMY-QEMKNDADSA-N	440.543	5.675	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1	33726367	GTVGBTVMRZAJJY-YSMPRRRNSA-N	436.895	5.030	50	40	IKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1	102882562	VTXJRWMPGIWPIY-HSZRJFAPSA-N	447.560	5.792	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1	408764026	VPOHGDVKPZGQQG-LDADJPATSA-N	432.863	5.113	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408801638	VBVKJSFXXCZGOF-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(C)c1	408850853	SGUYNHLBWYOOKF-VYYCAZPPSA-N	448.906	5.746	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2)cc1	408894280	HHZQNOYZGATQGH-DEDYPNTBSA-N	447.332	5.882	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2ccccc2c1	408966080	YWVGRNLVJCDUAQ-WKULSOCRSA-N	435.449	6.030	50	40	IKGB	
Nc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409031916	BLEZJZYTSPDNJF-KKMKTNMSSA-N	437.330	5.343	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccccc1	409046918	SJPJXFDDIKNYMA-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1	409311176	YLQDGLGRHFHANU-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
O=C1c2ccccc2[C@](c2ccccc2)(N(CCCl)CCCl)N1C1CCCCC1	1695625	YDOZDOATCNLSGI-XMMPIXPASA-N	431.407	5.456	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	1903430	QWGFVIMJUKLFQX-QGOAFFKASA-N	437.952	6.188	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nnc2n1CCCCC2	9373112	OVEXFVPOTIUMCG-HMMYKYKNSA-N	446.514	5.668	50	40	IKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1	9693120	KRPJWEVQKKIKNO-MRXNPFEDSA-N	430.360	5.521	50	40	IKGB	
CCOC(=O)N/N=C(/C)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	12874505	LOLLQHCJUIEECY-YGEGZOLBSA-N	444.616	5.619	50	40	IKGB	biogenic
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1	16606608	JURQRJPIJWMUOI-SFHVURJKSA-N	434.710	5.367	50	40	IKGB	
Cc1cccc2c1-c1ccccc1[C@H](Br)[C@H](Br)c1ccccc1-2	68565036	SOUDCZZCCSUUMO-RTWAWAEBSA-N	428.167	7.215	50	40	IKGB	biogenic
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	408793507	FOWJEKTWICHTAZ-JJIBRWJFSA-N	441.534	6.697	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc(C)c1	408794552	IXZJHWWXOHZLHE-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)c1C	409075911	VHGHGYZTUIVTNB-XKZIYDEJSA-N	426.472	5.126	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl	661006	HBYSZFVWNZDOFR-JOCHJYFZSA-N	439.298	5.496	50	40	IKGB	
Cc1c(/C=N/NC(=O)COc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1	1298814	RTHBYBLFRBCPGO-JFLMPSFJSA-N	431.923	5.181	50	40	IKGB	
CC(C)=CCC/C(C)=C/C=N/NC(=O)COc1ccc2ccccc2c1Br	8721754	RKDAZSLACWMORY-LEORQAMQSA-N	429.358	5.776	50	40	IKGB	
Cc1ccc(OCCCOc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1C	9659846	CBDHIFCBUBVQDA-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(-c3cccs3)s2)nc2ccccc12	16525394	PUGFDQRHGHQCAX-ZVHZXABRSA-N	445.594	6.517	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3C)c3ccccc23)cc1	20765067	SFPWEWAKBVLFTK-OGLMXYFKSA-N	425.532	5.469	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccccc1F	33382941	YSIXYZYKIUNSPV-SXGWCWSVSA-N	443.261	6.684	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1Cl	39884561	BYVABOBAKQFEIN-SDNWHVSQSA-N	427.685	5.908	50	40	IKGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	59336538	RKMJJLIKHULZNZ-ATVHPVEESA-N	441.314	5.288	50	40	IKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1OCc1ccccc1	408757806	CIMBSXICGVPIRN-STZFKDTASA-N	426.472	5.022	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	408808636	JSCOHPXMSLMBLS-DEDYPNTBSA-N	446.890	5.251	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cc(C)cc(C)c2)c1	408895037	LOWCADJIHZOYRT-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
CC[C@H](C)n1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cccc(C)c21	409038594	PMKFMQSDLMOTEN-DVQSINOTSA-N	443.616	6.625	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1	3254484	VIIFTOIESJDBGU-STZFKDTASA-N	428.488	5.137	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1Cl	3288933	SXOAFKBNFJDYMF-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccccc1OCc1ccccc1	3663510	ADHXQCDQIUNTNH-VULFUBBASA-N	448.320	5.273	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(C)c1	9009758	OKFQFTBTAZDERM-LFIBNONCSA-N	444.472	5.418	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc([N+](=O)[O-])cc1	16406829	YXNMOVJNJNWCAZ-UKTHLTGXSA-N	440.209	5.590	50	40	IKGB	
CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	33636244	UCFYZJIJVAAHCV-ONEGZZNKSA-N	427.125	6.270	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2ccccc2-n2cccc2)c2ccccc2n1Cc1ccccc1	71335777	HIPUZTLIZADGHV-CEUNXORHSA-N	432.527	5.553	50	40	IKGB	
FC(F)(F)[C@@H](Br)[C@](F)(Br)Oc1ccc(Br)cc1	97437818	SJJGACJBVGTRLW-JGVFFNPUSA-N	444.842	5.172	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)cc1	408853818	STGYKLMKZIVTJU-DEDYPNTBSA-N	434.898	6.221	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408857120	KXWMUPIUUXQWBB-MSXFZWOLSA-N	436.855	5.166	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1	409189959	OKYDYMHGTMPKQZ-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC1CCCC1	409192407	WWSCEIXQNRDTRW-ATVHPVEESA-N	438.358	5.962	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OC(C)C	409229254	MDBRUNQKLFGRJD-YQYFLZKSSA-N	443.341	5.029	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)c1	409254532	ITKJITALKWEESH-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)cc1Cl	409259359	ZATRXJBJCNCMAA-XDHOZWIPSA-N	445.906	5.212	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Br)cc1	409374195	YNYTZBNDOHGJPJ-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(c1ccccc1)[C@H](Br)CCC[C@@H](Br)C(=O)c1ccccc1	1641192	GOIXPFUGOIGQHG-IAGOWNOFSA-N	438.159	5.450	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccccc1Cl	9411469	CFBSXVDTYIFONC-NRFANRHFSA-N	448.910	5.189	50	40	IKGB	
Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCC3)c3ccccc32)ccc1Cl	15931718	FKMYKODCYLWERX-XDJHFCHBSA-N	447.966	5.648	50	40	IKGB	
CCOC(=O)C1=C(C)c2ccccc2N/C1=C(/C#N)C(=O)CSc1ccc(Cl)cc1	102783517	WGCWNYQEVDKNCV-PYCFMQQDSA-N	438.936	5.241	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Br)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	118931359	USMVITRIRORNNZ-RHCGTSLQSA-N	437.418	5.460	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1	408580152	ANUQKGSIVQCSBQ-UDWIEESQSA-N	432.907	5.739	50	40	IKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408729068	XHUKGYRQXDMOPO-RAWMCFOBSA-N	428.294	5.417	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc(F)c1	408740925	FBJJMXBPXOXOJV-ZDLGFXPLSA-N	436.870	5.612	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408758902	UIZUEKLRNOVQAQ-UVTDQMKNSA-N	435.823	5.256	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2c1	408794262	RTONWDLUHSPQIO-RVDMUPIBSA-N	437.293	5.165	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408850770	QWCOIXAMVJNOCJ-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1cc(C)cc(C)c1	408870134	VDGIFNPKULCPDY-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1nc2ccccc2[nH]1	408991934	PFUSDVPGLQEUGE-FMIVXFBMSA-N	445.485	5.889	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)NCCCc1ccccc1	409243867	VNWCBFYSECJSKN-SDXDJHTJSA-N	439.005	6.209	50	40	IKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	409302554	JGQWCPQOBMYQFE-GOSISDBHSA-N	443.366	5.120	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250046	MBKGJKGUHIFHQW-OAQYLSRUSA-N	429.372	6.212	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	28216422	ONTYRLVWRMCFIY-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1Cl	59117307	OBIKBJHQUAGYLX-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CSCc2ccccc2)cc1	59473346	PRHPFWRXAOTLMS-MZJWZYIUSA-N	428.479	5.903	50	40	IKGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1Br	101346735	VVASUXPWHUOVCF-DHDCSXOGSA-N	447.745	5.394	50	40	IKGB	
CCCCC[C@H](/C=C\[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC	195772836	UOHYGYKCCYPZLJ-VDLIZKSESA-N	428.686	5.498	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC	408582979	QHPMRSAYYVCTFP-VXLYETTFSA-N	440.326	6.654	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc2ccccc2c1	408742960	QVFMGULUQOKDNF-XYGWBWBKSA-N	448.522	6.363	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1	408794820	KEASPPAKFQPFIG-XIEYBQDHSA-N	432.523	6.527	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1	408855533	NUOHJXRUZSOVRC-JLPGSUDCSA-N	435.527	5.321	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1	409362322	IYPSUHROODHVMM-UXHLAJHPSA-N	431.539	5.844	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@H](Br)[C@H](Br)c1ccccc1	1669532	MMOWIUFXIYZUMS-ZIAGYGMSSA-N	446.964	5.532	50	40	IKGB	
O=C(CSc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1)Nc1ccccc1	3090477	TUNUGZWKGZGZKR-FOKLQQMPSA-N	448.331	5.081	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\CC)c3ccc(C)s3)c3ccccc3n2)cc1	8454692	ZKWHKRVGBUECCN-XAYXJRQQSA-N	443.572	6.215	50	40	IKGB	
COc1cccc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1	12952828	JBYCDIWNAXLKCO-STZFKDTASA-N	437.499	5.629	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	15223187	WAWRLALJFIMTIN-MOSHPQCFSA-N	443.459	5.037	50	40	IKGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)cc(Br)c1O)c1cccs1	32118816	DEMQCDRJNFWLHF-SSDVNMTOSA-N	449.757	5.224	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	34903923	XYHJJJLWEMVEMT-AQTBWJFISA-N	433.851	5.373	50	40	IKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1OCc1ccc(Cl)cc1	59201777	MKHMTALTIWJCHV-STZFKDTASA-N	446.934	6.090	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	408539257	UTJOFBCMYYPOQO-HMMYKYKNSA-N	440.971	6.634	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1C#N	408548617	JUESUNKIIWNJQP-DICXZTSXSA-N	430.507	6.753	50	40	IKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1cccc(Cl)c1	408684278	OPPHGCRBCDRGNB-CTNGQTDRSA-N	443.724	5.885	50	40	IKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)c2C)cc1	408745502	MZCQRFWVQXZRQT-JWGURIENSA-N	441.531	5.603	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1Cl	408790826	ZEWXUKFDGXFJRS-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408797525	SITYLHNWAIJEOC-LFYBBSHMSA-N	440.124	5.619	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)c1	408865407	CKQGHZDSNREXSX-ZMOGYAJESA-N	428.963	6.710	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1ccccc1Cl	408880882	KGOFLKQXDNTDAH-OEAKJJBVSA-N	444.962	6.492	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)cc1Cl	409003227	YQTDYOSMKXHQLI-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c2ccccc2n1Cc1ccccc1Cl	409364580	OBFUCGMDHUNXTP-IWRZDRPGSA-N	433.983	5.928	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	9323039	IRRKHZWHGRTAHP-LFVJCYFKSA-N	435.527	5.321	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1[nH]c(-c2ccccc2)cc1-c1ccccc1	12039591	SEHWLJXSELXMCE-JFLMPSFJSA-N	434.326	6.419	50	40	IKGB	
CC/C(=N/NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1cccs1	19646770	MSNQYWYWLZVIMK-HFTWOUSFSA-N	447.991	6.723	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1	58871390	GRVXDHAVMKLZOY-DHRITJCHSA-N	428.916	5.301	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	59201514	WJMSKSHRXQWMLV-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	100071284	HSIVYHSRFNABBB-CJLVFECKSA-N	436.540	6.412	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	108066203	ZVOZOJMUHRCBNB-WPWMEQJKSA-N	442.588	5.591	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl	108272295	BEAXXPXVAWKXNA-MSXFZWOLSA-N	445.306	5.002	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1	223170704	WKDVMLLBYDSJKH-IUXPMGMMSA-N	440.330	5.955	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408539627	IWHIEKDCQSMGKV-HKWRFOASSA-N	440.971	6.634	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1	408784689	RURQECLLXQKAQW-HAHDFKILSA-N	441.531	5.433	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408807314	BSQAATOFYUWOSV-XNTDXEJSSA-N	436.851	5.161	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2cccc(C)c2)c1	408808557	QFGVJQUPYKFXKT-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1O	408847352	UHVONWPODACMHE-VEILYXNESA-N	439.515	5.321	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccc(O)cc1	408881190	IJRRSEAXTIEDSO-XMHGGMMESA-N	433.305	5.291	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	409241094	RBBUCXBMNPVXNO-ZROIWOOFSA-N	441.365	5.728	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	409304528	RTECQXRLXMUWEY-KRWDZBQOSA-N	445.407	5.443	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1	3885212	LMUSDELPFRNPKF-KYCHXARBSA-N	433.766	6.355	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	6055850	LVCJWMNZACZTFX-ZHZULCJRSA-N	445.906	5.423	50	40	IKGB	
CC1(C)[C@H]2C(c3ccccc3)=C(Br)[C@H]([C@@H]2Br)[C@H]1c1ccccc1	71785444	JWRUYWPCMHKSQC-XSYGEPLQSA-N	432.199	6.626	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)[C@@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)cc1	107901199	MCTCGGSPWMSDDI-GGHWTCFQSA-N	427.548	5.842	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)c1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C(C)C	223596869	AKLKZTIQYFLAOG-DUQUIBLKSA-N	437.425	7.322	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Cl)cc1OC	408553301	NQKQAHUPTLJRLY-RIYZIHGNSA-N	441.940	5.105	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1ccc(Cl)cc1Cl	408723689	ZWEAMFMXIGBRPU-LGJNPRDNSA-N	444.318	5.130	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1	408735246	OWWSEERCQBPMPI-XYOKQWHBSA-N	428.231	5.707	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc12	408795951	NRTAELSLYWDNFM-OQKWZONESA-N	434.495	5.973	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408872871	KKSCVRRJQFPXBR-VCHYOVAHSA-N	435.842	5.524	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1cccc(Br)c1	409379707	YNXDCETYUPSUFH-BOPFTXTBSA-N	436.309	5.108	50	40	IKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2C2CCCCC2)cc1	2223024	OTDUJPOLQKVBGZ-WGOQTCKBSA-N	447.608	5.310	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	2311146	ZACJNULGMWOYKF-NRFANRHFSA-N	433.577	5.083	50	40	IKGB	
Cc1nc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	8722098	VJYSLSCSILVIGC-UXHLAJHPSA-N	445.522	6.039	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c1	8811057	PBOBIAHXKSTMOW-JVWAILMASA-N	427.504	5.028	50	40	IKGB	
N#CC1=C(SCC(=O)c2ccc(Br)cc2)N=C(O)[C@@H](C#N)C12CCCCC2	13757242	AKBGCZXAAHYAGQ-OAHLLOKOSA-N	444.354	5.161	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1C	14134605	XAWDAECMAPMCJT-ZMOGYAJESA-N	425.326	5.327	50	40	IKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1	33374590	ABDKIEWHCZZAMZ-JAIQZWGSSA-N	449.304	6.309	50	40	IKGB	
O=C(N/N=C/c1ccccc1Br)c1ccc(CSCc2ccccc2)cc1	58916015	FGLDOMJKNPQFQR-ZVHZXABRSA-N	439.378	5.646	50	40	IKGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917647	YAWGTLSNJQEXQI-RNEKHBLJSA-N	441.506	5.512	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1Cl	59333139	JWUABBFDJCKMHV-XLNRJJMWSA-N	444.966	5.003	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c(C)c1	102560224	CWXMJBNXWJEHGK-ZGQMNJRFSA-N	436.899	5.607	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1	110223753	QCIGUSNKXVGZPH-QNGOZBTKSA-N	428.488	5.219	50	40	IKGB	
FC(F)(F)c1cccc(O[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)c1	253390092	SEUPHXGFZPGUQE-UDTPNQRGSA-N	426.276	5.121	50	40	IKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1	408542001	IVYWZNPTPKTJHG-MTJSOVHGSA-N	448.316	6.099	50	40	IKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3cccs3)cc2-c2cccc3ccccc23)c1	408727990	YZCCFDOUFMLOOG-WPWMEQJKSA-N	436.540	5.826	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1C#N	408792519	KMJFYTIVKZUVFX-YDZHTSKRSA-N	437.499	5.308	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCC)c1	408796749	ZBKCGKRJSSGFMH-CJLVFECKSA-N	442.515	5.609	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	408812551	PAMGFXAUKIKRPU-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl	408848826	WEYRMMGZSUSKEP-WNFQYIGGSA-N	442.096	5.275	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)cc1	408879589	GZZOCMTVUNNWOP-WOJGMQOQSA-N	434.883	5.510	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1	408882826	RCTRZGWUJGYKOR-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2o1	409056134	KVJJBKOAKFSEFI-IZZDOVSWSA-N	434.087	5.426	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1	409186719	GYISEVJGPHSVSK-LSHDLFTRSA-N	425.724	6.155	50	40	IKGB	
N#Cc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc1	3232613	IBVYOQOJQGVMBA-NDZAJKAJSA-N	431.495	5.568	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1O	8965078	ILDHBQJKPQKXLS-DHDCSXOGSA-N	427.323	5.741	50	40	IKGB	
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1	44827397	UYLXQCCLBMUWOX-NTUHNPAUSA-N	428.267	5.251	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1O	59336265	RMDHPXALDSCXNH-YHYXMXQVSA-N	442.096	5.016	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Cl)cc1	408570371	UIWUHUWGLMGPTN-YVLHZVERSA-N	433.870	6.007	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1-n1cccc1	408766219	SRHOHTHOXCOFDW-BUVRLJJBSA-N	434.293	5.264	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	408787053	QBKJOBJYWGSINY-GHXNOFRVSA-N	439.777	5.054	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1Cl	408879290	CWJSLOXKUKHZEA-VXLYETTFSA-N	439.317	6.577	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCc1c(Cl)cccc1Cl	408882381	OVNVRBLEAKEHLX-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1	408889884	KLXFFHUSEJHIBR-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1	408962065	GGUPJEQAMOKTLV-WKULSOCRSA-N	435.449	5.781	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl	409050962	FLLFLVPPTBSQSH-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1cc(C(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c2ccccc2)cs1	4852212	XQBFTPNERJWBIP-UHFFFAOYSA-N	430.614	5.338	50	40	IKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)COc3c(C)cccc3C)c2)cc1C	9614413	GMAAUHSPIIUKAH-CULPDNDYSA-N	430.508	5.570	50	40	IKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@H](Cl)c2ccccc2)cc1/C=C\c1ccccc1	68563601	YSMPRUOJLAHKGO-RHCPZQJMSA-N	443.286	6.933	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1	104110857	DSLGGDNTIFVRDO-XMMPIXPASA-N	443.572	5.945	50	40	IKGB	
CN(C)P1(=O)N(c2ccc(Cl)cc2)P(=O)(N(C)C)N1c1ccc(Cl)cc1	104160606	XZRUQOILAORATF-UHFFFAOYSA-N	433.216	5.659	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21	208476133	KYHHYYSMULDWKG-SXGWCWSVSA-N	426.347	6.171	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)c(C)c1	216049685	FSSAGWMAKBUOET-OCSSWDANSA-N	434.543	5.179	50	40	IKGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(C)ccc1C	408708852	URERQMSROITSFC-JFLMPSFJSA-N	448.954	5.352	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OC(C)C	408802057	CLPYVVSGVIZHDA-RQZCQDPDSA-N	443.341	5.407	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1	409046414	KNDBWXZQONDVPF-LDADJPATSA-N	442.906	5.606	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC=C)c(Cl)c2)cc1OCC	409326127	HBTXUHKDYJDIKL-QFEZKATASA-N	449.334	5.286	50	40	IKGB	
CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1	409368465	XDVIWSLKKJGCQN-QFIPXVFZSA-N	435.593	5.315	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1OCc1ccc(Cl)cc1Cl	409368826	ODWBDFADVBZUFJ-GZTJUZNOSA-N	431.319	5.110	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cccc(F)c1	409390726	GSBRXVVMRSJGEC-NVMNQCDNSA-N	442.715	6.885	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	1955668	KWDVICZSNGIATH-RWPZCVJISA-N	438.612	5.948	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	10315717	QRCLVZARIKOACY-VULFUBBASA-N	444.362	5.492	50	40	IKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3ccc(C(C)(C)C)cc3)cc2)cc1	12604819	IBMIAUBNUKIVLV-ZTKZIYFRSA-N	444.575	6.116	50	40	IKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	16439512	AFVZFFGJOIYTPX-YRNVUSSQSA-N	426.097	5.310	50	40	IKGB	
N#C/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	34888160	OZMBYTIEZSSWFU-ONEGZZNKSA-N	427.523	5.981	50	40	IKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	59136558	BHWGCLSRKCVUPW-KBKYJPHKSA-N	441.236	5.965	50	40	IKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	59272148	GMRWBWHGEZZWIQ-DEDYPNTBSA-N	436.433	6.139	50	40	IKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1C=C(c2ccccc2)C=C(c2ccccc2)O1	68564762	GSUFBNUYXHVDIK-LJAQVGFWSA-N	434.475	6.482	50	40	IKGB	biogenic
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C/C(=N\NC(N)=O)[C@@]21C	118914798	OKIFINTYHZKNNY-SNIGPFMJSA-N	445.648	5.259	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	408539845	KAYBMJJTVAZHMY-BWAHOGKJSA-N	441.528	5.497	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408799794	LFDJSORCHZNJPJ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1Cl	408820299	WRRDYTKZDSLTJO-QNGOZBTKSA-N	446.909	6.332	50	40	IKGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408868794	OUXJVTBMXPDXBR-LFYBBSHMSA-N	425.204	5.022	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)c(C)c1	6195538	AEIVKDWNWYQIJH-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1	35126858	UAICHOFADCOXNB-LFIBNONCSA-N	435.159	6.455	50	40	IKGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(CSc2ccccc2)cc1	59474256	LVGWFIZNWIWKJE-OEAKJJBVSA-N	425.351	5.505	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Cl)c(Cl)c1	59534514	SAIMHQLXFSPIBB-CXUHLZMHSA-N	430.360	5.686	50	40	IKGB	
N#C/C(=C/Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1	96751839	YPSRAUMSJFDATI-XFXZXTDPSA-N	445.273	5.596	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Br)cc1	408579209	DSFRQQLCRSOHAC-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	408711842	NGAMBFBDNCMLBM-CEUNXORHSA-N	438.527	5.510	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)cc1	408763661	QCXFQVPRXULGGH-ULJHMMPZSA-N	446.506	6.167	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1cccc(F)c1	408872661	NQGMSSRXSSDNBZ-RGVLZGJSSA-N	434.898	5.933	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408892441	ZIJQPVUPAVLIKO-HMMYKYKNSA-N	440.449	6.243	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408963709	OPFOUBTYSUXMBO-KKMKTNMSSA-N	433.861	5.839	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1	408993051	BRSMCCUKFKPXNX-JVWAILMASA-N	437.971	5.619	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1Cl	409067517	YPFPVNWKNIRCIQ-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1	409069454	XUJIMDSWYASELE-GZTJUZNOSA-N	430.312	5.825	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl	409074747	VICVCGZTFUHJLG-LFVJCYFKSA-N	429.947	7.110	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)cc1Br	409359921	CLLYUGIGQXSWRD-BHGWPJFGSA-N	446.732	5.233	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	409378204	NGQSRPGORLHFJS-JJIBRWJFSA-N	433.511	6.012	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)[nH]c2c1	409391014	GUUDMYHLWWBUAN-WQRHYEAKSA-N	429.451	5.362	50	40	IKGB	
O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@H](Br)CBr	575360310	BGIWPXOOINRLBO-MRVPVSSYSA-N	427.964	5.065	50	40	IKGB	
CC(C)(C)OC(=O)N1CCC(SSC2CCN(C(=O)OC(C)(C)C)CC2)CC1	575629075	WCIKJZDBSTXYNX-UHFFFAOYSA-N	432.652	5.167	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1	1738227	HXINKTDOTMMLSI-HUUCEWRRSA-N	447.554	5.187	50	40	IKGB	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1C	2769234	IZZVHYCYSBIUPD-YALBQKEFSA-N	446.554	5.941	50	40	IKGB	
COc1cc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1OC(F)F	3362361	DHIPNEZEIFZSPJ-HWKANZROSA-N	437.657	5.413	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)cc1Cl	40161453	VAXCYBMZBTUEMQ-WDZFZDKYSA-N	444.768	5.097	50	40	IKGB	
Cc1c/c(=N\NC(=O)NCc2ccc(F)cc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	70655960	KUVORCFAWKDARI-RMLRFSFXSA-N	449.526	5.223	50	40	IKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408829943	PAQMUQPIMRXMQO-LTGZKZEYSA-N	442.902	5.477	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1nc2ccccc2o1	409071918	QOWAXOCOOOGCQH-WOJGMQOQSA-N	430.847	5.823	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cccc(F)c1	409394144	WHQSEXWPHMVWGM-ZDLGFXPLSA-N	426.260	6.370	50	40	IKGB	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1COc1c(C)cccc1C	1117791	JCZCMIPKAODQHM-HZHRSRAPSA-N	433.529	5.229	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(C(C)C)cc1	2161507	LCSFMQMJNLACLD-OCSSWDANSA-N	449.554	6.881	50	40	IKGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1OCc1ccccc1Cl	3250020	WQGGEVZBEXDJKI-UHFFFAOYSA-N	438.914	6.082	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)ccc1OCc1ccc(Cl)cc1	4832034	VNVRFPXLYOJIOI-QYOCMXFBSA-N	426.944	5.204	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1	8811061	SWJQEOMUEBEGAI-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
O=C(CCSc1nc2ccccc2s1)N/N=C/c1cccn1-c1ccc(Cl)cc1	9310848	LFLWRCFJMFZVEI-OEAKJJBVSA-N	440.981	5.373	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)cc1	20760361	ZQRUGBYFLQSICI-VULFUBBASA-N	446.348	5.524	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(C)cc1	59255467	MIOKPMGEWKFACN-LFVJCYFKSA-N	448.522	6.282	50	40	IKGB	
CC(C)c1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1	104136187	JXXUEKKXMMXAEG-PGMHBOJBSA-N	429.904	5.056	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223574337	NGRRPHAHDWXOEY-MJDZGMBVSA-N	427.592	5.953	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccc(Br)cc1	408579271	FPQPZIDNSCNQLP-DEDYPNTBSA-N	434.289	5.790	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2)c1	408581702	YYHRSPRFTLQQHH-LDADJPATSA-N	437.326	6.384	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	408736958	FHJWVLPBKVUEPG-STBIYBPSSA-N	442.946	6.073	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)cc1	408773200	JGSHCMPSWDSTCR-STZFKDTASA-N	438.449	6.354	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1	408871722	ZHNHMIVMEIHESI-XSFVSMFZSA-N	434.898	6.014	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)c1	408876025	MFGWKPMAHLOWQH-WSDLNYQXSA-N	449.381	7.055	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1	409071590	HJVCDRFAYQOOMO-JXAWBTAJSA-N	434.948	6.436	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	409114357	JHDUVUUXRCXGRE-CMPFEXHJSA-N	438.980	5.858	50	40	IKGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1	409198792	LAQCJLYASXIWNG-WSSSDRMFSA-N	438.314	5.330	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc2ccccc2c1)c1ccccc1	409234029	XXDDZFFPSWWOBU-CCPXZDFDSA-N	432.523	6.203	50	40	IKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	1905985	IAYRAAUYSKNGAN-QGOAFFKASA-N	435.936	5.498	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1	2049293	MYOBOSQRQRNXFL-ZVHZXABRSA-N	439.924	5.233	50	40	IKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc3ccccc23)cs1	2198142	RUTYWVKUBBYIIW-OBGWFSINSA-N	425.513	6.117	50	40	IKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC	2302904	KOMLKXDFEIXYDU-SDNWHVSQSA-N	427.913	5.466	50	40	IKGB	
CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1	2310163	DEPGZGTVPYPALM-IBGZPJMESA-N	439.968	5.174	50	40	IKGB	
N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccccc1)C(=O)c1ccc(Br)cc1	4424955	QWGYDBJBMVZHIQ-HMAPJEAMSA-N	428.289	5.360	50	40	IKGB	
C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)COc1ccc(Cl)cc1Cl	12629655	JPYYSHLBUIAZMC-AFUMVMLFSA-N	436.339	5.017	50	40	IKGB	
O=C(NC1CCCCC1)NN(C(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1	16956850	QMGVWOWQNQROOG-UHFFFAOYSA-N	441.601	5.206	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cccc(Cl)c1	58917446	QHIPXYXIJMODHM-VBYICHLGSA-N	425.985	5.520	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)NN=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1	98087264	UVXFAKHITNILCO-UHFFFAOYSA-N	445.777	6.147	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1Cl	107656173	JEAXCMMTJSGHSK-GHRIWEEISA-N	449.869	5.042	50	40	IKGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	108911803	HCKNTHDYLYVBCH-MOSHPQCFSA-N	434.923	5.333	50	40	IKGB	
CC(=O)OC/C(=C/C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118930451	GTNLNZAZXARJCQ-HWMCCZRCSA-N	441.612	5.590	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)cc1	408777855	KHMAVBBHDUQRQV-BKUYFWCQSA-N	438.449	6.354	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1C	408854314	CHSQIEGGAHSBBH-OEAKJJBVSA-N	444.962	6.698	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1O[C@H](C)CC	409251717	VVXKNFDJRHSGLD-POHDFXHOSA-N	426.944	5.700	50	40	IKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc2c1CCCC2	2357604	HAVSCFCYGJSKGP-XMHGGMMESA-N	444.556	5.891	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccccc1F	33666580	HDVLOUKNESPOFK-YVLHZVERSA-N	442.715	6.885	50	40	IKGB	
CCn1c2ccccc2c2cc(/N=C\c3ccc(N(CCCl)CCCl)cc3)ccc21	104082627	JKMUMWJMHZAQAO-VEILYXNESA-N	438.402	6.849	50	40	IKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C2=C(O)CCCC2=N1	104118996	JILIBZVYKANULS-QHCPKHFHSA-N	447.535	5.775	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	107861351	WETXFHCUMUSHAT-ZHZULCJRSA-N	440.971	6.552	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccccc1	408565804	AQBRQVNMIAXBIF-NHDPSOOVSA-N	445.316	5.973	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	408581478	XELCJPRNKKSTFR-YBFXNURJSA-N	442.317	7.174	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1O	408585898	JYQSAHYBWXVXHU-WCIBSUBMSA-N	446.071	5.376	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1	408747945	VZPQDKRCWIGLGD-MTJSOVHGSA-N	432.907	5.151	50	40	IKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	408889868	KDXVGHZIVVZOMH-SGWCAAJKSA-N	430.548	5.032	50	40	IKGB	
COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)o2)c1C	408985728	YEHUUPIJMABUNV-FOWTUZBSSA-N	434.879	5.549	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1	409049007	VLZSWYPKHDDHJD-RQZCQDPDSA-N	443.261	6.684	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1Cl	409062744	AEBMFEURAWYPQK-UDWIEESQSA-N	433.939	5.919	50	40	IKGB	
Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c(C)c1	409219908	WLYMDQMAGJSQSB-LGJNPRDNSA-N	440.012	5.915	50	40	IKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)c2)cc1	3112156	NKRGIAHWCSPNEH-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
Cc1c(C)c(C)c(C(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c(C)c1C	3132541	YORUIFVMXANPSV-OALUTQOASA-N	438.203	6.311	50	40	IKGB	
N#C/C(=C1/SC=C(c2ccc(Cl)cc2)N1c1ccccc1)c1nnc2n1CCCCC2	3180670	TWBZKBZWBUYPSW-GFMRDNFCSA-N	445.979	6.102	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)c(Cl)c1	9288154	YUTAIVCDASUWSY-AYLZGIOVSA-N	442.906	6.687	50	40	IKGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1	9435162	ZDEHNRCMCPEVHF-STBIYBPSSA-N	443.547	5.074	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	20197453	CNZRVSXZHAFQHG-YDZHTSKRSA-N	427.844	5.061	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC	33783680	LEXBSNRJUNEEON-QQUGTJAQSA-N	429.731	5.597	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1I	59144186	AAZYIDWMUUFNGH-GHXNOFRVSA-N	444.099	6.061	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	59436921	FXFPQCYKFMUGOH-WPWMEQJKSA-N	430.573	5.819	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	223168555	ZUZCFCNPTQFNGD-MOSHPQCFSA-N	438.358	5.667	50	40	IKGB	
O=C(Cl)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	226327519	NEOZJDZAMIYHAV-UHFFFAOYSA-N	441.479	5.556	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408790069	NAWXJQIBZUDYOU-VZUCSPMQSA-N	430.118	6.245	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1	408807732	OOGWQRPKBLFMGL-GZTJUZNOSA-N	449.850	5.078	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1	408816984	VMLCCSZOFVWERT-XIEYBQDHSA-N	446.550	6.835	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Cc2cc(C)cc(C)c2)c1	408874000	YLCMEPIPTQWSLK-OEAKJJBVSA-N	444.962	6.410	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1-n1cccc1	408895489	KVBNQTBQQSRGRB-WPWMEQJKSA-N	429.907	5.474	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1	408938432	QMNZAQMURXJRFQ-MOSHPQCFSA-N	446.890	5.251	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(Br)c1	409005884	GFUGDAVTUHPAEL-IWIPYMOSSA-N	425.326	5.545	50	40	IKGB	
C/C(=N\NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1)c1ccc(C(=O)O)s1	8450842	JEKROJPWTSRFJO-WGOQTCKBSA-N	445.544	5.220	50	40	IKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1	8934456	DXRNFIVTELFJLN-BPAFIMBUSA-N	435.369	5.315	50	40	IKGB	
O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl	12956898	RLYLUIMLUCLDMV-UHFFFAOYSA-N	433.722	5.990	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	13027741	HITRUSYCCDBSQW-TURZUDJPSA-N	440.571	8.208	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc12	14152073	CFNQNIMJPGSOCT-GHRIWEEISA-N	427.529	5.596	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl	59336608	FLHMZBVXOQOFER-BENRWUELSA-N	449.746	6.937	50	40	IKGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc1)C2	59501504	BIVGSMAHDXXVOQ-LGJNPRDNSA-N	448.364	5.350	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1	408984424	QVJTVCKTXSQYQM-PTNGSMBKSA-N	441.712	6.217	50	40	IKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1Cl	408995711	DHLUXBZOKFUJAH-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409007307	NRPZANLCPDDSED-RGEXLXHISA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)NC1CCCC1	409192339	AZJNTLVAXJFLAF-HKWRFOASSA-N	430.935	6.038	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1OCC	409313794	PMYRVMKNAMODSX-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	16440427	HMZRTYUYKHPXBU-YRNVUSSQSA-N	426.097	5.310	50	40	IKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@H]1c1cccs1	20348245	HRUHKVNGVMKPRP-IBGZPJMESA-N	435.574	5.181	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CCSc2ccccc2)ccc1OCc1ccccc1	59473053	NPQVAPLZCGXNNX-NLRVBDNBSA-N	434.561	5.297	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc21	223512672	PNDGXRWGAHPGOH-QRVIBDJDSA-N	427.592	6.568	50	40	IKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc(Br)cc1	408578598	ABOAZMDWALPTBU-CPNJWEJPSA-N	433.305	5.531	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)c1	408968060	TZOQNRZYWXIZJE-UCQKPKSFSA-N	441.531	5.433	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccccc1	409069654	WRTVBQAPIMURCF-NBVRZTHBSA-N	446.484	5.058	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409073319	GWJOQDZZVCPTHS-SFQUDFHCSA-N	440.864	5.080	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1c(Cl)cccc1Cl	985625	WCJCQVYZPXOKNP-GOSISDBHSA-N	433.298	5.755	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccccc1Cl	6143333	WGBCAUDTHYTFFN-CPNJWEJPSA-N	429.907	5.878	50	40	IKGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3	15979216	HBPRBPOHUDWWRM-RGHBXIHOSA-N	427.529	5.335	50	40	IKGB	
CCOC(=O)/C(C#N)=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	33349149	VNWWMZKAASJVJP-VVMJTIOOSA-N	425.569	5.264	50	40	IKGB	
Cc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	33675952	KQTOPGQNQMTWRD-YUMHPJSZSA-N	427.504	5.338	50	40	IKGB	
N#C/C=C(/N=C(\O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102584424	UOVFYIGRBJLXCL-MEFGMAGPSA-O	433.471	5.350	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1F	108997542	AQCLIMRATJHCGZ-BOPFTXTBSA-N	442.715	6.885	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C	208313963	RQSNCUGJNQWOPF-LCJWJQHCSA-N	448.394	5.635	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c1	408725480	PZUBPYQFOHLRCQ-VUTHCHCSSA-N	446.510	5.465	50	40	IKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2c1	408780027	QGTLUTQFYSEWMI-PDGQHHTCSA-N	434.923	6.145	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(F)cc1	408795560	VROPNFOQAKYRCQ-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	408871021	XDOQKXIBRGWXRV-WOJGMQOQSA-N	441.745	6.783	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1cc(C)cc(C)c1	408875707	KCSBZOJQEUYLIT-OEAKJJBVSA-N	444.962	6.492	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1	408891196	MWJVHHRUDVQOAC-RDRPBHBLSA-N	438.527	5.890	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	409115416	MKPMDJXVTZQZPE-MJDKSPQASA-N	425.985	5.687	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	409192915	HCPMPLMJPOURJI-MZJWZYIUSA-N	436.342	6.069	50	40	IKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1	409371263	HIPFKNVQOVEKGT-QGOAFFKASA-N	439.296	6.296	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)cc1OC	1296707	UVBJOEHCRZRXOS-SDNWHVSQSA-N	429.448	5.405	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1	1439531	RITDZEBBRNJZCV-XMHGGMMESA-N	446.890	5.251	50	40	IKGB	
COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(C)sc3C)c21	6300263	VYRBSFRRVZWWCE-HNNXBMFYSA-N	447.347	5.289	50	40	IKGB	
N#CC(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-]	9057424	NAFMGPRRQGNLGU-UKTHLTGXSA-N	438.783	5.612	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc(-c2ccccc2)cc1	9375246	QKZFHVCGOFVLJE-CEUNXORHSA-N	430.511	6.051	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(Br)c2)o1	9514039	VLVJOTXDECHDOH-VULFUBBASA-N	448.320	5.425	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3C)o2)ccc1Cl	20194364	DPKJGLPLZAZRCV-VULFUBBASA-N	438.911	5.086	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)cc1C	28216052	YBGYYZZGNARCDB-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
C[Si](C)(C)O[C@@]1(C(F)(F)F)CC[C@H]2C[C@H]1CC[C@]2(O[Si](C)(C)C)C(F)(F)F	169806691	DZFQSRPDBPDJKO-PYHGIMPFSA-N	436.585	6.502	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1F	207056199	VPORUJDXECRWAT-QWQBBLJPSA-N	430.479	5.198	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1	408578807	BCKFVPWEMNXWEN-VCHYOVAHSA-N	428.746	7.598	50	40	IKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1	408718916	VNVRFPXLYOJIOI-YJJDYQBRSA-N	426.944	5.204	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1Cl	408735096	NUQLBQYOBNOCNV-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc2ccccc2c1	408743117	DROKFSZTNUAOFV-MYYYXRDXSA-N	448.522	6.282	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCC)ccc3ccc(OCC)cc23)cc1	408785744	YTSBZBLRMGUUSM-CYVLTUHYSA-N	430.504	5.582	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1	408793377	DUYDMAZAFFZWOT-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408836564	SNGMHTDQMVXTSH-HMMYKYKNSA-N	432.907	5.863	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(C)cc2)c1	408887850	UJQGRTQROQAGFI-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)cc1Cl	408936511	KRFLEVNLAMXLMR-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(Cl)cc3)cc2c1	409186600	FKKSDZWTNYAGOB-DICXZTSXSA-N	448.906	5.828	50	40	IKGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccccc1	409220025	XOWHSYLHUZBEJX-YUMHPJSZSA-N	428.875	5.476	50	40	IKGB	
COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)c2c1	871122	RJLVRPDICWVNKO-AUEPDCJTSA-N	434.348	5.101	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)cc1	2078389	AHYSWWCCIAZDQH-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
CC(C)c1ccc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1	2751895	HSPSCYLUKVCVRC-OLAFDOCQSA-N	437.543	5.287	50	40	IKGB	
C=CCC[C@]1(C)/C(=N/NC(N)=O)CC[C@@H]2[C@@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21	5230480	FKDQTWHEENTAQA-PCNNTTBPSA-N	443.720	7.298	50	40	IKGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1	20132731	FUZRULBQWPJKBV-OAHLLOKOSA-N	437.334	5.517	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1sc2c(c1C#N)CCCC2	59534527	BFODSKZDBPUQDN-WOJGMQOQSA-N	446.601	5.191	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	223172456	ISZISGPFUFENND-HAHDFKILSA-N	441.531	5.433	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OC(C)C	408570547	WQQZWXMMCHLXAP-AUWJEWJLSA-N	444.304	5.715	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1C#N	408744566	GANYZGFENMBZFW-NDENLUEZSA-N	443.890	5.345	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1	408744852	HUVMMMRAOMFGSS-PDGQHHTCSA-N	435.911	5.310	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1	408780997	PMZYDAPGYMBMLK-UHFFFAOYSA-N	445.651	6.635	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	408798658	WHVKSUFBTSQBBJ-XSFVSMFZSA-N	446.890	5.251	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408827751	MEDBCNOKAJHODM-HMMYKYKNSA-N	432.907	5.863	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccn1-c1ccc(Cl)cc1	408847410	VEHFUCPVLPKESR-PKAZHMFMSA-N	429.907	5.327	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)[nH]c2cc1C	408951830	VARKIMWIYUNZNO-ZDLGFXPLSA-N	444.922	6.003	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	409248224	GYTJPJGLXGBIIB-UVTDQMKNSA-N	426.259	5.028	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409349309	PRCRDJKCFFSIHV-KKMKTNMSSA-N	446.309	5.274	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)c(C)c1	409378795	SBTCYGVCQBWDDZ-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccccc1Cl	2177711	YZFSUKCRUQKCOO-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccc2ccccc2c1	2288165	FSRNUBCRKZZCPP-LDADJPATSA-N	442.858	5.997	50	40	IKGB	
O=C(CP(=O)(c1ccccc1)c1ccccc1)N(Cc1ccccc1)c1ccccc1	2787354	NQWNJSUINFAXAW-UHFFFAOYSA-N	425.468	5.234	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1	9160225	JDWHJMBYUGUANF-INIZCTEOSA-N	427.291	5.000	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1	9324431	IWKYMFQFMAKLBC-YBFXNURJSA-N	438.296	6.240	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)cc1	20765034	FOZZNJBAUVJLRC-LQKURTRISA-N	445.950	5.814	50	40	IKGB	
CCOc1ccc(N[C@H](CC)C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1	32705968	FPAQNMURZGMFLD-RNHXXFPGSA-N	431.536	5.005	50	40	IKGB	
C/N=C(/SCc1c(C)c(C)c(C)c(C)c1C)P(=O)(c1ccccc1)c1ccccc1	106853026	MNHPIJZIABAFMF-CYYJNZCTSA-N	435.573	6.462	50	40	IKGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408720351	ZVEDQFAWVICDRK-OGLMXYFKSA-N	440.568	5.802	50	40	IKGB	
O=S(=O)(N[C@H](c1ccccc1)[C@@H](Cl)c1ccccc1)c1ccc(Cl)cc1Cl	408731789	PUBOVASNAYAUKJ-VQTJNVASSA-N	440.779	5.993	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)c1	408967675	ROEJVNSLFDXDFR-MTJSOVHGSA-N	449.348	6.098	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1O[C@H](C)CC	409220627	CLHRIVKTICRMGL-MKYLKIGJSA-N	440.971	5.572	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br	409221694	UWTRKBFRTMKPRH-PNWWAVQQSA-N	441.369	5.282	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)cc1	409224624	LIXIUHUNHWMNCK-NTFVMDSBSA-N	442.902	5.785	50	40	IKGB	
O=C(N/N=C/c1ccccc1O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	1883157	ZYLAVQHMGDCDGN-ZMOGYAJESA-N	434.293	5.067	50	40	IKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1Cl	3175239	QQVLCBWFCPPRRW-VQXFCIMOSA-N	445.744	5.563	50	40	IKGB	
CC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CSc3cccc4ccccc34)o2)cc1	8874944	XVJVEDAGBHKRQE-YSMPRRRNSA-N	428.513	5.545	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	9948741	ASUZAJDUZPDOGZ-YCTNYIMWSA-N	431.492	5.406	50	40	IKGB	
CC(C)[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1	20133459	HNLYROUNGSKBPT-KRWDZBQOSA-N	437.334	5.372	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl	35103555	HXUIXHAPUXYAJB-VTGBELTLSA-N	431.901	5.404	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	105695445	CPDIVCZOHFJXQL-QJOMJCCJSA-N	434.580	6.597	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223557043	IUFGQYHCHRYJKI-BRLDDBHUSA-N	435.999	6.695	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1C(F)(F)F	408605242	XTMPSCIJJZBZAJ-VROXFSQNSA-N	437.761	5.291	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)cc1	408793227	DIJJXHQRZZBIPC-XQNSMLJCSA-N	440.499	5.296	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC(C)C)c1	408804516	YACCDGVSYYRMDQ-PXLXIMEGSA-N	442.515	5.607	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Br	408805065	CYRAROICOQYTFR-NTEUORMPSA-N	447.716	5.222	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	408816835	SMDIYJPRBYWAEG-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1cccc(Br)c1	408854823	JRXYKTCUCHIILZ-NDENLUEZSA-N	434.289	5.790	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cc(C)cc(C)c3)ccc3ccccc23)cc1	408866851	JOEBXTMOVFOKHT-ZXVVBBHZSA-N	444.578	7.156	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c(C)c1	408922210	FALKFMXMUJPZAV-KGENOOAVSA-N	444.918	6.030	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1cccc2ccccc12	409019341	RCWWVQMBLLRNRH-MBTHVWNTSA-N	441.918	6.411	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccc(Cl)cc1	409192554	YQRRPMFHMAJKGI-DHRITJCHSA-N	432.867	5.015	50	40	IKGB	
CC(C)(C)c1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(C(C)(C)C)c1O	987176	QAJPAXDTYTVQTC-SFHVURJKSA-N	448.592	5.657	50	40	IKGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1	1769763	VFYSTDNAAHRLQV-XDJHFCHBSA-N	448.906	6.103	50	40	IKGB	
COc1ccc(N2CC=C(c3ccccc3)O[P@@]2(=O)N(CCCl)CCCl)cc1	5461877	BDFFCJIXLFYJOH-NDEPHWFRSA-N	441.295	5.461	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(C)=O)c1C	9459359	LAQNWLKMCXYCEU-WJDWOHSUSA-N	437.546	5.536	50	40	IKGB	
CCOc1cc(Cl)c(Cl)c(/C=N\NC(=O)COc2ccc([C@H](C)CC)cc2)c1O	10059282	NNHCWGDDOCFSBU-PMZVSURPSA-N	439.339	5.140	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)[nH]c2c1	33648356	CSAUSMVHXXWNFK-ZDLGFXPLSA-N	434.326	6.821	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl	59535869	WGXOTLSKVBUBAZ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	107686647	URRABQIHTFYGNV-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1F	408566434	GKPQNZNHUOKPJK-WQRHYEAKSA-N	431.442	5.883	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1cccc(Cl)c1	408889584	FRBSKDQXVZAERN-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408925197	QLXWLBWWAFLQAL-XBXARRHUSA-N	431.062	5.754	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408925235	QQWCYKRFZYLYNI-YCRREMRBSA-N	431.062	5.754	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408966572	PFMOAUAWTXQQQO-VULFUBBASA-N	438.443	5.108	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)o1)C(=O)Nc1ccc(Cl)cc1	408988580	DVJSTZKRXBDYCZ-ACCUITESSA-N	437.933	6.240	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1-n1cccc1	409075658	SSQRZOHOHQWFFS-YZSQISJMSA-N	431.948	6.046	50	40	IKGB	
N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)NC1CCCC1	409192721	ZQPRIUQVJFEDPM-HKWRFOASSA-N	441.487	5.293	50	40	IKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	409355821	FDXZTBYIASWUAU-WQRHYEAKSA-N	425.271	6.545	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1c1cccc(Cl)c1Cl	646944	CHOBFNPKBPTXOL-SFHVURJKSA-N	433.298	5.755	50	40	IKGB	
CCc1cccc(OCC(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)c1	1916511	ARMKSPHPHFJEBM-BKUYFWCQSA-N	447.918	5.960	50	40	IKGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccccc1Cl	8837662	YFXQHCKELLIMSW-BKUYFWCQSA-N	449.026	5.116	50	40	IKGB	
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])cc1	15979797	FHNPFHHFQUNYCH-NBVRZTHBSA-N	438.487	6.625	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(C)C	17307211	WASVVCDFZNKVML-VCHYOVAHSA-N	435.505	5.968	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(C(C)(C)C)c1O	32519977	GQAXUILJHVPVOY-DHRITJCHSA-N	439.581	5.371	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1	33665019	KCVWIHRHKZJSQY-NMWGTECJSA-N	445.522	6.711	50	40	IKGB	
CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2	35327051	SDRYDUDGFSNJRC-LJQANCHMSA-N	434.927	5.158	50	40	IKGB	
Clc1ccc(-c2nnc([C@@H](Br)[C@@H](Br)c3ccccc3)o2)cc1	100292365	DAZDIIGRADBXNY-KBPBESRZSA-N	442.538	5.962	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)ccc1Cl	408589678	MSYMKELZBGBZDP-WYMPLXKRSA-N	431.275	5.194	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccs3)cc2-c2ccc3ccccc3c2)cc1	408724021	CLJFQPYFDFYTFA-WPWMEQJKSA-N	436.540	5.826	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(C)cc2)c1	408809944	HTIMGXQHSVFBGI-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OC(C)C	408859637	VVQJNZPTOBCTSC-OQLLNIDSSA-N	447.304	5.320	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1	409390204	BYWYTUCEQVPTTL-RWPZCVJISA-N	430.939	5.463	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)[nH]c2c1	409391272	ISYGSHSAXVIVRY-CXUHLZMHSA-N	437.330	6.350	50	40	IKGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	2289827	GFSSGGVZYZNGIS-JFLMPSFJSA-N	445.906	5.646	50	40	IKGB	
N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	9327363	BEXBIIHIZKCCTL-GHXNOFRVSA-N	436.161	6.944	50	40	IKGB	
Cc1ccsc1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13096002	DUEUPGWCRPTRCS-LGJNPRDNSA-N	446.450	5.299	50	40	IKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1	20347807	HIHZYAPOOMLRPG-XMMPIXPASA-N	444.556	5.036	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	27532512	MMQPQYINXVOAKO-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)[nH]c2cc1C	33415767	KRWPZFHVFBVIAZ-STZFKDTASA-N	434.518	6.694	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc2ccccc12	39884787	RWPKFMWIDPEDLX-SFQUDFHCSA-N	433.294	6.952	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1-n1cccc1	59101695	ZIYTZGJBYSHWGA-TWKHWXDSSA-N	445.522	5.973	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OC(C)C	59297370	XDRMLRWSCGRVGO-RQZCQDPDSA-N	443.341	5.407	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1Cl	96483988	LDMYAIFGJISRDU-SSZFMOIBSA-N	425.340	6.690	50	40	IKGB	
CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1	108352219	UJJSDYGKROJWAT-BWAHOGKJSA-N	445.401	5.881	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1	408580986	FNMHZXBDZISCLR-UDWIEESQSA-N	437.898	6.530	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1	408581186	UWKOLUQSUMOQFR-VCHYOVAHSA-N	428.290	6.784	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc2ccccc2c1	408598542	CSPJIDHWOVENBP-MUFRIFMGSA-N	437.930	6.260	50	40	IKGB	
COCCCNC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408818841	QSYPYJMFJPPZLA-HMMYKYKNSA-N	434.923	5.132	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408898105	UOGDHVYJADCJNA-NTEUORMPSA-N	442.258	6.016	50	40	IKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(C(F)(F)F)cc1	409173787	KDYRGFNXFQRQPA-OPEKNORGSA-N	446.256	5.271	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)cc1	409235621	PICYRYDXYFMLBH-CVKSISIWSA-N	449.624	5.086	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1	409251441	PXSUBAMBUGYJDQ-UYRXBGFRSA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc2ccccc12	409320477	BHQVOEANEXKOEG-VBKFSLOCSA-N	445.272	6.835	50	40	IKGB	
N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cccc2ccccc12	2257044	ULQWURKIVYSRBO-LJQANCHMSA-N	432.405	5.262	50	40	IKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)cc1	3216158	BLMWMUGWAMPATP-MUFRIFMGSA-N	444.962	6.473	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	34863515	NCSLAKILISWGJM-OCKHKDLRSA-N	434.835	5.590	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Br)cc1	59433053	ZJCGULQLDDQRQI-QGOAFFKASA-N	426.358	5.213	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Cl)cc1	408579870	KWLMWCXSQSSGML-VXLYETTFSA-N	428.746	7.598	50	40	IKGB	
Cc1ccccc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2C)n1	408726722	SYEMRKCWZOYYBK-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1Cc1ccccc1Cl	408875334	JPONNPYTLLHRMR-HZHRSRAPSA-N	444.962	6.438	50	40	IKGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408894018	IFASSLNQBGFTCK-VGOFMYFVSA-N	434.279	5.482	50	40	IKGB	
Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	11903750	BZDXMBXSYZFLPU-WPWMEQJKSA-N	441.556	5.385	50	40	IKGB	
Cc1cccc(NC(=O)NNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)c1	13096258	OXEFCCXEVRMTPF-UHFFFAOYSA-N	431.536	5.472	50	40	IKGB	
Cc1ccc(S/C(Sc2ccc(Cl)cc2)=C(/C#N)NC(=O)c2ccccc2)cc1	27023819	HYXGSZLDPCZVPN-XTQSDGFTSA-N	436.989	6.656	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(C(=O)O)cc1	33498372	VJWXQENNMZWPIU-JLPGSUDCSA-N	428.491	6.605	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1	59254478	JYELRJAPHFDZQV-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	59335431	WILBXAKBGKWSEP-UNOMPAQXSA-N	434.337	5.711	50	40	IKGB	
Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@H]3c1ccc(C(C)(C)C)cc1	104766053	IWSCXTITGGZAFA-OAQYLSRUSA-N	428.532	5.741	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	209487821	XLGQNJGOQVCNMC-WSDLNYQXSA-N	447.918	6.389	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1C	223167746	AXOGBZKYLMFEGI-STZFKDTASA-N	427.504	5.043	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1	223606859	GMSSVIYIYOGDBL-FVHJOOJJSA-N	429.608	6.604	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1	408718766	HDKZOZKCHZOFGO-INFVGLPCSA-N	440.971	5.594	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1	408725587	KWOJDCURRFLZDM-HAHDFKILSA-N	426.516	5.691	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1	408744899	IAIPQGAQTFTIHY-WQRHYEAKSA-N	437.902	5.831	50	40	IKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(C(C)(C)C)c1O	408764840	TTZDEZMJOWRPDC-XNTDXEJSSA-N	445.390	6.840	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1O	408787632	CWOPFBDAXKDFLF-PXLXIMEGSA-N	440.499	5.254	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408792238	ABLPOCSTHNZSRE-RCCKNPSSSA-N	444.918	6.029	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccccc2)c1	408819534	XPILBNAEXAAIJF-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408835011	VUDZEEDENZREAK-RCCKNPSSSA-N	446.934	6.252	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)c1C	408869099	RACLMNKRSLQKHQ-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408892883	DKPXBKAJHDCHIP-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2cc(C)cc(C)c2)c1	408898611	XKENNPQVYKLJEU-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)c1	409267650	WRFGUJKHTVARTD-KGENOOAVSA-N	427.460	5.293	50	40	IKGB	
Cc1cc(C)c(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c(C)c1	3378451	DDFPRJSSZSKXNV-YDZHTSKRSA-N	435.568	5.165	50	40	IKGB	
Cc1ccc(C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)s1	13095478	UNAHGRIPEFVVMX-LGJNPRDNSA-N	446.450	5.299	50	40	IKGB	
Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C\c4ccc(C(C)C)cc4)cc3)sc2c1	13563627	YITPOYNDIVMLGK-JCMHNJIXSA-N	437.568	6.941	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)cc1	14134323	QPBTVMKYGRLTRT-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1cccc2ncccc12	15906685	GWDQHEDDOJPWAK-DTQAZKPQSA-N	447.466	6.355	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N/c3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)ccc21	27843075	YMQODADURRWCTK-RUPHVSFQSA-N	441.556	6.648	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cn(Cc2cccc(C)c2)c2ccccc12	32109293	PKVSRTPTDWTNIV-FSJBWODESA-N	441.538	6.007	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	96190217	HUZXMDHGELPNLB-ZSOIEALJSA-N	449.732	5.446	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(Cl)c1	408740129	IPGXSVZTSLZDGO-LQKURTRISA-N	444.966	5.919	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1	408775608	IOUOCIKCKRJPBH-CLCOLTQESA-N	447.538	6.397	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1	408787764	FXZGEAVGJPSRPP-WGOQTCKBSA-N	432.523	6.581	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1	408795225	BRKLIJWXVJHINJ-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408832990	YQVJSVJVKJUFBN-BHGWPJFGSA-N	433.360	5.945	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1	408840991	FAVPCKQCVNXUAH-VULFUBBASA-N	446.963	6.279	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1	408987324	OBWCMICLAXRIHU-MOSHPQCFSA-N	447.922	5.388	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090879	RAOJAJJGYJXNRA-LDADJPATSA-N	431.404	5.758	50	40	IKGB	
COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN(CCCl)CCCl	1652115	HFGLFYWVOHGDPI-UHFFFAOYSA-N	438.786	5.920	50	40	IKGB	
O=C(N/N=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1ccncc1	2302071	CPDGTYFVYVQCCA-CVKSISIWSA-N	434.952	5.246	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1c(Cl)cccc1Cl	9851560	AYXOPEKSDRKNJZ-LFIBNONCSA-N	432.347	6.493	50	40	IKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC)cc1	16700668	HPYOHIXIBUETTE-HEHNFIMWSA-N	428.536	5.151	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccc(C(=O)O)cc1	33661867	BAITVQGTCGGVGF-UNOMPAQXSA-N	432.863	5.120	50	40	IKGB	
CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528412	MZBAPSDXLFQBSG-AWEZNQCLSA-N	442.294	7.689	50	40	IKGB	
C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1cccc(Br)c1	408727696	RQVAXUNODKSDQA-HZHRSRAPSA-N	427.367	5.376	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c3ccccc32)cc1	408984422	QUPUUEXAOZOBLA-STZFKDTASA-N	439.946	6.506	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3c(C)cccc3C)o2)c(Br)c1	409154521	BGNBWXHKJXZHJY-WYMPLXKRSA-N	441.325	5.163	50	40	IKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(C(F)(F)F)c1	409231991	GPHQFMFOTCWSPA-NUJZUDFISA-N	439.412	5.611	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(C)s1	8454683	IOSWQUXPVLZWQN-RDRPBHBLSA-N	441.600	6.723	50	40	IKGB	
C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc2c3c(cccc13)CC2	12464456	WWYTYMVTYOGQNF-FSGOGVSDSA-N	431.539	5.977	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc1	13525148	QUQNIZRRMBGNTH-VUTHCHCSSA-N	436.511	5.705	50	40	IKGB	
CC(C)=CCC[C@](C)(Cl)[C@@H](Cl)[C@@H](c1cc(Cl)sc1Cl)S(=O)(=O)O	22116486	FUWWQLYSQVIDNH-DYEKYZERSA-N	440.241	6.335	50	40	IKGB	
N#CC1=C(N)S[C@H](c2ccc(Cl)cc2)[C@@](C#N)(C(N)=S)[C@H]1c1ccc(Cl)cc1	35183035	YCSVQCWWFNNSLM-QKLQHJQFSA-N	445.400	5.055	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117488	YYWFOHFQWBSJFJ-MFOYZWKCSA-N	441.289	6.257	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1	59117491	WHUOIHGTTMAVSZ-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
CS(=O)(=O)SCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34	77312706	GHYWVVCHPGNCFO-UHFFFAOYSA-N	439.602	5.106	50	40	IKGB	in-vitro
ClC1[C@H]2c3ccccc3[C@H]1[C@H]1[C@H]2[C@@H]2C=C[C@H]1c1c(-c3ccccc3)oc(-c3ccccc3)c12	104105389	PFEHDIPYECHLSW-HIIYZTFQSA-N	446.977	8.099	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(Br)c1	408746574	FIVNKRVOMKOYEW-NDENLUEZSA-N	434.337	5.080	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408790680	QUHKGBAXOYSOOE-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OC	408794148	HQCXZNXVDJDGMS-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C	408813789	RFWBDIMYRLPOHJ-XQNSMLJCSA-N	448.522	6.287	50	40	IKGB	
COc1cccc(/C=N\NC(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)cc1	409082722	QUNZJKGVYAABAQ-MXAYSNPKSA-N	429.303	5.345	50	40	IKGB	
CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1	3109780	VZRXKCPIZBAUBA-LJAQVGFWSA-N	430.872	5.251	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	11853134	AHSISUURGIDRAB-PTNGSMBKSA-N	433.886	7.021	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1sc2c(c1C#N)CCCC2	33596488	YZUJFBAPECNOGS-KAMYIIQDSA-N	444.472	5.212	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC	33664909	PBPCOBJPPGUERD-FYHAJLKWSA-N	425.916	5.081	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc([N+](=O)[O-])c1O	36160105	KYRKDNMULYKREI-GIJQJNRQSA-N	435.505	5.695	50	40	IKGB	
C=C(/C(C#N)=C/c1ccccc1F)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	109094398	SUUTZVWVHCZLEI-XDHOZWIPSA-N	438.333	6.842	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc(C(=O)O)cc1	408542717	NOIVRCBDFSYQOW-NVMNQCDNSA-N	442.273	6.474	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2ccc3ccccc3c2)c1OCC(=O)Nc1ccc(C)cc1	408551562	NPNPCXHKNSWMEX-UQQQWYQISA-N	448.522	6.239	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408746344	YNDLGLODMMNQLY-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408812529	WUFKHXWMUDGTBN-UKTHLTGXSA-N	431.706	6.761	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408850761	DXBVXJWLEWKGOJ-LGJNPRDNSA-N	427.331	5.953	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(Br)c2)c1C	408965151	GNBBCWIZNVQAED-OYKKKHCWSA-N	439.357	5.575	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1	408984625	SFWLQKBWZVXEPJ-HAHDFKILSA-N	445.994	6.944	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1Cl	408987894	PGBRYIISUHUUCI-ODLFYWEKSA-N	447.878	5.681	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1Cl	409052301	JGLDADGHVBLZHG-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccc(C(F)(F)F)cc1	985621	LRHZSWPSOPYAHJ-IBGZPJMESA-N	432.405	5.467	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1c(Cl)cccc1Cl	3616459	YNFZYCCNNFTEAH-JLHYYAGUSA-N	428.231	5.707	50	40	IKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc(OCc2ccccc2)cc1	6446305	SGIWBQNTTRRFHP-TWKHWXDSSA-N	447.538	5.914	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(C)cc3)c3ccccc23)c1	8811224	LKTFWOKJRMBSFF-LQKURTRISA-N	441.531	5.088	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	13029409	JWJWRXIMXGUJFK-HYARGMPZSA-N	432.504	6.648	50	40	IKGB	
COc1ccccc1N(C(=O)CCCCl)[C@@H](C#N)c1ccccc1OCc1ccccc1	26895980	XOBZLCUNLUAVNW-QHCPKHFHSA-N	448.950	5.891	50	40	IKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1	35377181	RMVKMJRKGIDSFF-BOPFTXTBSA-N	431.360	5.058	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1F	59534333	NMJDKWKOJGJXRZ-XDHOZWIPSA-N	436.508	5.088	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@@]43C)[C@@H]1CC[C@H]2N(CCCl)CCCl	118926420	WSFHWKVFVZZVNI-MHYDGWTMSA-N	432.907	6.705	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408578634	AECXQTCUDOPAAO-OQLLNIDSSA-N	447.126	5.296	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1	408742721	BVCFYCQUSNJHQY-PGMHBOJBSA-N	429.520	5.437	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408878734	CYPUTRASFULPLO-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1ccccc1Cl	408879178	BCUAQQMEPQMQHN-DEDYPNTBSA-N	432.907	5.581	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408882735	QLSCOPPMAVZVPO-GZTJUZNOSA-N	447.834	5.013	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408956180	ZBENZXAGCNBZRO-OTTIKCOKSA-N	445.313	5.145	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)o2)c1	408988518	DRZPXFYAIUSCNM-XMHGGMMESA-N	425.513	6.142	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1	409105282	MCRGKWFTVBEBIM-VBKFSLOCSA-N	425.340	6.690	50	40	IKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	954201	ZRLOLCLUMDTZAL-WOJGMQOQSA-N	437.952	5.720	50	40	IKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(F)(F)F)c3)n2)cc1	2270346	IAFQUDUZAWPXMS-QGOAFFKASA-N	427.495	7.004	50	40	IKGB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1	8860819	GYIBLEVCVSDUEO-QBHDBVHESA-N	440.543	6.204	50	40	IKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CSCc2ccccc2)cc1	16157591	PIQJJXVRNJNQCD-ZMOGYAJESA-N	439.924	5.446	50	40	IKGB	
FC(F)(F)c1cccc(O[C@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c1	16158854	SEUPHXGFZPGUQE-FZDIXFNVSA-N	426.276	5.121	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1Br	33792892	LXCQBLVNEZHWPC-GHXNOFRVSA-N	425.095	5.814	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC	35202510	NSXPTMHOJXBUFG-JHAVZTMOSA-N	439.737	5.052	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C	35386440	IZCRYFDVBMITII-OCSSWDANSA-N	448.526	5.568	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1	59445196	WZAGPVQRTKNZFK-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	89878638	IIAWWHLXTZIUND-CYFODOTGSA-N	431.355	5.126	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2C)cc1	98001633	RVKIIJZONJJIOY-LGUFXXKBSA-N	439.556	6.187	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(N(C)C)cc1	104164756	PCEXDRVGSCGNQC-COOPMVRXSA-N	429.693	7.464	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCC	107600312	WZZFFXNCUMFEPQ-AFUMVMLFSA-N	426.900	5.063	50	40	IKGB	
Cc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)s1	108024008	XXSADXPACAOYHK-QFEZKATASA-N	433.533	5.400	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1	408763819	UYLCXDCXZZHJAG-WKIKZPBSSA-N	433.861	5.459	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(C)c(C)c2)c1	408803854	UBHSUURBNITONK-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1	409125803	BAYMSZOVSMPAQX-KGENOOAVSA-N	428.488	5.044	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OC	1114867	BPTXCKREKDTZNI-NTUHNPAUSA-N	425.653	5.026	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2cccc(Br)c2)cs1	1245012	HQXZPSRPWDFBFB-SDNWHVSQSA-N	440.322	5.320	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1	1739488	SQEBMARTTMTYNN-CABCVRRESA-N	431.555	5.487	50	40	IKGB	
O=C(N/N=C/c1ccc(O)cc1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2315549	XNRIDFYSTGXNRY-WMPMWDHYSA-N	425.315	5.155	50	40	IKGB	
Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)N/N=C/c2ccc(Br)cc2)cc1	3085262	VADVVBPEVSTADS-PVPASAESSA-N	447.376	5.522	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1cccc2ccccc12	9200870	UBGODPVPQFXFBA-RDRPBHBLSA-N	438.527	5.890	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)c1	12140022	CGJSTKBAJBRSBM-MKMNVTDBSA-N	443.322	5.360	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2C)c1C	12498484	NWPXMNQHBBLGBN-KGENOOAVSA-N	427.504	5.043	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1	32117152	BVWYORRISDXITN-QRVIBDJDSA-N	425.897	5.472	50	40	IKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1	98086638	SFVJREXIJKOCPE-MZJWZYIUSA-N	438.439	5.617	50	40	IKGB	
CCCCCCCCOc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1	100955690	LUHJUGWUTNSSQZ-UHFFFAOYSA-N	428.661	7.816	50	40	IKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(N(C)C)cc1	104164763	PCEXDRVGSCGNQC-ZZIIXHQDSA-N	429.693	7.464	50	40	IKGB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CCCC[C@H]3CCSS3)C2)n1	225541236	LZSRQOPGYHOICS-OALUTQOASA-N	445.654	5.540	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1	408581086	UHJNWHJCOVYLHZ-XDHOZWIPSA-N	437.326	6.384	50	40	IKGB	
CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc2ccccc2c1	408753249	FXCYOWSGTCJSOK-VCHYOVAHSA-N	435.277	5.073	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@H](Br)[C@@H](Br)c1ccccc1	1669531	MMOWIUFXIYZUMS-UONOGXRCSA-N	446.964	5.532	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc1Br	9263568	LETZVNKXHPOBLL-RIYZIHGNSA-N	442.313	5.196	50	40	IKGB	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-]	15980170	IGTOFQYEJGQFIM-CPNJWEJPSA-N	446.894	5.239	50	40	IKGB	
O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1Cl	59488973	XUPAFROYICGISV-VLGSPTGOSA-N	430.898	5.875	50	40	IKGB	
O=C(c1ccc(Cl)cc1Br)[C@@H](Br)Cc1ccc(Cl)cc1	64220248	WWVHOVRGFUUBDY-AWEZNQCLSA-N	436.958	5.945	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@@H]1c1ccco1	102860663	PPQHILOMVKXXKC-FQEVSTJZSA-N	439.924	5.574	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)c3ccccc32)cc1	107653722	QNHDRPSQTOOQIX-ZHZULCJRSA-N	445.526	5.837	50	40	IKGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	226333771	XUGPONRVPQJZCH-XBXARRHUSA-N	433.072	5.302	50	40	IKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	408537415	DVQZDWZOMFSROB-XDJHFCHBSA-N	426.944	6.243	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408539481	WOKPRTULZUFOAA-NKFKGCMQSA-N	434.580	6.679	50	40	IKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1cccc(Br)c1	408691507	BEZLXGHRNCPTNJ-WQRHYEAKSA-N	431.337	5.814	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408848216	RAGKSHPZNMMJMI-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)o2)c(Br)c1	409238738	NOMPYGWULBYDEF-PTNGSMBKSA-N	432.239	7.101	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1	1070279	NKRULMYIQHZTTD-JOCHJYFZSA-N	434.923	5.370	50	40	IKGB	
N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1	1173182	VXUUHFGNXOZACH-WYMLVPIESA-N	426.701	5.439	50	40	IKGB	
C=C(C)Cc1c(C)nc(-c2ccc(C)c(Cl)c2)nc1OP(=S)(OCC)OCC	2559264	YIRLMNLNKAMHHF-UHFFFAOYSA-N	440.933	6.209	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1	12617955	PMQLUVUZYZQFFU-UDWIEESQSA-N	437.417	6.083	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	20764343	BVRTXMQSAOSBAM-ZVHZXABRSA-N	440.341	5.019	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1	39884460	VOPWSSLVJMQWLL-RVDMUPIBSA-N	444.840	6.727	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccc(Cl)cc1	59117655	URJULFIBNUVTNM-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccc(COc2ccccc2-c2ccccc2)cc1	89851219	LPFLSUFPPSPDGC-PNOGMODKSA-N	446.550	6.403	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1	96398851	UBIAPDVSCBYDEQ-SILNSSARSA-N	431.499	5.499	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@H]1c1ccco1	102860661	PPQHILOMVKXXKC-HXUWFJFHSA-N	439.924	5.574	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408579194	DNQKOLXTSGOBPU-OQLLNIDSSA-N	449.142	5.849	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	408579913	LIRGRLAPBBQJPV-GZTJUZNOSA-N	425.271	6.545	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(C)c1	408735253	OZOJJNVCCJKSAM-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	408756993	YXCVUXFIHQISMS-GHRIWEEISA-N	437.282	5.758	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1Cc1ccccc1Cl	408875586	KIRGJXLZTGEKTB-HZHRSRAPSA-N	444.962	6.438	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)c1	408965761	IKEIHMKIRVZGGB-OGLMXYFKSA-N	439.515	5.188	50	40	IKGB	
C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409030892	IJHRRNLEODFDQD-OGLMXYFKSA-N	441.918	5.884	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1	1011011	LFTIXZZEYOCEIE-VULFUBBASA-N	439.427	5.827	50	40	IKGB	
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@H](Cl)c2ccccc2)cc1/C=C/c1ccccc1	4265882	YSMPRUOJLAHKGO-CXYUPCIPSA-N	443.286	6.933	50	40	IKGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)COc1ccc(Cl)c2ccccc12	6905748	ZOIIRRMMNRTAOM-YSURURNPSA-N	437.710	5.338	50	40	IKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1ccccc1Br	16136944	QXPSCADHNDYUQI-XQNSMLJCSA-N	433.415	5.542	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1cccc2ccccc12	16184417	XMTFWFTXFGTODP-XQNSMLJCSA-N	440.543	5.783	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28216431	ZDDLBXBTCBVKSR-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)ccc1Cl	32581104	AZQMBKLTBRNISQ-LGJNPRDNSA-N	443.330	5.410	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(C)c1	33554957	HMWHXQNNZJIXHX-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1	59137460	NYVVIMNJYIXJEX-PDGQHHTCSA-N	439.437	5.667	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	208255752	UNOURNLBHIQAOG-NSCUCBQXSA-N	437.893	5.845	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)COc3cccc4ccccc34)cc21	208457956	CLGKMEJHQCICMO-NTFVMDSBSA-N	427.548	5.309	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1	408881734	OHONEMOTZXOLNM-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(Cl)c1	408885308	ZCNDYOQWBBGZRA-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cc(C)cc(C)c2)cc1	408885562	BZIRNWAKCNRLLO-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c1C	408968602	XTGHJKFQIJPFST-ZMFRSBBQSA-N	444.362	5.492	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)cc1	409227215	UKLOCWZXNVCDLD-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(C#N)cc1	409372410	MZJCMVNTHLYVCQ-JAIQZWGSSA-N	449.735	6.617	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1	409387567	JASPJOHWAGGJDU-DARPEHSRSA-N	441.918	5.420	50	40	IKGB	
C=CCOc1c(I)cc(/C=C(\C#N)c2cccc(F)c2)cc1OC	409392414	MILFLXFMYPFADC-OVCLIPMQSA-N	435.236	5.068	50	40	IKGB	
N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	720249	SUIHBOMXPJPOLU-GOSISDBHSA-N	446.284	5.576	50	40	IKGB	
COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N	2360600	UNDIEVVMUZISNC-FQEVSTJZSA-N	427.529	5.068	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	2801868	WDVWVHRQKATFMU-XDHOZWIPSA-N	443.909	6.336	50	40	IKGB	
O=C(N/N=c1\scc(-c2ccccc2)n1C(=O)Nc1ccc(Cl)cc1)c1ccccc1	8694202	DIHLKCYJNPLJMJ-VYIQYICTSA-N	448.935	5.196	50	40	IKGB	
CC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl	17095316	CMFYGWSWQKBAHC-YYADALCUSA-N	427.331	5.160	50	40	IKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1	38682030	YIHMADQSTPJCGP-QHCPKHFHSA-N	428.513	5.154	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)c1C	59201413	ZELJRENGJQUNMY-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3C)o2)cc1Cl	67196988	AAQVYZFLSXHCIX-BHGWPJFGSA-N	433.291	5.100	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)Cc3ccc(Br)cc3)cc2)cc1	100062737	PGIXIEZQPPLOTG-MYYYXRDXSA-N	437.337	5.029	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)cc1	408548387	HLQZJEKFEYATQF-QFEZKATASA-N	435.479	6.190	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCCC2)cc1	408678458	ZHFHOFAJBVTCTN-QFEZKATASA-N	428.319	5.618	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc2ccccc12	408888215	TYSYETOLYWIODH-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cc(C)cc(C)c1	408891975	WOWZUZAJXHMIFM-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C)c1	409210043	KNGISFOSSZLYOH-MTJSOVHGSA-N	448.906	6.599	50	40	IKGB	
COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c2c1	871134	UKWRLOOZQXSECH-AUEPDCJTSA-N	434.348	5.101	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)cc3C(C)=O)n2)cc1	1241198	KLBIFDVEEJMOSC-QGOAFFKASA-N	433.533	5.569	50	40	IKGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1	4132222	NVIDGAWTUOJBSX-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
O=C(NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)c1ccc(C(F)(F)F)cc1	14008808	AFJCIXLXMZUSCT-UHFFFAOYSA-N	439.393	5.054	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC	59233095	BBVJVWBIVOUGSU-GZQZNAIASA-N	443.341	5.031	50	40	IKGB	
CCc1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98043370	MKZMONGFFNPKKP-HZPDHXFCSA-N	441.119	5.240	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)ccc1Cl	107902942	MWKJFCGLZUSZJG-SCGZWJMKSA-N	428.916	5.053	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1	408677553	RTXBOVACYXQQMA-ZTKZIYFRSA-N	442.607	5.801	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408791708	BDQPHWIFYPFIIV-LICLKQGHSA-N	449.850	5.078	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cc(C(=O)O)ccc1Cl	408807246	CNWZZYWKFORRHH-YVLHZVERSA-N	437.858	5.131	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1Cl	408982207	CRXYWFNIFFUFAS-STZFKDTASA-N	445.994	6.899	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2Cl)cc1Cl	408988590	IKIMTPIWPAZHMZ-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2c1	409186989	KOISRPWIULAAAC-WGARJPEWSA-N	435.911	5.656	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	409217742	AXRDGLMBFAZIGF-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1Cl	409392923	UCFFCADUMZHGTQ-OGLMXYFKSA-N	428.919	6.191	50	40	IKGB	
Cc1c(C)c(C)c(C(=O)[C@H](Br)[C@H](Br)c2ccccc2)c(C)c1C	2169289	YORUIFVMXANPSV-RTBURBONSA-N	438.203	6.311	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(Br)c1	9355344	XHPMETUJDKEWHV-BHGWPJFGSA-N	437.215	5.492	50	40	IKGB	
O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1ccc(C(F)(F)F)cc1	9805643	VFLLGLSVTVFXBE-OGLMXYFKSA-N	439.437	5.301	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccccc1	33778247	UECBFERLQIIXJV-JLPGSUDCSA-N	449.554	6.642	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1	59254471	FKXZYBFYCQTEOE-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
N#Cc1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)sc2c1CCCC2	100363406	DWQZRDXSSCLEBT-UHFFFAOYSA-N	438.536	6.308	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cn(CCOc3ccccc3)c3ccccc23)c1	207379334	MTVSOEAGOWJOAN-XLNRJJMWSA-N	435.527	5.883	50	40	IKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(Br)cc1	226329027	GXMQYJRPJUGYHV-UHFFFAOYSA-N	448.538	5.568	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Br)cc1	408528482	HSTITKGAJPISHI-HAHDFKILSA-N	440.340	7.245	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	408583413	UIVUPYFOBOZSNY-CJLVFECKSA-N	425.915	7.145	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C	408743592	HABWAOHFNCTRKI-UYRXBGFRSA-N	434.337	5.711	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(C)c1OCc1ccc(F)cc1	408842995	CTIBMCLTTOQHCZ-UVHMKAGCSA-N	440.902	5.204	50	40	IKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Cl)cc3Cl)sc2c1Cl	408971718	PONACMMXABHZKT-HOEBFWFUSA-N	448.158	6.287	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC	409393170	UZLCPBJTQHOJCI-ZSOIEALJSA-N	442.313	5.196	50	40	IKGB	
Cc1cccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1C	3207952	RECMGMSMNSRBLQ-LQKURTRISA-N	425.532	5.144	50	40	IKGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)c1	3663103	QDNQHQDBNQKKQO-HSZRJFAPSA-N	445.632	6.295	50	40	IKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2F)cc1	8842932	KFSWNLOYPQNOGD-CCVNUDIWSA-N	430.401	5.116	50	40	IKGB	
CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)ccc21	9057830	ATGSJZYEVNAYBZ-LTGZKZEYSA-N	448.595	7.531	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	9448566	YZDDHMRVSBDWOD-AVRWGWEMSA-N	446.510	5.047	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cc2ccccc2cc1O	14920477	XHCRABDNVSWTPD-JFLMPSFJSA-N	430.891	5.542	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(F)cc1	16249796	XFWIZCMJYQWPOW-DAPWMZFQSA-N	429.539	5.739	50	40	IKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	28444759	VOMHQPSLHJYABR-VUTHCHCSSA-N	438.527	5.013	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OC(C)C	33658930	VEXSQZUEZGKVRQ-SXGWCWSVSA-N	440.341	5.884	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(Br)c1O	44827428	QPYLEHNONMRFCH-APSNUPSMSA-N	441.350	5.968	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1	59117454	JZXJBPHIURXYTA-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OC	59225075	SINHLTPFWYACSO-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	59474992	FRCAIKSATKGVNE-YVLHZVERSA-N	441.325	5.185	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	408539073	SLDDCSTZQLUGMZ-HKOYGPOVSA-N	448.607	6.987	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Br)c3)c2C)c1	408742528	AOVDZWHWDOGBKM-UNOMPAQXSA-N	434.337	5.711	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl	408799495	ZHJUEQLPAAVEBB-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2cccc(C)c2)c1	408817405	TXIQQVHGFUPRCR-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	408890767	YTYPPMVJVLHPHI-DEDYPNTBSA-N	436.471	5.452	50	40	IKGB	
CC(C)(C)c1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(C(C)(C)C)c1O	409005880	GFGXCJMZEJJHFL-CFRMEGHHSA-N	431.374	5.514	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OC(C)C)c(OCC)c3)cc2c1	409190802	WILGFUFZGMNANQ-MXAYSNPKSA-N	444.915	5.435	50	40	IKGB	
Cc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1	1780861	HHIPEKCDHFHVQK-UFFVCSGVSA-N	449.026	5.035	50	40	IKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)cc1	2303101	VQBRLYMZCCMNEI-XSFVSMFZSA-N	427.529	6.092	50	40	IKGB	
CCO[P@](=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1	3109781	VZRXKCPIZBAUBA-GDLZYMKVSA-N	430.872	5.251	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2	4674122	FSGPXJXFDMLGKG-MTDXEUNCSA-N	425.532	5.222	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1OCc1ccc(Cl)cc1	14407516	JBOGLZGRUGYHAR-BRJLIKDPSA-N	447.318	5.636	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1	34700835	HXTFDWMHSQFZAQ-MOSHPQCFSA-N	440.572	5.760	50	40	IKGB	
O=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccc2ccccc12	34865375	NMBYWNHKJYUOPE-QQXSKIMKSA-N	425.444	5.091	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(Br)cc1	59473582	ZBYGVFITVROICW-LFVJCYFKSA-N	439.378	5.895	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c1C	102524980	KQFNUGKYKYWIGR-QFIPXVFZSA-N	433.533	5.538	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	105064755	MFAZDIGQCULJDL-WPWMEQJKSA-N	439.471	5.020	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	408535048	XIAKMJZEEROFJS-WQRHYEAKSA-N	441.756	6.583	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc(C(=O)O)cc1	408545284	XJTLZVCTHRWRIM-XYGWBWBKSA-N	428.491	6.605	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C)c1	408735699	WFUMOIMTLHUPHN-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O	408760359	XFPXKJOKSZYMRL-DHDCSXOGSA-N	445.390	6.840	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1Br	408775410	GMVOJNZQCKDDDZ-YBEGLDIGSA-N	429.314	5.181	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1	408795545	VQXPOLROTYERFY-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1	409043927	BJRVGHNGWHMEPS-SFQUDFHCSA-N	428.879	5.298	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1Cl	409062830	BJXFEDCFFMVUEI-GZTJUZNOSA-N	440.330	5.955	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](C(C)C)C(C#N)=C(SCC(=O)c2cccs2)N1	9086680	PUTUQHGGAUMUSS-HXUWFJFHSA-N	437.590	5.187	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	9202461	QNUMVAFRUIUBJM-ZCTHSVRISA-N	444.534	6.644	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	9260446	PQHMAHRRXJCNDH-OVCLIPMQSA-N	442.862	5.307	50	40	IKGB	
C=CCOc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1OCC	35074519	SVRIMWICYYFDOW-GDNBJRDFSA-N	449.263	5.458	50	40	IKGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	40476955	SQKSDYVTCXIZHL-GXDHUFHOSA-N	430.316	5.880	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)cc1	216067334	LJEBLDYDOQYOLU-STBIYBPSSA-N	436.515	5.114	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)ccc1Cl	252494792	OFBIPUOTIIOHEN-LDADJPATSA-N	448.906	6.056	50	40	IKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OC	408599567	WMAXWAVWWJRSKR-MDWZMJQESA-N	430.327	5.389	50	40	IKGB	
Cc1c(Br)cc(/C=C(/C#N)Cn2cnc3ccccc32)cc1Br	408691814	RPSBPEFNFAXEBV-NSIKDUERSA-N	431.131	5.477	50	40	IKGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1	408960238	KBCKINFGJYBCJA-LGJNPRDNSA-N	448.862	5.127	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c1C	408968801	ZHUJXFJWCHKFOD-OYKKKHCWSA-N	439.357	5.575	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409043078	POGARRPIMNJQTR-DEDYPNTBSA-N	432.907	5.820	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)NC1CCCC1	409191562	ZCLJOIZDTXZPDV-PXNMLYILSA-N	433.310	5.677	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1	2896393	CVWYHVVWHSQRMS-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12	13321977	VVMANSWEZRHDTO-OGLMXYFKSA-N	432.483	5.162	50	40	IKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OCc1ccccc1	13615782	IEYOMVKQMPSTGD-BKUYFWCQSA-N	442.515	6.601	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc1[N+](=O)[O-]	15989631	SBSJBKYIAPWHAS-WGARJPEWSA-N	439.427	5.827	50	40	IKGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1	16194324	XEEVZDDTBMOHLA-RVWJGDDESA-N	443.330	5.410	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Cl)cc1OC	59336637	ZWBLFYVMBYGZTB-GHXNOFRVSA-N	425.699	5.600	50	40	IKGB	
Fc1nc(F)c(Cl)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1F	97951883	XUQIYDIDTAAMDS-UHFFFAOYSA-N	442.808	5.962	50	40	IKGB	
CCN(CC)C1=NC(C(Cl)(Cl)Cl)=NP(c2ccccc2)(c2ccccc2)=N1	102138812	YTZVUPCQLVVVCK-UHFFFAOYSA-N	441.730	5.234	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)c1ccc(C(=O)O)cc1	408543164	MUFWVSYQSIUMKG-IWIPYMOSSA-N	430.463	6.053	50	40	IKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCC	408598927	LGIKZWMDLHKXRU-NTEUORMPSA-N	444.354	5.780	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(N2CCCC2)cc1	408677179	PUFMPQSEJCSCKL-QFEZKATASA-N	428.319	5.618	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	408764454	WWTVDIHPYGNWKA-MOSHPQCFSA-N	447.332	5.882	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1	408767827	PGPVHFFOTARGNQ-STZFKDTASA-N	429.520	5.436	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)cc2)c1	408779410	DQVOOPISNMPLJG-HAHDFKILSA-N	426.516	5.907	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1ccccc1F	408872712	ORSKAUVEGWIFPT-FYJGNVAPSA-N	448.925	6.323	50	40	IKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408892761	CHEFFLRIAIFYKX-OBGWFSINSA-N	427.342	5.954	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)cc2c1	409186432	BYBQWBVFQLFRBC-VYYCAZPPSA-N	449.938	5.965	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2cccc(C)c2C)c1	409258917	WMDNVLJGHRVUOG-HMAPJEAMSA-N	439.515	5.175	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2	705476	HDOPEVUQHRHQAQ-JOCHJYFZSA-N	447.922	5.010	50	40	IKGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)sc2c1CCCC2	2366342	SDDUOEMOFMWDQA-FOWTUZBSSA-N	447.560	5.229	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]12	9145015	TYGIHYJGPZHSCL-WHENYANWSA-N	431.539	5.403	50	40	IKGB	
O=C(CNc1cccc(Br)c1)N/N=C\c1c2ccccc2cc2ccccc12	12360322	YKVCAZLHRHRSQG-WGARJPEWSA-N	432.321	5.318	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	33534227	UAOUUBLJBUOLOQ-ZHZULCJRSA-N	440.971	6.552	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\C=C\c3ccco3)o2)cc1	107715993	MLTSLDGZPIJEIZ-XMNJROLASA-N	429.476	5.288	50	40	IKGB	
O=C(Cl)c1ccc(OCc2ccc(F)cc2Cl)c(I)c1	217710984	XOANGKFVCMFNCJ-UHFFFAOYSA-N	425.024	5.042	50	40	IKGB	
O=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	226339735	FCSPGKWNZLAZPM-UHFFFAOYSA-N	428.924	6.367	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1	252496681	POMCQEQIETYJPV-XNTDXEJSSA-N	430.813	6.473	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(C)cc(C)c1	408897511	XLFZMRDLLTZCFH-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2C=C(C#N)C#N)nnc1-c1cccc(Cl)c1	409192920	HDLZDQJBPSKEDF-UHFFFAOYSA-N	436.884	5.108	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409372645	OJJPBZGKTPMKNS-MFKUBSTISA-N	428.448	5.026	50	40	IKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2C2CCCCC2)cc1	2231348	MTNDGKFBYWXPIE-IHGQSFPHSA-N	449.580	5.259	50	40	IKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(COc2cccc3cccnc23)cc1	3223176	MANWCAHDDOALNY-OCSSWDANSA-N	447.494	5.437	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1	20195120	UMMJBAOISVYBMH-JFLMPSFJSA-N	436.939	5.237	50	40	IKGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	40486424	PBVHFCDLDNFGCE-FQEVSTJZSA-N	444.984	5.092	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1	100175510	VNVRFPXLYOJIOI-PCMGYVBTSA-N	426.944	5.204	50	40	IKGB	
FC(F)(F)c1cccc(O[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)c1	100295782	SEUPHXGFZPGUQE-KLIQENQMSA-N	426.276	5.121	50	40	IKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	217709013	WZOADROWLILHHF-UHFFFAOYSA-N	438.532	6.113	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408795510	MNHIRKBYIPBXOK-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1cccc(Cl)c1	408883963	VJRONKZSCKTXHV-BRJLIKDPSA-N	447.705	5.630	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1Br	9288115	ZZFVCDPRCQOBIQ-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)c1	12577430	RMFHWJXALOQMQB-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	16917408	DBFPPORQXSBFCX-RVDMUPIBSA-N	440.322	5.336	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1	18192451	HPPLARQTXWFPPV-DEDYPNTBSA-N	446.478	5.358	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	20197702	OYRMDQVLXYEVRG-VULFUBBASA-N	444.362	5.954	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)cc1	34688446	UCXBXLSHYKTNNX-JVWAILMASA-N	427.504	5.028	50	40	IKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	44827340	MTDWEZRPROWOTP-IZZDOVSWSA-N	426.155	7.488	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc(Br)c1O	44827422	DLKZCLILLDEWJC-CHHVJCJISA-N	427.323	5.659	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	96476454	MLRMWOAJFSYVLK-ZHZULCJRSA-N	448.364	5.965	50	40	IKGB	
CCN1c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C	208502833	LVZFYDNHHIRPHP-ZMFRSBBQSA-N	446.378	5.544	50	40	IKGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc1)C2	408734253	MFFPYAFEJBLXNN-WKULSOCRSA-N	435.527	5.446	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccccc1	408746898	HKTPMGNWHFWZDX-XYGWBWBKSA-N	438.527	5.226	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2c(OCC)ccc3ccc(OCC)cc23)c1	408772952	ODQYDITYXLEGGL-RGEXLXHISA-N	430.504	5.582	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2Cl)c1	408889316	CJEZMAWIZNMPEU-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409047173	NHPSEVUKJJUZNG-VDQSNYGXSA-N	431.363	5.849	50	40	IKGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1	409306446	ZYUNOMKFLZRNAI-OAHLLOKOSA-N	446.359	5.012	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc(F)c1	409392869	OGHLMZJUGVXLGS-ZDLGFXPLSA-N	442.715	6.885	50	40	IKGB	
O=C(N/N=c1/scc(-c2ccccc2)n1C(=O)Nc1ccccc1)c1ccc(Cl)cc1	2082694	AXWURPDCVHZJJB-SLEBQGDGSA-N	448.935	5.196	50	40	IKGB	
CCOc1ccc(Nc2cc(Nc3ccccc3OCC)nc(C=C(C#N)C#N)n2)cc1	2315806	YYNPQDDPVCUVSH-UHFFFAOYSA-N	426.480	5.192	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)c(Cl)c1	2773568	CWSYXTCWBDNOEY-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	9057388	HIISOIPRRGKHDM-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	13027801	JKEVWUXYOADCIS-DEDYPNTBSA-N	448.503	6.773	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)Nc1ccc(Cl)cc1	33557985	GHJIAAWLMJKEQG-LGMDPLHJSA-N	449.869	5.042	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccccc2F)c(C)n1-c1ccc(I)cc1	109033834	IVMITYIBBQSGOL-SFQUDFHCSA-N	442.275	5.902	50	40	IKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CSCc2ccccc2)cc1	408784415	BQGOBSKKEUOXMP-JVWAILMASA-N	426.541	5.743	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1	408790978	ZUECSLIULNWSIB-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408793570	FKTFOEOTKFSNOX-NTUHNPAUSA-N	435.705	5.055	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408796245	OPKXGTNIIHHTIZ-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)s3)C3=C2CCCC3=O)c1	705439	OVNMHZMGZBSFHE-LJQANCHMSA-N	440.366	5.124	50	40	IKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(F)(F)F)n2)cc1	2203251	BSHWVEGSMVXAGR-QGOAFFKASA-N	427.495	7.004	50	40	IKGB	
N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Br)cc2)cs1	9075501	FMODYQSZTREEIZ-XFXZXTDPSA-N	445.273	5.596	50	40	IKGB	
N#C/C(=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12)c1nc2ccccc2[nH]1	9311740	OWYOOMUZIHZVIV-FOWTUZBSSA-N	443.337	6.937	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)c1	9445815	FVEKWUCFAWRYMO-RVDMUPIBSA-N	426.339	5.866	50	40	IKGB	
CC/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccccc1	12566554	LKFQWPBHBVGTBP-KDJFERLWSA-N	434.539	6.477	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1F	33740163	BTCXENUQMMWZEI-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	40910615	FCUIQLBFGBDQMA-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cc2ccccc2cc1O	58928051	BFRWNLNBERIUSG-JFLMPSFJSA-N	430.891	5.542	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21	223477893	CKYBYCMWCUGJEK-MTDXEUNCSA-N	426.564	5.652	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl	408581281	VYAZLIWOAFARIF-CXUHLZMHSA-N	432.709	7.429	50	40	IKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	408761247	CUTFRBQFKZGPQQ-LFVJCYFKSA-N	425.554	5.419	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	408826811	TUBXTRLZHBJGNL-YZSQISJMSA-N	449.348	5.296	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1	408842359	JJAYEFGAGWXDNQ-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccccc1	408872741	PMKGNMFHJVWVMS-XQNSMLJCSA-N	426.516	5.772	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cc(C)cc(C)c1	408884686	UUVVGGXLEANCMF-OEAKJJBVSA-N	444.962	6.644	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1	408908888	SWZSSXPOOBSGBM-OGLMXYFKSA-N	438.612	5.777	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3)o2)cc1	408946065	OTUWYAHNNIKXIT-COEJQBHMSA-N	445.522	6.477	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(I)o1)c1ccc(Cl)cc1	408955122	WKCPJBJCOHAJMR-UITAMQMPSA-N	434.458	5.364	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1cccc(Cl)c1	409063937	AUINRANTTYCWSN-BUVRLJJBSA-N	429.947	7.110	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2o1	409074564	MYSILCSOTPFQRZ-DTQAZKPQSA-N	436.876	5.313	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc(Cl)cc1	409193344	JEVDKUHTOXNHJF-MUFRIFMGSA-N	437.930	6.260	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409351945	XUVKSITYSIQOMZ-KKMKTNMSSA-N	446.309	5.274	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Br	3671275	VYUFDBSYVWWCFT-AFUMVMLFSA-N	432.321	5.216	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc(Cl)c1Cl	9261694	ZOPAMUHLCSXBRO-SFQUDFHCSA-N	441.289	6.257	50	40	IKGB	
Cc1c(Nc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C	9491761	SQUXZHOQQCJEFD-OQKWZONESA-N	434.499	5.018	50	40	IKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1Cl	13688503	AVPDTURSHZPLEK-PKAZHMFMSA-N	448.979	5.371	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OC	14151930	PEGDSVFGDFXOBA-RIYZIHGNSA-N	441.940	5.105	50	40	IKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1c(Cl)cccc1Cl	16439577	NYSFPMUSQCODFK-ONNFQVAWSA-N	440.080	5.030	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	20764159	DMTWNTUAQWXZQM-JFLMPSFJSA-N	431.923	5.506	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)c(C)c1	28215975	RNBRJGJCKFETDI-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl	59336567	RBZGJZYZLAZNSU-ATVHPVEESA-N	441.289	6.257	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1	104110851	DSLGGDNTIFVRDO-DEOSSOPVSA-N	443.572	5.945	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1O[C@@H](C)CC	408542114	HEERUFOQEGYLQF-KPYNCUPYSA-N	444.325	5.787	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	408583696	WRZAGZPJMXYTMM-VCHYOVAHSA-N	444.745	7.299	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(F)cc3)cc2-c2cccc3ccccc23)cc1	408725380	OJSJMGVICVFUGK-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc2ccccc2c1	408757110	WVDPQHHBICEOOH-SFQUDFHCSA-N	443.846	6.207	50	40	IKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)cc2)c(C)c1	408803862	UDUFRDQTRFWIHH-HYARGMPZSA-N	444.962	6.698	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])c1	408888527	WRBDXMASYUEBKX-CPNJWEJPSA-N	431.423	5.167	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)cc2c1	409187438	QJHPFWZXDSPUJP-ZMOGYAJESA-N	433.420	5.072	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409359970	CRMANOOPWSVHGE-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)NC(=S)N1	409373438	SUKBNFSJBAYUCP-IBGZPJMESA-N	429.948	5.401	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)s1	2109675	MPVYCIGKCGCPIP-JVWAILMASA-N	427.573	6.333	50	40	IKGB	
O=P(/C=C\P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	6844521	XCPRKTNRPCFQOZ-DQRAZIAOSA-N	428.408	5.486	50	40	IKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1	9109977	XUODBSROMNLLOX-LQKURTRISA-N	449.514	5.209	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1	9203527	AFIAFEUMJJITGK-ZMOGYAJESA-N	444.760	5.203	50	40	IKGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1	59702415	VNVRFPXLYOJIOI-CIFGYTKUSA-N	426.944	5.204	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)cc1	107676106	ZPVBWBOEAXMWHD-DEDYPNTBSA-N	445.569	6.147	50	40	IKGB	
C[Si](C)(C)Oc1cc(/N=N\NC2=CC(=O)c3ccccc3C2=O)c(O)c2ccccc12	231968802	VJWQDOKFGWPERK-UHFFFAOYSA-N	431.524	5.311	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	408592511	YUYVIQSHGZTJMP-ZMOGYAJESA-N	444.760	5.203	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)Sc1nc2ccccc2[nH]1	408599480	VLRZOHJFXTVJLU-FYJGNVAPSA-N	431.524	6.094	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1C	408599646	YBWQUCZXTMSCEQ-WOJGMQOQSA-N	445.504	5.544	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccccc1Cl	408843193	DZDZGVADWQGISW-MBTHVWNTSA-N	441.918	6.162	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc2ccccc2o1	408845175	LIQZBPYAEDNHMR-ZMFRSBBQSA-N	439.298	6.083	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408891983	WTOSGUARKHDOJU-XQNSMLJCSA-N	448.478	5.663	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12	408893964	HGORLOXXIAKLLO-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12	408953966	QROCMZACNZRLLL-LGMDPLHJSA-N	447.947	5.831	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1Cl	408989665	UXORPZMPIIZOBW-XKZIYDEJSA-N	431.967	6.725	50	40	IKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(Cl)cc1Cl	409109580	HPMDMMIYSFUUIP-FMCGGJTJSA-N	446.315	5.817	50	40	IKGB	
Cc1nc2c(o1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1c(Cl)nn(-c2ccccc2)c1C	1073656	HKRMVFVRAUMWQN-FQEVSTJZSA-N	442.910	5.108	50	40	IKGB	
COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	1805722	ITSJWIFADKRGEJ-DEDYPNTBSA-N	430.529	5.871	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1	2849292	IXNJYTWZWBGQII-GIJQJNRQSA-N	438.842	6.039	50	40	IKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2)cc1	3112145	CUNONNKNHJOJQD-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(F)cc1	4196161	FRJOLMJDDVSBHD-BOPFTXTBSA-N	441.289	6.257	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Cl)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	5632812	JWVMDCGVUCHMAE-HTTNMUSBSA-N	437.108	7.009	50	40	IKGB	
COC(=O)c1cc(Br)ccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	9805807	YOIYDSCLWDXLRO-JLHYYAGUSA-N	448.276	5.436	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151782	NZBFNPGNUWWFJC-XSFVSMFZSA-N	439.540	5.623	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(Cl)cc1	16268390	QZKNEJNTFXQVSW-RWPZCVJISA-N	441.918	6.411	50	40	IKGB	
N#C/C(=C/c1cccs1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	16430429	WIFFHWKEIOYARW-GHXNOFRVSA-N	441.331	5.805	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(C)c1	20194777	XKTPHUALCQUKNM-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1Cl	23217483	ZLPFMEMLRMJZTF-FMIVXFBMSA-N	428.231	5.707	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)[nH]c2c1	33850037	DKZKFICENOWBGF-QNGOZBTKSA-N	433.486	6.807	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1F	59921719	LMHSVBMAGZKWMU-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C	118924089	WTPUAOBDIFVQRT-JZQQPFIGSA-N	449.163	8.652	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(Br)c3)cc21	208250944	RFKFVZGWZGAQPR-LFWZTCNZSA-N	448.792	5.588	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br	408587408	FROUYEIYHLKLJP-ZMOGYAJESA-N	444.760	5.203	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408787681	DNFOPQHWJXGNHS-NTEUORMPSA-N	447.716	5.222	50	40	IKGB	
CC[C@H](C)Oc1c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cccc1OC	408904296	HPPGHXBCOMCUAS-ZDXHCBJDSA-N	434.334	5.099	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1	408914727	XHXASHVYTXASGI-VULFUBBASA-N	445.346	6.043	50	40	IKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(F)c(Cl)c1	408993805	FYPZFHCWLMKHKH-OPEKNORGSA-N	434.298	5.069	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1	409017235	XZOVCHLKZOCQMK-QINSGFPZSA-N	440.977	6.497	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)c1O	2763393	BCIGBXMLEGQQON-LQKURTRISA-N	439.515	5.503	50	40	IKGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)n1	3319933	ULWZXEMFHJNYFV-RPPGKUMJSA-N	444.482	5.168	50	40	IKGB	
CCOC(=O)CC1=CS/C(=C(/C#N)c2nc3ccccc3s2)N1c1ccc(C)cc1	3326536	GAYQCEFHKCZDOM-NKFKGCMQSA-N	433.558	5.845	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057383	YRRDTGGHJDKQJF-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1cccc2ccccc12	9489283	IDGIKWQGDATRLH-AJBULDERSA-N	444.534	6.265	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2[nH]1	23723543	TWSWJJNZJOCTGZ-FMIVXFBMSA-N	435.237	5.558	50	40	IKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br	33411310	OHSVFKVLLBOEOB-WDZFZDKYSA-N	426.097	5.310	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Br)[C@@H](C)CC(C)(C)N2C	208212256	XAYZGINBSGFNRR-MMTYYTLLSA-N	428.374	5.243	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1	408795728	WALQCOPUTBBMGY-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc12	409029974	BCNVXVBPJPQYNM-FSGOGVSDSA-N	445.522	6.218	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl	409054060	QRHIFTKZDXFJAS-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	409187400	PZWHJCQXXHBZMH-ROTLSHHCSA-N	444.438	5.019	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)o2)c(Br)c1	409244834	JHCGRJVNQVYIMY-PTNGSMBKSA-N	432.239	7.101	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O	1454018	RRSQYUZYXFDWQY-LJQANCHMSA-N	442.327	5.553	50	40	IKGB	
O=C(COc1ccc(Br)cc1)N/N=C(/C=C/c1ccccc1)c1ccccc1	2134535	QTNUNKGWPNCRLB-DSQCQZHCSA-N	435.321	5.062	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc(Br)cc1	2967021	ACXKSRLEYDTFSW-UDWIEESQSA-N	434.289	5.790	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1ccccc1Cl	8410778	NLNZDFCCCCYWAI-NRFANRHFSA-N	430.939	5.996	50	40	IKGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc3ccccc3c2)nnc1-c1ccc(C)cc1	9763125	YULDJZQFQUBXPQ-NLRVBDNBSA-N	443.576	5.059	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1	12564865	LMUSDELPFRNPKF-CWLSQAQVSA-N	433.766	6.355	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3C)c3ccccc23)cc1	20198117	TVHHUPNOEHISFV-RDRPBHBLSA-N	439.559	5.859	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	59224959	SJXCYWJBAYKBQZ-XSFVSMFZSA-N	432.907	5.863	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1	59245185	DBILWILLHBGQIW-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CCCC[C@H]3CCSS3)C2)n1	225541202	LZSRQOPGYHOICS-MOPGFXCFSA-N	445.654	5.540	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl	408792906	BYMCYKGPFLOBAQ-LZYBPNLTSA-N	447.318	5.098	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl	408882230	NCNNLQQZZVDTPM-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CC(C)(C)c1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(C(C)(C)C)c1O	408904963	RDOYHOUTKCROHO-MXAYSNPKSA-N	437.496	5.406	50	40	IKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	408925971	VHVVBYBRXONRFZ-GHRIWEEISA-N	437.282	5.758	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C#N)cc2F)cc1	408964669	DBMNXZCWNJISBG-OKCVXOCRSA-N	437.474	5.502	50	40	IKGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	2070362	RVHOKGZRRABXCM-OGLMXYFKSA-N	440.568	5.802	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)c(Cl)c1	2764756	YVZFYJBDBXATIC-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1	2805789	PSGSSCGMXVLZBI-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1Sc1ccc(Cl)cc1	34881139	YXQMFHAKBVRWCT-OEAKJJBVSA-N	425.897	5.092	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1	59137157	HZAGHGLBPIYFSB-YBEGLDIGSA-N	428.294	6.086	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1	59245204	ZETJHJYJSUIJFA-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1cccc(Cl)c1	59488978	NFBYFMTZYQJASI-ZCXUNETKSA-N	430.898	5.875	50	40	IKGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)c2ccc(F)cc2)c1Cl	408807746	FCLZFKBAFHCHHR-GXDHUFHOSA-N	445.277	6.710	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1	408816435	YTTPVGQMQXUPED-DAPWMZFQSA-N	445.994	6.253	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)cc1	408816561	UBNNJRHDNZRZGP-NGNZWAJUSA-N	438.955	5.529	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1	408872403	MRTPAVKLLUZQEF-CJLVFECKSA-N	445.360	6.148	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccccc1Cl	408976146	PQRQXYOZQJZQPC-QMFBSOLUSA-N	426.944	5.204	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1C#N	8861401	JUVYSGKSSMBMIV-JVWAILMASA-N	428.492	5.000	50	40	IKGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1	20132721	MBKMRNJNQSLLLC-CQSZACIVSA-N	437.334	5.517	50	40	IKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1	28350645	NRFQWFQPMBNWFP-PKAZHMFMSA-N	448.979	5.371	50	40	IKGB	
FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)c1	71790022	SEUPHXGFZPGUQE-ZWQIFLOQSA-N	426.276	5.121	50	40	IKGB	
CCOC(=O)C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1	195941761	VKHVAGVBCANCSM-RTBURBONSA-N	428.762	6.441	50	40	IKGB	in-vitro
Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)cc1Br	408598568	DQSFDLZZIILTLA-LFIBNONCSA-N	436.334	6.551	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408861752	AEVGUEDEUOOIEB-VUTHCHCSSA-N	441.575	5.188	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408919817	CUZDCXJHVRDLJP-HMMYKYKNSA-N	442.519	5.262	50	40	IKGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408984478	RLIUWKALWNGCDH-JAIQZWGSSA-N	447.922	5.608	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc2ccccc12	409017164	VDLJHGPUNKUJPW-VEILYXNESA-N	426.516	5.701	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	409186188	YKGKJJPFALIWFL-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409222545	DTBSGQNDEBCMMP-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1	409258208	WZMWZHLFTDNHIC-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	2669453	IOFBWSUSMVZVSJ-VGOFMYFVSA-N	448.762	6.240	50	40	IKGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	3340780	WQNUZYHYEDGEEJ-LQKURTRISA-N	444.462	5.194	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)s1	9292104	OTJKIPUCGDNJMN-NRFANRHFSA-N	440.528	5.244	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1	9311776	IBRFDCNBTBVKFF-UQQQWYQISA-N	447.582	7.091	50	40	IKGB	
C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCCC)cc1C	16701230	BIEOCBUYXLMAMR-FXBPSFAMSA-N	440.547	5.236	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1	83263153	ATSDGCPBBSFGQF-HAHDFKILSA-N	441.531	5.433	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	209405576	WRNNIBUZBOFXNF-VXLYETTFSA-N	428.746	7.598	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2ccccc2c1	408548499	HVSDJSCDZLIPRQ-LDADJPATSA-N	445.272	6.835	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1C#N	408799580	ZNMWXBOSBNHDAQ-UDWIEESQSA-N	443.890	5.345	50	40	IKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408801327	VGCQBLNLBAMHHC-QAEAHILHSA-N	426.347	5.818	50	40	IKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12	408811535	KKEFCBBTYADSMA-YAJBTMAUSA-N	436.353	5.274	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	408962775	UVTMWELPSAMUHQ-ZROIWOOFSA-N	441.270	5.806	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(Br)c1	409063547	BZIQMHRJQWRDPK-ATVHPVEESA-N	426.766	7.318	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)o2)cc1	409064473	POZZHTAFXNOUNJ-CAPFRKAQSA-N	444.487	5.458	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409073266	LRFGSXACTQROCB-ATVHPVEESA-N	439.367	6.999	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1	409187707	AUWSVRYRQNBABA-YVLHZVERSA-N	445.346	5.547	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCCC1	409372106	ORJMBZWHRNHDHV-GZTJUZNOSA-N	445.744	5.211	50	40	IKGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	2635590	VMPJLGPLARYZDG-UKTHLTGXSA-N	448.807	5.538	50	40	IKGB	
O=C(N/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccs1	4108999	QZNGJYWEVTXORM-FSJBWODESA-N	440.981	5.420	50	40	IKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc1	4136060	VRCBFIOXFGNPDE-HPNDGRJYSA-N	438.568	5.165	50	40	IKGB	
COC(=O)[C@@H]1C(O)=NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1C	9012624	MFWSLHYPMJUUSZ-GOTSBHOMSA-N	442.540	5.660	50	40	IKGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1Cl	12498705	TXEADMKZXCFYIJ-YCPBAFNGSA-N	438.664	5.618	50	40	IKGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccc(COc3ccc(Cl)cc3)cc1)C(O)=N2	13100342	UAUWXCMSEIAXSJ-UHFFFAOYSA-N	447.922	5.778	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c(C)c1	20195334	ZYCXMEPCUUDMNN-RWPZCVJISA-N	429.951	5.653	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2C#N)cc1	20197834	ZDNCCTRSSCKLEZ-LQKURTRISA-N	447.922	5.343	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	28216081	WLDUVCZLXSQAQC-BRJLIKDPSA-N	429.948	5.270	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(F)cc1	408549500	UPTGYNCHJGJENM-FMCGGJTJSA-N	443.905	7.284	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F	408578788	AWKIIKDQYYUDTP-LICLKQGHSA-N	428.290	6.784	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12	408743270	FLDMXHUSAKGLEV-UQQQWYQISA-N	441.534	6.697	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc(C)c1	408747099	ZMQRSVFMJWYAPO-JCMHNJIXSA-N	442.515	5.527	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1	408752063	BNEBSGKZKSAGTQ-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1	408789773	LFTDJBZUKLOSDC-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408897476	XGGLWVAQTKXXFJ-NTEUORMPSA-N	431.706	6.761	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1	409388958	AADTUYPBQOTBHC-GRSHGNNSSA-N	438.296	6.240	50	40	IKGB	
CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1	2310162	DEPGZGTVPYPALM-LJQANCHMSA-N	439.968	5.174	50	40	IKGB	
N#CC(C#N)=C(Nc1cccc(C(F)(F)F)c1)SCc1c(Cl)cccc1Cl	2358115	AMCYPBCXEAGSGN-UHFFFAOYSA-N	428.266	6.616	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)c(OCC)c1	3100991	RKFHOCGNEOWGJW-WPWMEQJKSA-N	432.520	5.135	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(F)cc4F)cc3)[nH]c2c1	9187399	JXCAWVLVTWERAO-GZTJUZNOSA-N	444.441	5.231	50	40	IKGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC	15134851	YLAVBFJPPMAXMX-OVVQPSECSA-N	440.584	5.337	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccccc2C#N)cc1	18272145	YBUADXWWPRWINL-SSDVNMTOSA-N	429.483	5.146	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(C)c1	20195312	LXRQRVVTQMLWAD-OCSSWDANSA-N	440.518	5.868	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccccc1F	28217043	QKVYJXIURAWIQO-AFUMVMLFSA-N	429.948	5.519	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	33568113	OMJUDCLYBOVDOX-WYMLVPIESA-N	427.287	6.198	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C1(CBr)OCCO1	118914684	PXLRPEYMUKKRQS-NOECQHEYSA-N	441.450	5.144	50	40	IKGB	
CC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3[C@@H](Br)[C@H](Br)[C@]12C	123184519	WYNYTPSUJSFJAQ-NCRSQOLBSA-N	446.311	7.192	50	40	IKGB	
CC(C)(C)[Si](C)(C)Oc1cc2c(s1)CCN([C@@H](C(=O)C1CC1)c1ccccc1F)C2	201574143	JXKWYJOETGEQIV-JOCHJYFZSA-N	445.676	6.350	50	40	IKGB	in-vitro
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	223168644	XMOCMJAGOJXZII-ZHZULCJRSA-N	438.358	5.667	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(C(=O)O)c1	408540705	BAAASTZSTDKDAT-OYKKKHCWSA-N	448.478	5.663	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1Cl	408579938	LPWXNLWOZKIADX-CXUHLZMHSA-N	449.164	7.943	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1	408743893	CFUHQDJBPLCRLS-UNOMPAQXSA-N	449.938	5.701	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1cccc(F)c1	408873488	UTNIJLYVDODPQL-KEBDBYFISA-N	448.925	6.241	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	409238679	NJXVUTFWXYSTFB-PRFTXADPSA-N	446.550	6.512	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c3ccccc32)cc1	409239217	HAJQSSYUSVPJOW-BWAHOGKJSA-N	433.555	5.654	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	2670442	IWQGVZYWCRXJHN-FOWTUZBSSA-N	429.314	5.182	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(Cl)cc1	12649432	GHCBBLSBOOCYPZ-OGLMXYFKSA-N	429.907	5.621	50	40	IKGB	
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NN(c1ccccc1)c1ccccc1)c1nc3ccccc3nc12	16739530	CHJOBZTUWJJCAQ-URLMMPGGSA-N	448.570	5.828	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1Cl	35167076	RHPJMGNQFYRBQM-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccccc2Br)c1)C(=O)c1ccccc1	59399104	UHVYALYTGWJRMA-QGOAFFKASA-N	432.273	5.458	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	59920852	HJDKEWNOCQOXAL-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	100703060	CVOAUNDHUPBQKK-KRWDZBQOSA-N	437.348	5.559	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cccc([N+](=O)[O-])c1	108973042	VGJWQVSSFZVOPJ-GHXNOFRVSA-N	430.203	6.134	50	40	IKGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C1(CBr)OCCO1	118914682	PXLRPEYMUKKRQS-JOFXYRRGSA-N	441.450	5.144	50	40	IKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	408601165	IVPKVGVOFLELQS-OYKKKHCWSA-N	425.872	5.615	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1	408757186	VKLWDDJCUVQWJT-SFQUDFHCSA-N	437.282	5.758	50	40	IKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)c1	408758968	VSNURAWGFKKBDL-BOPFTXTBSA-N	435.277	5.457	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)n1-c1sc2c(c1C#N)CCCC2	408800142	LBCZBIVZAIRNCL-LXBMGGFWSA-N	446.620	5.508	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888406	ZPKZDBHSWNBTBX-YCRREMRBSA-N	431.062	5.754	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cccc(F)c1	409391128	HMDMQUDYWICOKC-NVMNQCDNSA-N	426.260	6.370	50	40	IKGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)c2)c1	2100784	ITQCQKOLWPLEDJ-BRJLIKDPSA-N	442.302	5.024	50	40	IKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	8842928	ORJQKGRYLZFVKY-KBKYJPHKSA-N	441.236	5.965	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OCC)c1	9330609	BEYMOAAKTOSLFY-DHDCSXOGSA-N	445.371	6.978	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	9693294	WOIJGXOZNCVDTI-SFHVURJKSA-N	442.009	5.590	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1	15225767	AHXILJKLNDSIGZ-BKUYFWCQSA-N	443.503	5.045	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1	20190265	AMOBHYPWVZWRHF-OAQYLSRUSA-N	449.016	5.539	50	40	IKGB	
N#CC1=C(N)OC2=C(CN(Cc3cccs3)C/C2=C\c2ccccc2)[C@H]1c1cccs1	20459304	FVMQSNBQSVWXJG-SJQUQUAPSA-N	443.597	5.471	50	40	IKGB	
CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1	100179625	HFUKTYQEBIZBMF-SDXDJHTJSA-N	443.528	6.072	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC#N)CC[C@]4(C)[C@H]3CC[C@@]21C	118932770	PFFFOIVMEXOESX-QWDJEJJDSA-N	427.742	8.611	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl	207157784	GSFBHIWEWSNGNB-SXGWCWSVSA-N	433.733	5.113	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1	408550110	DRFJJELDTSCCMP-HAHDFKILSA-N	430.334	7.790	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C/c3cc(Cl)cc(Cl)c3OCc3ccccc3)[nH]c2c1	408735473	QLQMIZRMUVAWMT-VCHYOVAHSA-N	434.326	6.821	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OCC)c2)cc1OCC	409315335	VBHRJNBOAJZIEZ-MYYYXRDXSA-N	448.947	5.089	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409382024	JXHNTVOPHFQPNQ-DEDYPNTBSA-N	428.923	5.439	50	40	IKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2cccc(Br)c2)cs1	1825715	FZUXREKRUOXEKZ-JLHYYAGUSA-N	448.292	6.151	50	40	IKGB	
O=C(c1ccccc1)[C@H](Br)[C@H](Br)c1ccc(Br)cc1	3157229	NURZGIQYHBZOMU-ZIAGYGMSSA-N	446.964	5.532	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1cccc(C)c1	4196588	YWNKCWHQBZSQEV-NLRVBDNBSA-N	433.508	5.007	50	40	IKGB	
CCCCCN(CC#CC(CCC)(CCC)N(CCCl)CCCl)CCCCC	4772701	RZIGBLHWKFLYCP-UHFFFAOYSA-N	433.552	6.791	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1	6573665	FUWBAFQZBOGICK-KAMYIIQDSA-N	427.287	6.198	50	40	IKGB	
Cc1cc(SCC(=O)NN=C2CCC(C(C)(C)C)CC2)c(C)cc1Br	6982436	NTNIFJCXDKVACX-UHFFFAOYSA-N	425.436	5.867	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)c1ccccc1	12622332	ATFAHFQLXBHDQX-RCCKNPSSSA-N	433.467	5.100	50	40	IKGB	
CSc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1	13471563	OWPVDYIYFRAMPL-SJQUQUAPSA-N	447.629	5.221	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	20764324	TXYSLPBIIKGMRW-DHRITJCHSA-N	430.335	5.564	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1[N+](=O)[O-]	58871433	GGDHMINUIIGAHX-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1cc2ccccc2o1	83252436	MMNUWAJRKARURX-QFEZKATASA-N	449.304	5.538	50	40	IKGB	
CS/C(=N/N=C(\C)c1ccccn1)SS/C(=N/N=C(\C)c1ccccn1)SC	104234556	IPXCKVUYVWXLKW-XFWOBHAKSA-N	448.668	5.444	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](C)[C@@H]4C(C)=O)[C@@H]3C[C@H](Cl)[C@@]2(Cl)C1	118918132	PYBGGSNABBXWHO-QMFIDFHESA-N	443.455	5.991	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1	408793784	GMZWZCNYCKRPCL-LPYMAVHISA-N	441.918	5.899	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1	408808610	JQJLPBPGNLPBRB-GVRUPNCLSA-N	432.523	6.203	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OCc1ccc(Cl)cc1	408895507	KXTBHNALYSBHNH-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
O=P(O[C@@H](c1ccccc1)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1	3177049	PXJMKVQIUUMYRG-IBGZPJMESA-N	426.321	5.871	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1ccccc1Cl	58835082	BMIDXPIWVAWWLA-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl	59336565	FIDCPRWJUVXXGO-ATVHPVEESA-N	441.289	6.257	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1	209400961	MANIHNQGANHYCB-LPYMAVHISA-N	448.360	6.799	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	408566915	JDJRRMNIBUQWAN-VUTHCHCSSA-N	444.575	5.655	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1	408579532	HJGMUQZFPLCGNC-VCHYOVAHSA-N	442.317	7.174	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1	408718765	HDKZOZKCHZOFGO-GJJHQJINSA-N	440.971	5.594	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1	408814177	ODTSWTWFFVKXAL-XIEYBQDHSA-N	446.550	6.835	50	40	IKGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1	409022299	MNJZEOOUPGBONH-VYYCAZPPSA-N	429.863	5.301	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccc(C(F)(F)F)cc1	985620	LRHZSWPSOPYAHJ-LJQANCHMSA-N	432.405	5.467	50	40	IKGB	
Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N/N=C/c5c(O)ccc6ccccc56)(C4)C2)C3)cc1	1883540	CLJJGUDVUYJPBR-DWCHQAFISA-N	438.571	5.842	50	40	IKGB	
CCCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	2754349	ZDIOJUDZEQMHJO-MTDXEUNCSA-N	425.532	5.632	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	3025179	UDUKDLIKAZGHCR-JVWAILMASA-N	430.891	5.796	50	40	IKGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c1	9344477	ACORRDLYQVZUND-SAPNQHFASA-N	436.496	5.469	50	40	IKGB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)n1	225541296	LZSRQOPGYHOICS-RBUKOAKNSA-N	445.654	5.540	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)c1ccc2ccccc2c1	408550991	LFMXXFJAQBFDPL-VEILYXNESA-N	436.514	7.508	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408805977	DIBQWYZAZXIONY-NTEUORMPSA-N	441.270	5.806	50	40	IKGB	
O=C(NN=C1CCCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408862681	LHMJTTGXTWUHTA-RUZDIDTESA-N	435.593	5.291	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1	408879190	BECCWEOOBAIUAI-HYARGMPZSA-N	434.461	6.459	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	408999705	SCANPCRQVHQDDL-YSMPRRRNSA-N	426.476	5.228	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1Cl	409051526	DTCLYVCJTUGSMU-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1OCC	409320414	AROCHLWKCAIXQA-VEILYXNESA-N	446.547	5.525	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1	30738522	PEFJUZUGYKELQB-NQQNOTTHSA-N	430.504	5.050	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1	59447321	GVIVISYCBYXSBU-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CC/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(OC)c(OC)c1	59473537	UCTCJPXHHFNUBD-SLEBQGDGSA-N	448.588	5.681	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408720050	WIRIDZWKVAPYIC-GZTJUZNOSA-N	438.745	7.109	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(F)cc2)c1	408800677	OKVMLVMXQISKOT-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1	408961431	CEYHTTWGCOHFRR-DHRITJCHSA-N	430.464	5.129	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)[nH]c2c1	409389827	ASJICYYQUQWKMV-AQTBWJFISA-N	447.498	5.229	50	40	IKGB	
Cc1cc(C)cc(NC(=O)[C@@H](NNC(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc2)c1	13134126	IRCVWQWAUQTDFD-MFWYUJQYSA-N	445.607	5.211	50	40	IKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)Cc1cccc2ccccc12	16137003	DARAYVWHCGMZTD-VULFUBBASA-N	428.319	5.210	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1O	23215282	QXMDCZCHUJAAHC-ONNFQVAWSA-N	442.096	5.016	50	40	IKGB	
CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CCl)cc1	141636898	BRBNZJSDQOEXRB-UHFFFAOYSA-N	436.939	6.692	50	40	IKGB	in-vitro
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1	169305782	JIUOFWOOWFTSGM-SSRJJVFRSA-N	437.543	5.676	50	40	IKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccc(C(=O)O)cc2)c1	408542553	MEMXECAJCWRAMU-MTJSOVHGSA-N	448.316	6.099	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCCC2)cc1	408676701	MLGVNOSAILTGLE-BUVRLJJBSA-N	438.325	5.073	50	40	IKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(C(F)(F)F)cc1	408760000	PSCDDXXNEOGQLJ-XMHGGMMESA-N	445.444	6.363	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(Br)cc1OC	408779552	YILUSMMGAYUWCW-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	408783591	NHQBDWQVDBXXDL-ULJHMMPZSA-N	432.523	6.581	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc(C)cc1	409075225	PXKAOORBMSHNAS-HZHRSRAPSA-N	435.527	6.252	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	409363084	KXDRKWMNASUQBF-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
O=C(CBr)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12	1703592	VQXKXIJIHCWSDO-UHFFFAOYSA-N	429.528	6.440	50	40	IKGB	
O=C(CCSc1ccccc1Cl)NNC(=O)c1sc2ccccc2c1Cl	2628481	PXZHGOYDCINCIX-UHFFFAOYSA-N	425.362	5.152	50	40	IKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)o3)c3ccccc3n2)cc1	2769451	SOFNUOLEXYYXRX-OQIQZUQJSA-N	440.547	5.838	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	13590395	CZYWSHCSCFZFOA-CVKSISIWSA-N	427.331	5.655	50	40	IKGB	
COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)c(C)c3)o2)cc1Cl	22637058	VESJDNWATFLQFV-BHGWPJFGSA-N	433.291	5.100	50	40	IKGB	
N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2ccccc2s1	33510366	ZRTMLLPJIAGYBK-VKAVYKQESA-N	430.558	5.321	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	59418905	MSHQTIMUMZZLCZ-MTDXEUNCSA-N	430.548	5.726	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc2ccccc2c1	107715750	IYDSWHXSCCMQFM-QFEZKATASA-N	435.479	6.190	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2[C@H](C)CC1(C)C	260572598	XCOOHCYIZGUJQC-AZGMEOBCSA-N	445.529	5.899	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1Br	408582689	OYRYJPVGAXTQOW-OQLLNIDSSA-N	447.126	5.296	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1	409253894	GXBFMXHZUZMHOC-KGENOOAVSA-N	427.460	5.293	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1COc1ccc(Cl)cc1	1002719	ZTKDETAUYPTBFI-XMMPIXPASA-N	448.950	5.659	50	40	IKGB	
BrCCCOc1ccc(Oc2ccc(OCCCBr)cc2)cc1	1646492	BYSWXMQDQWORLO-UHFFFAOYSA-N	444.163	5.807	50	40	IKGB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)c1	33536323	QAZLWZXRIPDQHD-LTGZKZEYSA-N	445.526	5.889	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OCC	59473049	BADJCNPKZQUBFC-OVVQPSECSA-N	446.572	5.706	50	40	IKGB	
Cc1ccccc1/N=C(\O)CSC1=C(C#N)[C@@H](c2ccccc2C)C2=C(O)CCCC2=N1	103707563	LYWGDUCWGCPDMC-XMMPIXPASA-N	443.572	6.594	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)[nH]c2cc1C	408542399	IOTPTDIJBUMQRZ-XQNSMLJCSA-N	429.523	6.976	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1C1CCCCC1	408746361	YPTAPNZIVXITSQ-AQTBWJFISA-N	426.358	5.918	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408802978	JVDQOXCFQBUPDP-NTEUORMPSA-N	442.258	6.016	50	40	IKGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)c2ccc(F)cc2)c1Cl	408811247	AJOJZIBKDRTHEK-SDNWHVSQSA-N	445.277	6.710	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(F)cc1	408859842	ZVJLCRNHLICUHC-LGJNPRDNSA-N	425.891	5.831	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2C)o1	409133646	NQFBXKACNOZKHN-XMHGGMMESA-N	444.487	5.375	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	855608	JKPQGRHAJBOBCZ-MFKUBSTISA-N	428.448	5.026	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1cccs1	989282	IWBAQMGMKMSRRL-IBGZPJMESA-N	430.982	5.594	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	1195519	BRDPZJOAOCCKIF-GXDHUFHOSA-N	437.839	5.453	50	40	IKGB	
O=P(OCCCl)(OCCCl)[C@@H](Nc1cccc2ccccc12)c1ccccc1	1614133	ODGLDLVYCGYQJX-OAQYLSRUSA-N	438.291	6.654	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccco2)C3)cc1	9448557	YZDDHMRVSBDWOD-IQGLISFBSA-N	446.510	5.047	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1	408812542	MAUFARUERFZFRS-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408813094	FAVSWBMMJQAJAC-WYMPLXKRSA-N	439.339	5.830	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1ccccc1Cl	408882875	OMABLNITNBWJQF-WOJGMQOQSA-N	437.326	6.138	50	40	IKGB	
COc1ccccc1C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409252531	SYVQOLOMIJQJJQ-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1	2090061	ICIULNRLIOLFED-MTDXEUNCSA-N	439.515	5.463	50	40	IKGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	2158027	HSIVYHSRFNABBB-JWGURIENSA-N	436.540	6.412	50	40	IKGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	9693142	YPQFSBUSAIFVHS-LJQANCHMSA-N	439.968	5.267	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1	19634174	FQQOVBJBPBQKIZ-LTFOCYJHSA-N	441.531	5.281	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cc(C)ccc3C)cc2[N+](=O)[O-])cc1	32124888	NZBWNNYNMRAKPE-MOSHPQCFSA-N	443.528	6.217	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)[nH]c2cc1C	33740855	UMYFSOOKPTVONV-STZFKDTASA-N	436.515	5.570	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1	59535694	BVVQYNIMFFIQSX-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl	59535975	VJIPPTMIPUULCM-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(/N=N\c2ccccc2)ccc1O	101463661	NWZHFVLBGNIVFO-BCEHAOHISA-N	443.290	5.644	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1	107720617	RJIUDCRTOYQNDQ-BRJLIKDPSA-N	443.334	5.123	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1ccccc1Cl)[C@H](C)CC(C)(C)N2C(C)C	223596387	ZBMALQUZBPTOJV-LLMGEQIISA-N	442.003	5.678	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCC	408583982	ZCSNQRLUASEVLQ-MHWRWJLKSA-N	449.288	5.161	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1	408877395	VODVJWJLMVRAJM-WSDLNYQXSA-N	449.381	7.055	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1ccccc1F	408879888	HPVQVQAWJZMWCP-YBFXNURJSA-N	434.898	5.933	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(C(F)(F)F)c1	408963382	NTELMJBZYREBEK-MYKKPKGFSA-N	437.215	5.492	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCC	409015676	PKUBSVXHDIXFLL-QFEZKATASA-N	426.900	5.376	50	40	IKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	409247057	BOPKSOHYKASJAD-UVTDQMKNSA-N	440.377	5.518	50	40	IKGB	
CC1(c2ccccc2)COC(CBr)(c2ccc(Br)cc2)OC1	16578103	DAPJSKWJFSGWBF-UHFFFAOYSA-N	426.148	5.002	50	40	IKGB	
CCOc1ccc2ccccc2c1C=NNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	245241908	TYOBTHNCFDOUQV-FQEVSTJZSA-N	438.527	5.823	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	408583379	UEIRSTYWGMVFLU-NBVRZTHBSA-N	425.893	5.180	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408802161	XFMHCXBGLKDMAM-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)oc12	408972599	PMVPRDOONRMKCP-BHGWPJFGSA-N	429.259	5.772	50	40	IKGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409038205	ZUQXYYNZNBSHOB-VEILYXNESA-N	437.499	5.239	50	40	IKGB	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)Nc2ccc(Cl)cc2)C1	409117427	NMMOOUYRCIZIOS-GFCCVEGCSA-N	439.408	5.982	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccccc1	409138319	ZVXPWLMRFDWXQT-KKMLCIJBSA-N	448.588	5.604	50	40	IKGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1	409195419	IRIDECONTXJKOM-RXJBCPCZSA-N	438.314	5.330	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc2c(c1)OCO2	409361742	HWDYFYGMUIHNMG-NVMNQCDNSA-N	447.321	6.789	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	409363066	KVJHXXFUAYCWIE-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1Cl	1453282	AAYGQSBDLSTSQH-RIYZIHGNSA-N	431.706	6.761	50	40	IKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)Nc1ccc(Cl)cc1	33778163	IWXLQTVCUJIUGM-ATVHPVEESA-N	449.869	5.042	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1	58871657	MITJPDKOUUIYGN-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917778	CZHBHBOCIMFODP-WYXNLZHMSA-N	442.950	5.716	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@H]1[C@@H]2[C@@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1	100888648	IQANXENRXCCHTF-YBTGAFFXSA-N	432.745	5.084	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1	105059058	UNEOTLVJUSFWRQ-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc4ccccc34)cc21	208462669	BABKUJYWFDUGKO-MBTHVWNTSA-N	447.966	5.654	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1Cl	209279360	VVGFUIUWUJULBB-STZFKDTASA-N	446.934	6.172	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)c(C)c1	408802892	IWPGXDMEPJHIKO-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408897759	SYYYMZLIRZJNGQ-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408933628	BQAUNNJAMXMSNB-YVLHZVERSA-N	444.840	6.529	50	40	IKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3c(O)ccc4ccccc34)sc2c1Cl	408971014	FUBGXHOXNIEGML-VROXFSQNSA-N	445.327	5.839	50	40	IKGB	
O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](Br)CBr	575360320	BGIWPXOOINRLBO-QMMMGPOBSA-N	427.964	5.065	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	1453963	IKGWUCXRWKNBQY-LTGZKZEYSA-N	436.467	5.822	50	40	IKGB	
CC(C)c1ccc(Nc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)s2)cc1	3294486	NUANLNQKELBNMS-UHFFFAOYSA-N	448.577	5.339	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1C	13174288	WQWJQHPYWPTOQU-JOCHJYFZSA-N	433.533	5.538	50	40	IKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)COc3cccc(C)c3C)c2)cc1C	13945610	KDGGNPQBBRIULR-CULPDNDYSA-N	430.508	5.570	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(C#N)cc3)ccc3ccccc23)cc1	20764990	AULHDKRJKDYUSV-UXHLAJHPSA-N	449.510	5.453	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1	32116846	DLTUTSULOGLJAS-ATVHPVEESA-N	449.919	6.254	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	33732725	ISOUSZIIKYBEJG-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	33770562	JCVCCZZKKSOHGJ-ZMFRSBBQSA-N	439.298	6.179	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	59254515	YHXCHTOXYKXWQG-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
COc1ccccc1[P+](Cc1ccccc1)(c1ccccc1OC)c1ccccc1OC	98174831	PVBALOCGDBMTSL-UHFFFAOYSA-N	443.503	5.207	50	40	IKGB	
CS/C(=N/N=C(\C)c1ccccn1)SS/C(=N/N=C(/C)c1ccccn1)SC	104234561	IPXCKVUYVWXLKW-SWHMWBQQSA-N	448.668	5.444	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1ccc(C(=O)O)cc1	108051057	GVWDPYUDQBFYSX-UKWGHVSLSA-N	449.293	6.206	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4c(F)cccc4Cl)cc3)[nH]c2cc1C	408602510	CBSPWXNRGYMORN-LDADJPATSA-N	431.898	6.615	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)cc2)cc1	408765723	ZPDWXMGPBOVIRN-XQNSMLJCSA-N	448.478	5.613	50	40	IKGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1sc2cc(Cl)cc(Cl)c2c1Cl	408971074	HDXLKKBHSBAVHO-OPVMPGTRSA-N	449.746	6.484	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1	409187897	CPTKSADRFRPFCC-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
N#C/C(=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1cccc2ccccc12	409314519	RRHVDTYZJUZNTH-HKWRFOASSA-N	436.917	7.699	50	40	IKGB	
COc1cccc2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)cc(C)nc12	871154	MPYAAAHHWJKGOL-AUEPDCJTSA-N	434.348	5.101	50	40	IKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1	2341287	YRLPGUBALAMOMH-XMMPIXPASA-N	449.019	6.826	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	8722185	CULSBTKYMBCPGV-LSFURLLWSA-N	431.703	5.314	50	40	IKGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccc3ccccc23)nnc1-c1ccc(C)cc1	9272506	DALBTQHQRRRDNK-NLRVBDNBSA-N	443.576	5.059	50	40	IKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	67192519	KIMNWGBGWGQMGJ-YSURURNPSA-N	437.710	5.744	50	40	IKGB	
Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1Cl	107821863	SIFZWRPDPAAWIA-ZHZULCJRSA-N	427.891	6.624	50	40	IKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C	408569652	PEFAGNVMHLPYDR-SXGWCWSVSA-N	431.427	5.091	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc2ccccc12	408591270	SNDWREOYYHOINI-NDZAJKAJSA-N	437.587	6.238	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)ccc1Cl	408599202	PWPBFCUYOPEXSA-RVDMUPIBSA-N	435.892	5.920	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc2ccccc2c1	408760358	XFOQSUDKNPHDFU-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(Br)cc1	408813886	YTJVBKBKLBLDJM-STSOMYGVSA-N	440.385	5.459	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cc(C)cc(C)c1	408895779	LUONKLIJAFFEBI-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2Cl)c1	1439537	RRJLUQINJXQXDV-CPNJWEJPSA-N	446.890	5.251	50	40	IKGB	
COc1ccc(/C=C(C)/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1OC	3659598	ZKQSAXHSWNVCDR-GNWBNZKBSA-N	440.543	5.215	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NCc1ccccc1	9907386	UCWRVGPYXUDAIS-FYJGNVAPSA-N	447.332	5.251	50	40	IKGB	
CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1	9969768	HEHIQQMAFBDNIJ-WDMWBOBFSA-N	431.536	5.207	50	40	IKGB	
CC(C)OC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	20029469	RWRMEWKYKGLFFG-FQEVSTJZSA-N	444.984	5.930	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)[nH]c2c1	33658777	DHFLMMUJQQDVEC-UYRXBGFRSA-N	433.471	5.847	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	59433106	OEQGPSJBIQMTOQ-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
O=P1(N2CCCC2)N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1	100359395	BENYDMWMQITZLL-UHFFFAOYSA-N	438.339	5.905	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12	107861393	YCGYXONTYVLHMS-QRQIAZFYSA-N	441.530	7.645	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	108030259	UYCFMGJWXQFKER-DHRITJCHSA-N	449.850	5.434	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1	108971383	GHEGARCHNSJUCZ-WQRHYEAKSA-N	442.317	7.174	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC#N)CC[C@]4(C)[C@H]3CC[C@@]21C	118932774	PFFFOIVMEXOESX-BTGNDISDSA-N	427.742	8.611	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C	208525706	VIYRTYJKYMLIBA-RHANQZHGSA-N	441.575	5.699	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C	223167395	YKACTXCSXJASIU-MOSHPQCFSA-N	437.465	6.275	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21	223512921	KETYUWDGEPZCHT-NDENLUEZSA-N	433.983	6.604	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccco1	408722314	GZLDRZFIJXCEEG-AFUMVMLFSA-N	449.304	5.538	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1	408760921	AZEVXZZCPDGKQB-CPNJWEJPSA-N	446.890	5.504	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl	408761233	DDABXHOJWLPFEJ-ZROIWOOFSA-N	427.243	5.497	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408771385	GCIWNQMCOQGPTC-YBEGLDIGSA-N	434.839	5.290	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1Cl	408783743	QJKYFMUKLNVWQU-ODLFYWEKSA-N	429.347	5.732	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408874819	BEZGZJKVYCAGIF-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409047172	NHPSEVUKJJUZNG-HCMJPPQXSA-N	431.363	5.849	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4Cl)c3C)cc2c1	409186757	HNRGKSFBHWGIDN-WGARJPEWSA-N	435.911	5.656	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(Cl)c(Cl)c1	409187591	SFUFJTGWRZGIBZ-LSHDLFTRSA-N	431.304	5.378	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(Cc2cccc(F)c2)c2ccccc12	818713	CLDFJMWQRVLJBI-XMMPIXPASA-N	441.506	5.280	50	40	IKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1	8737978	BIEHELXTWMPXMQ-RIYZIHGNSA-N	435.268	6.656	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12	12285174	QGPXLUFMKJUIDT-CVKSISIWSA-N	447.332	5.457	50	40	IKGB	
CCCC[C@H](Br)C(=O)Nc1nc2ccc(OCCC(C)(C)OC)cc2s1	20133073	HEPBHOAVEFBMDP-AWEZNQCLSA-N	443.407	5.382	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC	28216802	SYHMEKOIYCYOTJ-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1	59445185	RONTWFNQSOHPSR-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1C#N	107692338	BZZXOPBWWLDDLC-UUYOSTAYSA-N	434.499	5.703	50	40	IKGB	
C[Si](C)(C)O[C@@]1(C(F)(F)F)CC[C@@H]2C[C@@H]1CC[C@@]2(O[Si](C)(C)C)C(F)(F)F	169806689	DZFQSRPDBPDJKO-XGUBFFRZSA-N	436.585	6.502	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc2[C@H](C)CC1(C)C	260562909	CRJRKESPBBKEBN-WBDLXYTISA-N	443.591	5.870	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1O[C@H](C)CC	408542112	HEERUFOQEGYLQF-FNHQQPGVSA-N	444.325	5.787	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(Cl)cc1Cl	408570334	UEMIQSVQSVFAKO-NVNXTCNLSA-N	425.294	6.481	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC	408583356	TYTKCMXSNAPGDV-KGENOOAVSA-N	428.488	5.094	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	408867455	KWPKOHKVOIEDPA-LDADJPATSA-N	441.745	6.783	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1cccc2ccccc12	408881951	PEAQTLLYOWCIHO-LTGZKZEYSA-N	448.478	5.613	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1-n1cccc1	408924605	NCWHFZQZDNYYCJ-TWKHWXDSSA-N	445.522	5.973	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408937735	OJKVEGHWSDVRIS-WQRHYEAKSA-N	440.396	5.969	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br	409221692	UWTRKBFRTMKPRH-LCJWNIEWSA-N	441.369	5.282	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409391676	KPTRYKCBMXMDDQ-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
CC(C)=CCC[C@](C)(Cl)[C@@H](Cl)[C@H](c1cc(Cl)sc1Cl)S(=O)(=O)O	584578357	FUWWQLYSQVIDNH-OBJOEFQTSA-N	440.241	6.335	50	40	IKGB	
COc1ccc(Cl)cc1C(=O)N/N=C(/C)c1ccc(NC(=O)C2CCCCC2)cc1	4156197	PWYUIQMIPJVZKW-YSMPRRRNSA-N	427.932	5.021	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCc2ccccc2C1	8721533	ZCGXDPKCWMGEKE-GZTJUZNOSA-N	433.851	5.000	50	40	IKGB	
Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)c2ccc(F)cc2)cc1	27988142	GDTJSQVCGNSRGN-UHFFFAOYSA-N	434.561	6.450	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1C1CCCCC1	33352563	WAPBIYZPIWUDCL-CFRMEGHHSA-N	442.357	5.883	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)nc2c1	108076553	WUQQPKUUDJKKFV-UNOMPAQXSA-N	445.364	6.414	50	40	IKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1O	109047600	BKTLEVLOBDFYAR-KPKJPENVSA-N	433.352	5.820	50	40	IKGB	
CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1CO	196769065	DWLGERDWFIXFKS-UHFFFAOYSA-N	431.668	7.149	50	40	IKGB	in-vitro
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(N2CCCC2)cc1	408677028	OOUFNQMCWODUAZ-WPWMEQJKSA-N	433.939	5.283	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1	408743868	HUELWWYJXJINSE-MTJSOVHGSA-N	446.934	6.090	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc([N+](=O)[O-])cc2)c1	408802808	HRGSFZQBXWUKCX-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)c1	408884406	XQEIHBKBVNAPOC-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)Cc3cccc4ccccc34)c3ccccc32)c1	408999902	SRKPMLYAEKIXHI-UXHLAJHPSA-N	431.539	5.844	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1cccc(F)c1	409063913	ASWQTEZWAAYXKT-HYARGMPZSA-N	442.490	5.687	50	40	IKGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(Br)cc1	409110791	YRJVFQSJKANEDN-SRZZPIQSSA-N	446.197	5.530	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cccc(F)c1	409392771	NOIVVGUJPDUGGL-ZDLGFXPLSA-N	426.260	6.370	50	40	IKGB	
Br[C@@H]1C=C(c2ccccc2)[C@H]2C[C@@H]1C(c1ccccc1)=C[C@@H]2Br	2570600	GZMSWWLYOVNSKV-NCYKPQTJSA-N	430.183	6.330	50	40	IKGB	
CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1	8783231	LEGFQNKPAFSAES-KZCHATAMSA-N	432.514	6.566	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C/C(=N/NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@]12C	13409293	ZREFGLLKWFJLDH-BTFMHFCOSA-N	445.648	5.259	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCC	15945253	QCIDSIFZVVXFGV-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1	16606611	JURQRJPIJWMUOI-GOSISDBHSA-N	434.710	5.367	50	40	IKGB	
CN(C)/C=N/C1=C(C#N)[C@@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O1	18178573	NVPBQVIPMUOXAZ-WMPMWDHYSA-N	432.321	5.452	50	40	IKGB	
CCCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	20189686	UFBUQVPCRVJZAJ-QFIPXVFZSA-N	437.996	6.208	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC	28216801	FPXTYIIBNCFOKM-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1	33743893	PLHPPMFHPTVCLL-KQWNVCNZSA-N	429.523	6.976	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	100706516	HMZGHCFZCSCGAX-JOCHJYFZSA-N	433.533	5.483	50	40	IKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	408774759	XWALYDRJKGJGHM-LQKURTRISA-N	428.511	5.405	50	40	IKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408833657	UINPGVDSIADUKJ-LTGZKZEYSA-N	446.934	6.253	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccccc1Cl	408854124	YEUCWBJYQWJYLZ-OWBHPGMISA-N	426.701	5.439	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cc(C)cc(C)c1	408897875	JEQPUCPKALYLRQ-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1	408912188	PWMZEEAEIIULMQ-WSDLNYQXSA-N	445.338	5.274	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)oc12	408970482	ACLCHOGJFVNNCZ-VULFUBBASA-N	434.879	5.438	50	40	IKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1	1905967	MTBZHHDUTDVMDH-LDADJPATSA-N	435.980	6.230	50	40	IKGB	
CN(C)c1ccc(/C=C(\C#N)c2nc(CSc3nc4ccccc4s3)cs2)cc1	9090532	HOIQOVTWOCWPGM-LFIBNONCSA-N	434.615	6.175	50	40	IKGB	
N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2cccc(Br)c2)cs1	9311121	LGZFMLXTOOHZME-GHRIWEEISA-N	432.346	6.702	50	40	IKGB	
Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4c[nH]c5ccccc45)[nH]n3)cc2)cc1	9374837	ZVSMGINEHJBHCI-MUFRIFMGSA-N	449.514	5.209	50	40	IKGB	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1	13774252	KGAMEQIZFLYMIL-YTHZFBKKSA-N	428.300	6.645	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3s2)c1C	34868596	GZEXTPQIOYMEGN-QGOAFFKASA-N	445.569	6.147	50	40	IKGB	
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(COc3ccc([N+](=O)[O-])c(C)c3)o2)CC1	36611227	SPJBMPBZPKZUBW-UHFFFAOYSA-N	441.528	5.787	50	40	IKGB	
CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4cccc5ccccc45)cc3C2)cc1	58872039	FXOHSJGKEVRHMS-STBIYBPSSA-N	435.527	5.523	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1	207056503	CUPSYWQGNWEGMS-NDENLUEZSA-N	443.459	5.037	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc(F)c1	408569137	ZATZEMMZCARSHB-ZDLGFXPLSA-N	431.442	5.883	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C	408588299	IWZBBSIXWJWDOR-AFUMVMLFSA-N	438.369	5.166	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccccc1Cl	408871421	YCQMNFKISDKXHZ-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cc(C)cc(C)c2)cc1	408887452	ONEOBSZXCWMIJZ-HZHRSRAPSA-N	440.499	5.215	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C	408911637	AODPEHHFFMKHHJ-XKZIYDEJSA-N	427.504	5.263	50	40	IKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1	409186665	GFXNUMYVYSPLBF-CVKSISIWSA-N	449.963	6.256	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1	409368271	QRXZVASOLSTMKT-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)[nH]c2c1	409389871	AVGSEJDZNLUXHG-WQRHYEAKSA-N	445.906	5.877	50	40	IKGB	
Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	2743705	NTRIYGAYFOYEMA-DEOSSOPVSA-N	448.950	5.659	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	4106476	OMQVEKFGLDULNM-LDADJPATSA-N	439.437	5.667	50	40	IKGB	
Cc1ccc(N2C(=O)c3ccccc3[C@@]2(c2ccccc2)N(CCCl)CCCl)cc1	4758824	XBWOANJISDFRFM-VWLOTQADSA-N	439.386	5.636	50	40	IKGB	
Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O3	8451278	XUVVZBRDLHEJRR-OAHLLOKOSA-N	430.302	5.033	50	40	IKGB	
COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(F)cc3)cs1)oc1ccccc12	9065370	JPTMDTRQKRPAOL-DTQAZKPQSA-N	441.487	6.834	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c2C)c1	28216054	NADCDOJUJRGQDC-LGJNPRDNSA-N	440.012	5.748	50	40	IKGB	
CC(C)CCOc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1	33706820	REHKIKXOYGPLQE-CQUHBBLWSA-N	433.577	6.011	50	40	IKGB	
CCOc1cc(C(=O)N/N=C2/CCCC[C@H]2C2CCCCC2)cc(OCC)c1OCC	103454279	AKKLLGYQBGSNSA-DFOVGDGWSA-N	430.589	5.739	50	40	IKGB	
CCCCCCCCCCCCS(=O)(=O)C[C@@H](Br)C(=O)c1ccco1	104194866	IIRSREASMCVHFG-QGZVFWFLSA-N	435.424	5.562	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C	208310347	UOHSOORBVYDRMQ-DISPHTKASA-N	442.390	6.651	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1	408809311	GVTLCZRTZDBFFW-HZHRSRAPSA-N	440.543	6.054	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1	1095565	MWPUKABJZNUTBR-CPNJWEJPSA-N	441.918	5.897	50	40	IKGB	
COc1ccc(C(=O)N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1	2082641	RETJYVGCDXZNCQ-WNAAXNPUSA-N	435.936	5.114	50	40	IKGB	
O=C(N/N=C/c1cnc(Cl)s1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	8762932	XPUUYXGGSIYKSS-NUGSKGIGSA-N	440.739	5.446	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(-c3ccccc3)nn(-c3ccccc3)c2Cl)cc1OC	8782177	KTNVNWUQEMWTCH-HMMYKYKNSA-N	441.918	6.274	50	40	IKGB	
Cc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1	32576879	VMKDXLXXZSSNLE-WGARJPEWSA-N	448.979	5.289	50	40	IKGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	59447298	KGOMXPUPYGAPSP-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C1c2ccccc2Oc2ccccc21	71335802	RZTYJNLDJMBKKA-CVKSISIWSA-N	439.427	5.243	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc([N+](=O)[O-])c1	107754494	FQMBAGXGPQBSRR-JAIQZWGSSA-N	445.431	5.545	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1	408579210	DSJKTQNAQAWCRO-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c(-c3ccccc3)[nH]c12	408846016	XDXSGZJQFZHMRK-SAPNQHFASA-N	427.891	6.043	50	40	IKGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1	408872405	MSEDHQMHLHALOZ-RTMGKINMSA-N	431.561	5.101	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccccc2F)c1	408889081	DLMFQDWHHSRNLE-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cc(C)cc(C)c1	408891627	UDOBNDGWKQVOSB-BUVRLJJBSA-N	440.543	5.999	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1	408981926	DWWRVBLGQMGXFG-MTJSOVHGSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1C	409004514	AJKNLADCKSAEIA-PPDIBHTLSA-N	443.378	5.580	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCC	409071996	REZDOAHVNHECSE-LDADJPATSA-N	444.453	5.777	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4c(C)cccc4CC)c3C)cc2c1	409186341	ARIWDBUYUNGQAG-NTFVMDSBSA-N	443.547	5.874	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccccc1I	859773	FHOVUJYDZRSDNJ-NTCAYCPXSA-N	440.240	5.097	50	40	IKGB	
Cc1ccc(N(C)N(C)C(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	2296441	ZLRPIBVBYQKMMJ-UHFFFAOYSA-N	429.347	5.048	50	40	IKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cccs1	6474064	QHFVOFMNCRURCJ-ZTKZIYFRSA-N	449.579	6.577	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057449	SOPXBMBDWBILPY-SDNWHVSQSA-N	438.237	5.163	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(O)cc1	12498848	UJVDBJMNIDWYNX-MFKUBSTISA-N	433.558	5.448	50	40	IKGB	
Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)c1	12859617	AOKLXPULPZATQD-KCWSSEAOSA-N	430.508	5.570	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	16526275	XAHNNZXJWSGMIQ-MFKUBSTISA-N	426.501	5.153	50	40	IKGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1c(Cl)cc(Cl)cc1Cl	16693858	VTUMSJAUTXBBGJ-YBEGLDIGSA-N	446.721	5.352	50	40	IKGB	
CC(C)(C)C(=O)Oc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(O)cc2)cc1	39013357	PIGIBJSRCPAYEL-OCOZRVBESA-N	434.963	6.932	50	40	IKGB	in-vitro
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	59336008	NOGUGGZMYJLTBG-ATVHPVEESA-N	441.289	6.257	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)c(C)n1-c1ccc(Cl)cc1	103017863	LSTBPIWFIDANBA-RGEXLXHISA-N	426.907	5.841	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	408538181	JZUWOSLYWOOTMN-CYVLTUHYSA-N	445.390	7.278	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Br)cc1	408580319	OHUUHYJYCUINII-CJLVFECKSA-N	440.340	7.245	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1	408580397	PFGSGVALPLQYNJ-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1Cl	408748954	JNGKHIPLJJXACG-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1cccc(F)c1	408869292	QPKUKVXYILXKPL-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1	408983918	OIDJTSDSXDASSU-QNGOZBTKSA-N	445.950	6.166	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	409209904	JRDIOXGSEWTMBF-OPEKNORGSA-N	438.858	5.861	50	40	IKGB	
Cc1c(/C=N/NC(=O)CNC2CCCCC2)c2ccccc2n1Cc1ccccc1Cl	409386835	NOPAPNAFNRXXOB-RWPZCVJISA-N	436.987	5.024	50	40	IKGB	
Cc1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1Cl	1741293	FJSHGRWGBWZOFK-CABCVRRESA-N	431.555	5.487	50	40	IKGB	
N#CC1=C(Oc2ccccc2)NC(c2ccc(Br)cc2)=C[C@H]1c1ccccc1	2271749	MUPOEZSCKCIZMY-NRFANRHFSA-N	429.317	5.991	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1Cl	3140678	VWAZMOPQVAQZSR-YSURURNPSA-N	437.710	5.744	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	3162847	MBZZKJXURLZOJM-RPPGKUMJSA-N	445.346	6.214	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	28216222	DOSXITJEKBYLGQ-WYMPLXKRSA-N	432.376	5.643	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c1	33737725	GEWSLBHJLCXDES-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1Br	58625669	LYSZPVFZWOGHIF-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223175787	FDZOQOSASIEXBT-HMAPJEAMSA-N	427.504	5.043	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3C)o2)cc1	252509808	YWDIZAOQNQVWKL-GHRIWEEISA-N	435.321	6.126	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc(C)c1	408570470	VOFCYHLKTFOVEH-NVMNQCDNSA-N	447.897	6.316	50	40	IKGB	
O=S(=O)(N[C@@H](c1ccccc1)[C@H](Cl)c1ccccc1)c1ccc(Cl)cc1Cl	408731787	PUBOVASNAYAUKJ-UXHICEINSA-N	440.779	5.993	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Br)c(C)n(-c2ccccc2)c1C	408851298	AZBNRARQHQTEQN-AQTBWJFISA-N	434.337	5.711	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1	409199821	FANMYFHSYRGZJH-JAIQZWGSSA-N	434.879	6.208	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3cc(Br)cs3)C3=C2CCCC3=O)cc1	713271	DVPZPKXPPLELMX-LJQANCHMSA-N	440.366	5.124	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C)cc1	9259097	AKAPGNGFHBMKIR-JVWAILMASA-N	428.488	5.483	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1	9350409	GXRLUROPHAPSIC-GOSISDBHSA-N	441.318	5.390	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(-c2ccccc2)cc1	13688630	PNUWKVQLNRAVAZ-QXPFVDMISA-N	441.534	6.723	50	40	IKGB	
CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	14922182	YFGVVTDHUSXAJG-VOHAGXJVSA-N	446.547	5.966	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(C#N)cc3)c3ccccc23)cc1	20765071	YNCAIWHPGVJGCH-STBIYBPSSA-N	436.515	5.032	50	40	IKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	28217329	WDKQSBZOYCGCMX-BRJLIKDPSA-N	446.403	5.952	50	40	IKGB	
CCCCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(C)=O)cc2)cc1	104891608	LAHAATKHXOSOLL-LKUDQCMESA-N	447.575	6.921	50	40	IKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1	107758252	BSLVEQXPQPGKMG-MZJWZYIUSA-N	444.922	5.065	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1	408786734	VSOFFSYPIDXISG-VYYCAZPPSA-N	428.410	5.057	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408795337	MCHZPIHXMKLUJV-HZHRSRAPSA-N	449.466	5.873	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408797959	UPJOKYFGPBXXED-RCCKNPSSSA-N	427.460	5.282	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1	408882266	OEVQLLYNWLQETQ-WOJGMQOQSA-N	434.883	5.510	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1	408991012	YQHYCPNHGMQGJQ-MOSHPQCFSA-N	446.890	5.471	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)s1	1436421	OOWZMJIXJWJKPJ-OAQYLSRUSA-N	437.996	6.004	50	40	IKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Cl)c1	33452579	OOKQVXCLQJXTLZ-OCKHKDLRSA-N	439.298	6.853	50	40	IKGB	
FC(F)(F)c1cccc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)c1	102136913	BOSSDMUTXJFXIU-UHFFFAOYSA-N	438.393	6.006	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1-n1cccc1)[C@H](C)CC(C)(C)N2C(C)C	223593319	SFTVBTROJQJXBH-LJVLJBDNSA-N	442.607	6.050	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl	408540339	QIXVIPLZIAFPHN-CFRMEGHHSA-N	427.759	6.370	50	40	IKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)cc1	408583210	SKOFPVACOQLBCV-OQLLNIDSSA-N	449.142	5.849	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1	408784895	WHKZGDQFLFTHQV-HAHDFKILSA-N	427.548	5.989	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2)cc1	408800464	MNDWCBUZQIECBU-RCCKNPSSSA-N	428.488	5.219	50	40	IKGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1	408845133	OTXLHMLSOHXMSW-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1	408881670	JXNQEDUILYNUGG-OQKWZONESA-N	436.486	6.124	50	40	IKGB	
N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1cccc(Cl)c1	408883066	QIRPQEPSRQCSSS-RQZCQDPDSA-N	444.834	5.458	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cc1	408892840	JWFBZFDPRHXKGD-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1	409071145	FCRKYKRFLOUTHU-FOWTUZBSSA-N	435.892	5.048	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)c(C)c1	409374903	BHBZKNLFLRZQQG-DEDYPNTBSA-N	443.478	5.006	50	40	IKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccccc2)cs1	1830931	JWFBNCVAAWIKQW-XDJHFCHBSA-N	441.943	6.671	50	40	IKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21	34828871	LNYLGKASPUJDKL-CLVVTTMOSA-N	439.437	5.162	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1O[C@H](C)CC	34851507	SGXAXQSPWLYGQX-KDVQLTRESA-N	445.313	5.997	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)cc1C	104145830	RQRTUHWILLYRII-QFIPXVFZSA-N	449.601	6.006	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1C	223597902	FNTBZGHBOHJNSB-DHJMFLCTSA-N	429.608	6.658	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(CC)cc3)o2)cc1	252510411	ZJPWVJOEXNLQEW-OQKWZONESA-N	442.515	6.012	50	40	IKGB	
C[C@@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]2[C@H](O)C1	255987661	MJLUKJALEPACMG-AIQOCFLSSA-N	434.693	5.628	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1C	408598676	IESILFMUTHDHEM-YBFXNURJSA-N	429.505	5.844	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1C	408789766	LCAUBHOOWDLSDY-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2cc(C)cc(C)c2)ccc2ccccc12	408870228	UAYSRMYSKMMCQP-ZXVVBBHZSA-N	444.578	7.156	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408879964	HZLPGROLYOACGW-TWOGVEJSSA-N	441.369	5.305	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br	409009658	BCQJILGEUWSMDE-BUVRLJJBSA-N	425.326	5.545	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C	409023242	ZFXPIWWZMQVSPQ-ZRGSRPPYSA-N	440.330	6.219	50	40	IKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)[nH]c4ccc(C)cc34)c3ccccc3n2)cc1	409038851	PRAIDXOAXHSDLA-MWLSYYOVSA-N	448.526	5.772	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	409271817	NKZAMJWKSJFEIO-XDHOZWIPSA-N	447.878	5.638	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c3ccccc32)cc1	409364711	OVVJEGVSALGMJN-CCVNUDIWSA-N	430.939	5.214	50	40	IKGB	
Cc1ccc([C@@H](Br)[C@@H](Br)COc2ccc([N+](=O)[O-])cc2)cc1	825930	XPWVDMWHBKPRFC-JKSUJKDBSA-N	429.108	5.182	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	6177768	IDPKKDKQIMSTGB-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Cl)c3)c2C)cc1	6279978	DRXTXUVMGDRELO-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(SC#N)c1C	8879720	CXJJDLPSUFQNAB-UHFFFAOYSA-N	438.530	5.851	50	40	IKGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c1	12859624	SXGRORBDGIOKGI-ZGQMNJRFSA-N	436.899	5.607	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F	35109091	ZWMXVQVJCBTXLG-NVMNQCDNSA-N	438.842	6.039	50	40	IKGB	
CC[C@H](C)CCCNc1nnc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)s1	103082075	HEPOJPZNRFRSRN-SSICXYGWSA-N	445.639	5.390	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1	223549569	PZYIYOZWYWTORV-BWCLHNGZSA-N	431.580	6.132	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408788116	IKWZAGJIHPJITJ-NTUHNPAUSA-N	437.710	5.766	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408904685	NBCKKKOARHUNMU-JJFYIABZSA-N	441.852	5.503	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC	409215058	ZLZUOXZAAAZVFP-SSDVNMTOSA-N	427.353	5.033	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1	409238955	XMYNTZHFXXQTFQ-VYYCAZPPSA-N	435.886	5.011	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)ccc1OC	409309253	DKYUEVCMCPABHY-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1c(Cl)cccc1Cl	985624	WCJCQVYZPXOKNP-SFHVURJKSA-N	433.298	5.755	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1	3188271	RNUMPXOIXXTYNS-SFQUDFHCSA-N	438.300	5.541	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(C)s1	17095560	UUTBLEQSDKXTKC-MTDXEUNCSA-N	427.573	6.549	50	40	IKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	58885745	QLBKUSJSTXHLQK-UHFFFAOYSA-N	445.913	6.074	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl	59224821	OOYZLROZLFHUAK-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc2ccccc2c1	59334652	ZKZMBBIFPZXHSO-MTJSOVHGSA-N	434.923	5.466	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1C	408585943	KKLOWJMUYDHFGC-NVMNQCDNSA-N	426.303	6.682	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408737139	LAIZNTIJKTXOLM-JVWAILMASA-N	436.939	5.319	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c([N+](=O)[O-])c1	408889900	KQCFYCCEXLRSTD-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc(-c2cccs2)cs1	3207698	LXZTWHSABRPUDJ-UYRXBGFRSA-N	443.553	5.996	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)c(C(C)C)c1	3216162	PDAOPIILWHUYCP-WKULSOCRSA-N	444.962	6.607	50	40	IKGB	
CC[C@@H](C(=O)N/N=C(/C)c1cccc(NC(=O)/C=C/c2ccccc2)c1)c1ccccc1	5954084	HHPJAGBCUPQYMV-ZEAGHKOISA-N	425.532	5.373	50	40	IKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1	9183431	ZCJWWXPBCALPMV-NTEUORMPSA-N	446.167	6.399	50	40	IKGB	
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1	9613481	LFCSNGVARDKZSN-UHFFFAOYSA-N	447.626	5.261	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1	13174363	VUNXUZMUXXVFQV-DEOSSOPVSA-N	443.572	5.945	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccc2c(c1)OCO2	32116955	GYJNSEZUPBIFDY-MWYAZZEHSA-N	436.773	5.111	50	40	IKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	40476977	RYTORYSDDGHABH-NBVRZTHBSA-N	449.532	5.371	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1nc2ccccc2s1	95100355	SQVNEFGJRGMRLD-QGOAFFKASA-N	445.931	6.074	50	40	IKGB	
Cc1ccc(N/C(SCc2ccccc2Cl)=C(\C#N)c2nc3ccccc3s2)cc1	105786258	GSPIGELKZLPXRU-NMWGTECJSA-N	448.016	7.496	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	108974410	FCDRVQVHOPUEDY-STBIYBPSSA-N	433.511	5.615	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1OC	408599246	QTXFLJFUAYIIRF-MDWZMJQESA-N	430.327	5.389	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1	408794166	HTKXSSBBWLMQBD-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	408795911	NNWHLPCXUIFBTL-LZYBPNLTSA-N	447.318	5.098	50	40	IKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408823555	DYPRVGQSIJKEAW-SFQUDFHCSA-N	448.906	5.621	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1ccc(Br)cc1	408849492	WBCNCRLVVBNKIS-PCLIKHOPSA-N	432.321	5.086	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1Cc1ccccc1F	408882591	RLUGVXNNWRIRTB-HZHRSRAPSA-N	428.507	5.923	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408885897	GNSZJRINLVYEDH-UKTHLTGXSA-N	431.706	6.761	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O	408887288	PGILFPGXXRWDDU-LDADJPATSA-N	432.863	5.163	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1C	408960684	NTLIXMPEPOHFBH-JFLMPSFJSA-N	429.520	5.484	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2c(F)cccc2Cl)c1)C(=O)NCc1cccs1	409206166	HZUIZAYMUMVXBQ-MHWRWJLKSA-N	426.900	5.343	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1	33319760	IIQKLPDFMJBCAN-GDNBJRDFSA-N	437.839	5.453	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	34759007	OUAOGESCMVQMEC-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
N#CC(C#N)=C1C=C(NC2CCCCC2)C=C2[C@H]1N[C@@]13CCCC[C@@H]1CC1=C(CCCC1)N23	100672631	WUJKFZSNKZMUFF-AOLGGSBGSA-N	441.623	5.426	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc([N+](=O)[O-])c1	408568453	URSQTOCTABCIMB-MXAYSNPKSA-N	432.867	5.015	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-]	408599116	OVEVNCKDZDDCMW-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1	408765375	VRCDLBPKCZSTRL-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1	408788935	NEIXGPCIQFKTPG-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OC(C)C	409034942	OMKHIUANCVAMPA-OGLMXYFKSA-N	439.515	5.462	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccc(C)cc3)o2)cc1	409110943	AISIWEGAVSBZLI-SCELWYEFSA-N	436.533	5.063	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12	409210934	HOLFVXHWPLFARU-HAHDFKILSA-N	436.467	6.400	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409251221	OYCIKUTYQFUBSY-DDLUMYACSA-N	438.358	6.185	50	40	IKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)c1ccc(I)cc1	409374263	ZJTBFTZYBZJEIR-RGEXLXHISA-N	431.276	6.662	50	40	IKGB	
CC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(SCc2ccccc2)N1	2729555	PNHADVCQSKMOCM-XMMPIXPASA-N	437.568	5.955	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)s3)c3ccccc3n2)cc1	8454639	CPVDQMOLUJZNIQ-WPWMEQJKSA-N	429.545	5.824	50	40	IKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1	9693611	BISUHLHCUZVCAH-HNNXBMFYSA-N	446.359	5.221	50	40	IKGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br	15018689	SBZWTWKHVOLBAF-AFUMVMLFSA-N	449.304	5.677	50	40	IKGB	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2c3ccccc3cc3ccccc23)cc1	16311708	PYISURVWNUVYLA-MHZLTWQESA-N	442.522	6.014	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OC	108124816	UDQUIWCYNZVWFW-HFTWOUSFSA-N	438.612	6.541	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21	208222242	JVKHHQRNCFLXAH-PKIWBCANSA-N	426.564	5.156	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1	216039786	XQGKSMROQZKXOJ-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
COc1cc(N2N=C(C)/C(=C/Nc3cc(C)c(SC#N)cc3C)C2=O)ccc1Cl	408532890	RLHYGSBEIHYZPQ-YBEGLDIGSA-N	426.929	5.257	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)c2C)cc1	408745714	VAMOJKZAOPPJAC-MOHJPFBDSA-N	441.575	6.381	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1	408879386	DCLIYHKCNWOQSE-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1-n1cccc1	408880423	HSTYJNYZMPHKEL-ZVHZXABRSA-N	434.839	5.063	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408897421	WVPVMLLYCPAWQY-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1C(C)C	409041700	JGVXSWGUPJEAJM-UXHLAJHPSA-N	446.554	6.510	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1	409047147	MYZVQYQASFBDEI-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(N)O2	875356	WFUIZOINWVQUKB-AREMUKBSSA-N	428.495	5.705	50	40	IKGB	
O=C(NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Nc1ccc(F)cc1	3205870	GYPFCZBWLWLAKR-UHFFFAOYSA-N	435.395	5.757	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1	9067415	VVRRXZQNLBLALW-BOPFTXTBSA-N	447.472	5.046	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)c(C)c1	11853121	MPTMCZWUGDYCGL-GXDHUFHOSA-N	428.330	6.305	50	40	IKGB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCC)cc1	15229533	OYVZOXCCFHVBQS-RELWKKBWSA-N	442.563	5.541	50	40	IKGB	
N#C/C(=C/C(Br)=C/c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	32559940	NYNCXMRJNHDICX-ZTLHOUMVSA-N	438.306	6.061	50	40	IKGB	
CC(C)CN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21	34806973	OVUVGWYFFIEZII-NJNXFGOHSA-N	437.499	5.397	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)NC1CCCCC1	40006601	UPMZPUOCSCYRNI-WOJGMQOQSA-N	429.347	5.928	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1	59116891	UCDHDZKYPPQZJC-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1	59678279	AMQREBRWAOQOMI-SSDVNMTOSA-N	449.757	5.919	50	40	IKGB	
N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	96751843	GGWPTDMROSHJBJ-XFXZXTDPSA-N	445.273	5.596	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc1	100879213	MHBJPWYQBPVCPQ-DYTRJAOYSA-N	434.536	5.758	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	208250738	GZBMHMABQRCWMZ-NDUKVXLSSA-N	434.367	5.245	50	40	IKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCC	408691798	QKJWXFXKNWZJLH-SXGWCWSVSA-N	426.314	5.203	50	40	IKGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408747113	ZQZFOHGZCRAXKJ-ODLFYWEKSA-N	433.895	5.300	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408773030	OVTLEGPCWGYYNH-JMIUGGIZSA-N	439.342	6.157	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)cc1	408794737	BMSXHUDCEJSBGW-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(C)C	408802304	YDXIHJHYQZUCAE-MHWRWJLKSA-N	429.314	5.181	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1	408871786	ZPJSYSLICLMIDM-WOJGMQOQSA-N	435.842	5.524	50	40	IKGB	
Cc1ccc2c(c1)N(CCN(CCCl)CCCl)c1c(ccc3ccccc13)S2	1697169	GWENNFSQSNPMEQ-UHFFFAOYSA-N	431.432	6.531	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	10059571	YHJGJMITPRMPCR-ZKQTYJKJSA-N	446.547	5.317	50	40	IKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1	34799553	BAENBTCOSDDKDN-WJDWOHSUSA-N	441.472	5.116	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	59116945	VERYJKRGIJRPGE-ZROIWOOFSA-N	449.732	5.446	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(F)c1	59117263	DXMBHWMBJXYALY-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c1C	102524977	KQFNUGKYKYWIGR-JOCHJYFZSA-N	433.533	5.538	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1F	108278724	LOGNOOYKLYVCHC-MFOYZWKCSA-N	440.272	5.968	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	209495316	DKYBWCSOBXJWGD-FYJGNVAPSA-N	446.934	6.129	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	408539132	TZTFHBMAYBRHJJ-CAPFRKAQSA-N	444.497	6.990	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)cc1	408852743	VZBDQSKBRFNFSD-RGEXLXHISA-N	427.529	5.486	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)cc2)c(C)c1	408905834	FJYSFOZRVZNQOG-MTDXEUNCSA-N	430.548	5.364	50	40	IKGB	
COc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br	409049502	XFQVPHSDEARGSJ-IZZDOVSWSA-N	433.103	5.161	50	40	IKGB	
Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	409115782	KMVXAWGLWDETTG-QGOAFFKASA-N	448.906	6.019	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409116790	MNOHPWKVJNNZAB-FSJBWODESA-N	425.381	5.556	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	940840	YCXYEPRIWQWFEC-LDADJPATSA-N	432.501	5.152	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	1946122	JLXLFLUYHRHKFZ-ZVHZXABRSA-N	425.326	5.771	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC	33887455	OJQIKBICBGSKMW-SXGWCWSVSA-N	429.270	5.385	50	40	IKGB	
N#CC(=C\c1ccc(Sc2ccc(Cl)cc2)o1)/C(O)=N/c1nc2ccccc2s1	41120760	HCOITAMHXNUNKA-ACCUITESSA-N	437.933	6.889	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1	408852774	NFJLVPZJMQHLFQ-UITAMQMPSA-N	444.510	5.312	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)c(C)c1	408869542	SASOJKRSBIOXFB-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(C(F)(F)F)c1	408965169	UGVIOMZIOSLVJF-OKCVXOCRSA-N	448.444	6.202	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	409113835	JBQLTVKJRCCMNY-FMCGGJTJSA-N	446.315	5.817	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1c(F)cccc1Cl	409204513	HPOCYAQHTILRAX-DHRITJCHSA-N	446.931	5.211	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCCCc1ccccc1	409224601	IJVRTTUISBVPLK-LGMDPLHJSA-N	435.867	5.164	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl	1439527	SLKYOPPMTHZHIF-XMHGGMMESA-N	446.890	5.251	50	40	IKGB	
C/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)C2CCCCC2)cc1	4155216	JTKDVACJLHQNJA-CEUNXORHSA-N	427.548	5.442	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	9324434	AHGMYJIKYGBAIO-LPYMAVHISA-N	444.462	6.114	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1	58601708	WALAAHOFBWLYCV-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408725077	GVEUZDQNFUTSGG-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1	408746015	WNHAZMNAGGPEKK-UYRXBGFRSA-N	434.337	5.711	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1	408784993	FAFHZOKYYWIBJL-BRJLIKDPSA-N	449.790	6.703	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)c1C	408793911	HHBUVKWUTMKYLA-YZSQISJMSA-N	432.523	6.581	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)c1	408874454	BUUNPBAORSRGDA-DEDYPNTBSA-N	449.323	6.033	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1	408901055	ZRJNZQOIPZERMW-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2cccc3cccnc23)o1)C(=O)Nc1cccc(Cl)c1	408990336	KRLFMEXYXLFMQI-FOWTUZBSSA-N	431.904	6.178	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccccc1	409246341	BHXDMFBNCOJIFM-RAGBYUADSA-N	448.526	5.064	50	40	IKGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	954283	KPQKUPAVMXNQTQ-VGOFMYFVSA-N	432.307	5.725	50	40	IKGB	
COc1cc(C(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)cc(OC)c1OC	3255363	PVSAFZCHYVPSNI-MZJWZYIUSA-N	448.906	5.436	50	40	IKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C	12859090	KIBDZBGEAWOYTA-OPEKNORGSA-N	431.319	5.708	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1	15223220	AIZMZEHWHWNRJR-UYRXBGFRSA-N	448.906	5.569	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccccc1Cl	28216721	CGVHLWOHWFXAPI-VBYICHLGSA-N	425.985	5.520	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)c1	33497547	GMOLMSWADADWFF-HAKPAVFJSA-N	428.916	5.470	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	59245264	DSIMWQRHLMGHAB-HMMYKYKNSA-N	432.907	5.863	50	40	IKGB	
N#C/C(C(=O)c1ccccc1/N=C(\O)C(F)(F)F)=C1\NC(c2ccc(Cl)cc2)=CS1	97840666	JUDGJIUYPLJKQU-JXAWBTAJSA-N	449.841	5.743	50	40	IKGB	
CCCCCCCCC(O)(CCCCCCCC)C(=O)NN(C(C)=O)c1ccccc1	98003601	JTGIQVYGJCPRNX-UHFFFAOYSA-N	432.649	6.303	50	40	IKGB	
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@]12CC[C@@H](C[C@@H]1Br)C2	101779127	IIAWWHLXTZIUND-JTBRQZTESA-N	431.355	5.126	50	40	IKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1	408539165	ULDUSKOHXYLIDM-IMRQLAEWSA-N	449.620	6.622	50	40	IKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1cccc(Cl)c1	408684283	OPPHGCRBCDRGNB-PZJWPPBQSA-N	443.724	5.885	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCC	408781200	AOWIUKHULJYVDB-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1	408860690	BZUROPGHLOLNPE-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408878649	CNNFNTLFLIFPEC-JVWAILMASA-N	436.427	5.176	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(O)cc1	408891107	LNNVGRXOAQRORP-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	409050344	UVNDDHMBPWXJQH-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nc2ccccc21	945991	BNLSCMBLMHIAII-PCLIKHOPSA-N	430.533	5.091	50	40	IKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	5920847	GOFNUTBWZCHQNY-KPKJPENVSA-N	447.130	5.551	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1	12590884	MSHVOTUFGWWVJQ-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
O=C(O)c1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	13337787	LWYDSSKNUNHMBW-VULFUBBASA-N	429.863	5.017	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C	15229529	DIOXFELBMDESTI-JWGURIENSA-N	448.526	5.710	50	40	IKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccccc1	33401662	HREQZDBZTRVBTR-CPNJWEJPSA-N	430.554	6.541	50	40	IKGB	
BrCc1ccc(CBr)c2c1C1c3ccccc3C2c2ccccc21	100520785	AADOVMHTGAFDPU-UHFFFAOYSA-N	440.178	6.464	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1cccc(Cl)c1	108202750	PSWPMOHLSQPMKO-YVLHZVERSA-N	441.289	6.214	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208260983	ZDQJGKDGZBFNRV-WUQDTEKSSA-N	443.982	6.071	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(F)cc1	408544546	WZFADFRUTPYAJY-GRSHGNNSSA-N	437.854	5.829	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1	408583170	SDCNOEAXXCOUTK-GIJQJNRQSA-N	428.290	6.784	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1	408586425	BXHXTXFZTOFQTQ-ZMOGYAJESA-N	444.760	5.203	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc(C)cc2)c1	408805905	IFAGEOCKKITDFT-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408815627	SVBOAOXJQBBIFV-GXDHUFHOSA-N	427.287	6.116	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)cc1	408816834	VIDWHWTYNZVRJG-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1c(C)ccc2ccccc12	408878788	BRIQOPJVXBKZCC-XIEYBQDHSA-N	446.550	6.835	50	40	IKGB	
CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F	409369019	XUEGVDWVAPKJQE-NRFANRHFSA-N	439.556	5.146	50	40	IKGB	
CCCCOP(Br)(Oc1ccccc1)(c1ccccc1)c1ccccc1	585656249	NYTWRJHLRKXKRG-UHFFFAOYSA-N	431.310	6.226	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1COc1ccccc1Cl	1070294	DYVJMPPDNGYFLK-QFIPXVFZSA-N	434.923	5.370	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	1195438	QEHKTEZORWQGQR-RCCKNPSSSA-N	428.536	5.105	50	40	IKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)cc1	3254466	LGQWRYVJMLWQRQ-RWPZCVJISA-N	442.437	5.447	50	40	IKGB	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(N(CC)Cc2ccccc2)cc1	3271483	XOEPTQZVXTVVHS-LGUFXXKBSA-N	437.587	6.384	50	40	IKGB	
CCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/CCCl	13475699	ZJQVBJKGSFPVGF-SHZUZTDESA-N	428.410	5.187	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)c1	15012393	PVXRUJWHRDJWED-HMAPJEAMSA-N	446.510	5.506	50	40	IKGB	
N#CCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	33927858	PAQXWPIBRKRSRA-MIXAMLLLSA-N	438.918	5.828	50	40	IKGB	
CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(C(C)C)cc4)cc3C2)cc1	58872029	WQEJQLNMKHCWNH-LQKURTRISA-N	427.548	5.493	50	40	IKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917776	VTIYJDMRWCWXKU-GAVQXMQBSA-N	426.495	5.201	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccs1	59197911	VNZXZFICKAXGJN-BHGWPJFGSA-N	428.344	5.822	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1ccccc1	96476449	USPWQHZJXTXCSM-UVTDQMKNSA-N	427.685	5.908	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)cc1	408752719	JSLJYSTVNMLVHR-RDRPBHBLSA-N	438.575	5.828	50	40	IKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408789919	SPCOGRCVEYMGNM-WUXMJOGZSA-N	440.124	5.619	50	40	IKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408836366	QNODDABEJGPGID-RIYZIHGNSA-N	433.291	5.121	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1	408865602	DALMVAIZHSCMSS-PXLXIMEGSA-N	428.463	5.139	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCc1ccc(Cl)cc1Cl	408890396	SLIIJLYWXOMEQZ-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1	408940247	URIJKQGMWVRYNV-BKUYFWCQSA-N	427.460	5.336	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C(=O)O)c1C	408985663	XJWXHILHFAZTQW-PDGQHHTCSA-N	433.895	5.300	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	408986034	LIQHBDHRVUPOMB-ZHZULCJRSA-N	432.955	5.668	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1[N+](=O)[O-]	408990976	YNGOKCUZPYWWGE-ODLFYWEKSA-N	448.910	5.818	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NC[C@@H]1CCCO1	409195429	IVBWAEMTBQTEGI-NLZIUFDSSA-N	435.527	5.045	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	1186063	LCXWTMBVPCGKLB-XSFVSMFZSA-N	448.364	5.965	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(F)c1	2807791	ALYJUFUCZKTLKR-WCMJOSRZSA-N	446.485	5.617	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)cc1	6055853	ANYFSQFHMMRGIF-ZHZULCJRSA-N	445.906	5.423	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	13943663	JKKXKZQKBCFMCK-WGOQTCKBSA-N	441.443	5.051	50	40	IKGB	
CCOc1ccc(/C(C)=N\NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1	14922791	CARHVDIOKANJDV-JVNMJCOASA-N	426.560	5.549	50	40	IKGB	
N#C/C(=C/c1cccn1-c1ccc(I)cc1)c1cccc([N+](=O)[O-])c1	33379335	IOBTZGYPBQGHBG-QINSGFPZSA-N	441.228	5.054	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	59418904	CKDZSYQRRSUMFV-ZMOGYAJESA-N	425.872	5.570	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C	118924092	WTPUAOBDIFVQRT-ZLPMDMCDSA-N	449.163	8.652	50	40	IKGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	226364586	IFFPKKDAEOJCIV-MDZDMXLPSA-N	445.696	5.609	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1	408793961	HHHQYPQAIWQKPI-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc2ccccc12	408883953	XHEXHOQTGURTPZ-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408894833	JEEOCUUFNCEMJF-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cc(C)cc(C)c1	408898707	MISQRVKZSCNWDC-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)cc1	3117791	YAWWKZNIYQXOQT-HSZRJFAPSA-N	445.632	6.295	50	40	IKGB	
Cc1ccc(CS/C(Nc2cc(C)cc(C)c2)=C(\C#N)S(=O)(=O)c2ccccc2)cc1	12437682	DALKYWVDJQRSHF-OCOZRVBESA-N	448.613	6.124	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1ccc(Cl)cc1Cl	14921427	WNTYNKMSUAEXGN-BRJLIKDPSA-N	442.327	6.050	50	40	IKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccccc1	33665945	QNABNODYPHFTAM-DIBXZPPDSA-N	428.561	5.026	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	33794116	LMTSMVKBWCSMJX-XMHGGMMESA-N	441.369	6.262	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1C	34799771	GFHMPRXHYIDDEJ-ZHZULCJRSA-N	443.478	5.006	50	40	IKGB	
CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	95117496	WBAJEALPTQPWJB-HXUWFJFHSA-N	444.387	6.081	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC	408582751	PXFCTBVSWUXJPG-FYJGNVAPSA-N	428.488	5.094	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408692739	UEIKOMXIBYXXJG-KBKYJPHKSA-N	449.769	5.617	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(F)cc2)cc1-c1cccc2ccccc12	408724256	JAUWDWZZCJXUEZ-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1	408787996	IADPEQVXEMNKRX-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	408816488	UUWYKEQFQJZKLD-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408825551	IPLDQCIIPRINOS-BWAHOGKJSA-N	447.538	6.219	50	40	IKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408874937	GJVSWZQWTUKEKT-HYARGMPZSA-N	434.461	6.459	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(O)cc1	408942205	YDJDBXZJYVOXKJ-PDGQHHTCSA-N	449.304	5.279	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)c1	408965032	FNEKUWNIPVFLKT-BKUYFWCQSA-N	449.348	6.098	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	408997153	LFTABDZXVWHLHC-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc4ccccc34)cc2)C2=C1CCCC2=O	409141626	WDJHOIKARXTGTQ-SANMLTNESA-N	435.527	5.149	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc2c(c1)OCO2	409366777	YCCIGMZCAVPGKL-ZDLGFXPLSA-N	447.321	6.789	50	40	IKGB	
CC(C)[C@]1(Cl)CC[C@@H]2[C@](Cl)([C@@H](Cl)C[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)[C@@H]1Cl	4403857	CUPOGARAUNRNNM-AZJLEXQYSA-N	444.270	6.523	50	40	IKGB	in-vitro
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1cccnc1	22002300	KEINPKXLNMZKHM-HXUWFJFHSA-N	438.453	5.041	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21	223507753	CWFPWKDOHCNYSB-NDENLUEZSA-N	433.983	6.604	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C	260573773	ZPJDPVNRKNNJIS-PBEVGHANSA-N	432.395	6.258	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1OC	408583451	USIDDYHLSYCKRC-PXLXIMEGSA-N	439.486	6.639	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Br)cc1	408779992	PJKKPXXHMLSUAH-PDGQHHTCSA-N	445.282	6.940	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408796804	PZPPKDBQNWDEQJ-RIYZIHGNSA-N	449.732	5.446	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408939416	SHOMHFDACKEDMI-ZDLGFXPLSA-N	433.851	5.373	50	40	IKGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)o2)c1	409022099	DZONLSQMWKHNCO-VROXFSQNSA-N	443.242	5.462	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3OC)c2C)cc1Cl	409063178	ICOXSJSNXPYWPP-LDADJPATSA-N	435.911	5.310	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	409131104	NBJWIDKBPFAYDJ-WGOQTCKBSA-N	438.980	5.860	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1	409313769	IYTCDVSCVDRTAI-KQWNVCNZSA-N	439.942	7.535	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1Br	409356814	HPCJPNTYPBRBDY-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1	1801175	NNUJKXVGEWPRDT-CABCVRRESA-N	431.555	5.487	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1O[C@@H](C)CC	2162446	YGVDZBPAFRRCMB-DCMOEJRUSA-N	430.504	5.926	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12	2177719	NRNUDBTVUJUDES-AZRQGOPLSA-N	431.319	5.463	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\C(Br)=C\c2ccccc2)cc1	8860967	PJCUCTNFONXPRO-RFQHHANMSA-N	425.370	5.626	50	40	IKGB	
Cc1cc(C)c2sc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)nc2c1	9381886	PLZJEVXEGNCPSK-UHFFFAOYSA-N	430.558	5.947	50	40	IKGB	
C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(C(C)(C)C)cc1	14921712	GCCBCKRDWRBXMK-WGOQTCKBSA-N	437.381	5.983	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	32116841	OGLVTUKGIXRPGS-FMCGGJTJSA-N	446.315	5.817	50	40	IKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1	55082644	GMWXPHAZFWNGSP-HXUWFJFHSA-N	442.607	6.005	50	40	IKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	67192515	BQNZDDAUZSEBKQ-RWPZCVJISA-N	445.950	5.489	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc2ccccc12	408587691	GRIGBERQGMQWRA-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccccc1	408676756	NEYHYXXTGDLRFG-VUTHCHCSSA-N	436.559	5.362	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	408737929	KICUOPJGMZDROR-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408754411	NFIMQYUIEOHRBB-ZROIWOOFSA-N	427.243	5.497	50	40	IKGB	
N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408880385	JPTPOIFPXBUJFC-ONNFQVAWSA-N	441.068	5.210	50	40	IKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)c1cc2ccccc2o1	408948330	RELLCZKBKDNFOC-LQNQUEJISA-N	445.478	5.801	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)cc1	409051497	CVJYQOVMVLPYOX-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl	409177937	HHSBKLFCIKPAGO-JFLMPSFJSA-N	436.939	5.237	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	409209195	GTJVIKHPINZHCA-SSDVNMTOSA-N	429.885	5.059	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	409354581	IHAKFIANZJWUQT-KKMKTNMSSA-N	446.309	5.274	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)cc1Br	409356713	HEMHHSIUBPHCPM-ODLFYWEKSA-N	425.757	6.883	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	3034131	QVTMRVAQRLVNHA-JVWAILMASA-N	430.891	5.796	50	40	IKGB	
C/C(=N\NC(=O)c1cccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	4721057	RPBOFWLDDKKPSC-INUKPONYSA-N	437.628	5.207	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)o1	9311149	XQPDJGNVXKNZBX-TWKHWXDSSA-N	445.522	6.477	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59301820	AWLGKYKIVDDUAS-MZJWZYIUSA-N	445.906	5.363	50	40	IKGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c1	59447423	QFLASQYJAUYTAZ-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
C/C(=N/NC(=O)c1ccncc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	95680553	UVRRRKXFKURMGX-NQWIHDDBSA-N	437.628	5.207	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	107671264	IATHPGHRIPUTAU-IWIPYMOSSA-N	447.919	5.370	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc2[C@@H](C)CC1(C)C	223576304	RZOFNXPTHCUNEU-LAWDAALWSA-N	445.529	5.819	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)c1C	408744637	MITVQLYPRMACNC-STZFKDTASA-N	427.504	5.043	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C	408797993	DFPFNLORZGVAHF-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408873627	UAMWKDXXWOYHAY-OVVQPSECSA-N	444.578	7.210	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408880466	KBPDFTZWBGZXBZ-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cc(C)cc(C)c1	408887582	RYYBGSFFPNSLLS-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)cc1	408898147	UZSQCPVJONDYNE-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2c1	409009423	FOTXEUIUEGVQFW-JVWAILMASA-N	427.504	5.028	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)s3)C3=C2CCCC3=O)cc1	705429	VQRLXWQQEVZZFS-LJQANCHMSA-N	440.366	5.124	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)o2)cc1)c1nc2ccccc2[nH]1	9086933	CIEAVBQLGBUYTR-SDNWHVSQSA-N	434.249	5.202	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	10059290	CGOBLLYMXFXOGX-KXVDBBMMSA-N	444.453	6.008	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OC(C)=O	13658677	VTXPOBGBLSMEPI-XDHOZWIPSA-N	426.497	5.961	50	40	IKGB	
COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	33772729	GPLFKFDOULXFAE-SDQBBNPISA-N	447.130	5.469	50	40	IKGB	
Cc1c(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1	44950420	JJTRNMVXIGUOKA-NDZAJKAJSA-N	431.539	5.844	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc2ccccc12	59297116	QOMLSDWJDMEJND-CJLVFECKSA-N	438.914	6.618	50	40	IKGB	
CCCCCCCCCCC[C@@H](Br)[C@H](Br)CCCCC(=O)O	100302757	SWFMDFRDYDMKQK-IAGOWNOFSA-N	442.276	7.079	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@H]1c1ccco1	100703137	GXGZJPYIVQXXIV-HXUWFJFHSA-N	439.924	5.574	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C#N)(O[Si](C)(C)C)[C@@]4(C)CC[C@@H]32)C1	195778812	VSNTYDAJMLTELQ-SWLWOFJYSA-N	429.677	5.995	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl	408581310	WCCBLKIDXAOYJV-KGENOOAVSA-N	430.334	7.790	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)NCCc1ccccc1	408804477	AHTYVGQWMKZFBR-NCELDCMTSA-N	432.523	5.685	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(F)cc1	408805002	IJCCGRDCPXJMOO-KMYAOZERSA-N	437.518	5.922	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc2ncccc2c1	408967074	PSWNGQZMQRYGKK-RDRPBHBLSA-N	433.515	5.197	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3cc(C)ccc3C)o2)ccc1Cl	409366212	SYMRNGCFTIHVMC-VULFUBBASA-N	438.911	5.086	50	40	IKGB	
CN1c2ccc(CCBr)cc2Sc2ccc(CCBr)cc21	2191313	KDISLHMKOUEMAG-UHFFFAOYSA-N	427.205	5.794	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1	3170511	CXWXWJXCDKZYAL-CVKSISIWSA-N	446.348	5.524	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(CCC)s2)cc1OC	6163204	LJMAIZJRUJJJRF-GHRIWEEISA-N	428.558	5.004	50	40	IKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O	15930613	VGXGSSVFCRKTBJ-ZXSYOUNQSA-N	427.291	5.807	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	33362176	PRMVBXLDUHTYQY-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	40476976	FYVMFGPLONWONQ-CJLVFECKSA-N	445.588	6.552	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408586897	CXHOLIHNETZBQL-BRJLIKDPSA-N	434.754	5.747	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1	408849219	VOFAPPBBAXAECY-KGENOOAVSA-N	446.934	6.090	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1ccccc1F	408871140	WEOGSSGSEXVVMZ-UDWIEESQSA-N	434.898	6.014	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccco1	409222160	BXKXHCXMFIRWCS-RMORIDSASA-N	437.666	5.223	50	40	IKGB	
N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	409228344	XPTIPKGQHHOGJW-JXAWBTAJSA-N	435.449	6.004	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	409228445	AHSLODJTWWWJCC-MLPWYGTASA-N	439.946	6.127	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OC(C)C	409391177	HUEUSLHQEXZYIG-CHHVJCJISA-N	437.252	5.290	50	40	IKGB	
CCOc1ccc(N[C@@H](CC)C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1	8398735	FPAQNMURZGMFLD-DEOSSOPVSA-N	431.536	5.005	50	40	IKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	16157599	AAXGNOPDFKSPFD-LPYMAVHISA-N	429.885	5.141	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc(F)c1	35131469	QVEABGBLCUQSAC-OCKHKDLRSA-N	437.854	5.829	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1	408566311	FTTZBTKXCIYDMH-UNOMPAQXSA-N	428.467	5.350	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)cc1Br	408598618	GDHUWLIBMDECJF-AFUMVMLFSA-N	433.305	5.935	50	40	IKGB	
C=C1CC(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1	408732610	SLWMDERUGMXXEF-COEJQBHMSA-N	431.539	6.228	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br	408792785	COJMMWZPOKLTAQ-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1Br	408802853	IFUBOTVJORVAME-XNTDXEJSSA-N	431.717	5.521	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1	408924730	NYEJXWULUANEMN-RCCKNPSSSA-N	425.919	6.446	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	409117996	PRVMSBRLNWZBFN-VBYICHLGSA-N	425.985	5.687	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c(OCCC)c1	5246943	JMFUOWMBYTWLHK-WGOQTCKBSA-N	426.557	5.225	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1	8811060	OWPGSKBVUCTIAA-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC3=C2C(=O)CCC3)o1	13174366	QOMWCQPDLZXDBA-HSZRJFAPSA-N	447.560	5.006	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C\c1c(O)ccc2ccccc12)c1ccccc1Cl	17041161	WZQMWKFNTLYORF-DICXZTSXSA-N	443.890	5.215	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Sc1nc2ccccc2s1	33792305	CIAPLVNLGRYFAH-GXDHUFHOSA-N	439.905	6.775	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccccc1Cl	33909742	WLLRKGHODXWZSJ-UNOMPAQXSA-N	429.907	6.177	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	34688574	CMTKUGDJGCGMKQ-PDGQHHTCSA-N	442.544	5.157	50	40	IKGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c1C	102508630	YITIYPNIKFKTGZ-ZGQMNJRFSA-N	436.899	5.607	50	40	IKGB	
CCOc1ccc2c(N/N=C\c3ccc(N(CCCl)CCCl)cc3)cc(C)nc2c1	104208366	YKBUBGVHUMOMJF-QQXSKIMKSA-N	445.394	5.672	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C)[C@@H](C)CC(C)(C)N2C(C)C	223597995	IPNFNBXVWWVZCI-YTLMXASBSA-N	429.608	6.658	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)ccc1Cl	408691877	VLVRXJWDDGGFLC-WJDWOHSUSA-N	431.879	5.734	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)c1	408744709	GOZCETREHDOQIY-JCMHNJIXSA-N	435.527	5.942	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1	408745921	WLNSDGLBTYMAPI-PTNGSMBKSA-N	436.851	5.243	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1	408897167	WPRFJWVUTNWFMA-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c(Cl)c1	409053163	YELKOFWHZIYQRK-NSKAYECMSA-N	441.236	6.345	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)cc1C	409267215	MOJGQCYDGPAMSE-FYJGNVAPSA-N	427.460	5.293	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1cccs1	989283	IWBAQMGMKMSRRL-LJQANCHMSA-N	430.982	5.594	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1	1801177	NNUJKXVGEWPRDT-GJZGRUSLSA-N	431.555	5.487	50	40	IKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)c3ccccc3n2)cc1	2109781	QKNCOAQDRVOSQH-FDAWAROLSA-N	446.554	6.445	50	40	IKGB	
COc1ccccc1N(C(=O)CCCl)[C@H](C#N)c1ccccc1OCc1ccccc1	2191117	OYLLZKDJQICUDV-JOCHJYFZSA-N	434.923	5.501	50	40	IKGB	
CCOc1ccc2ccc(OCC)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c2c1	6631284	KDYPVGWYAOMOGC-HSZRJFAPSA-N	432.520	5.088	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057450	BXNAHMSXTQTMLF-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	14152254	GMARQUWXKGKXDV-NBVRZTHBSA-N	437.524	5.209	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	33722711	CPCHPKHVMXGGLT-DWKHYPNZSA-N	439.968	5.875	50	40	IKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2ccc(Br)cc2)o1	408535568	YWYAXBVMGRXDTL-QGOAFFKASA-N	430.305	6.267	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1Cl	408745222	QJHXEWGMEWLQRY-UNOMPAQXSA-N	447.922	5.388	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1cccc(F)c1	408855805	FADKVXWYUBEOCT-CPNJWEJPSA-N	443.909	6.336	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1	408892766	CWCMBHARXMRRMX-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Cl)c1	408897063	QGKPTEDZNOVVSQ-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc2ccccc2c1	408921751	BTWIQNJIPKIZHK-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	409210916	MEFLAURNRMEVCJ-DHRITJCHSA-N	445.371	5.815	50	40	IKGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	954231	DXCIHGQXMKSQFF-OQLLNIDSSA-N	442.313	5.181	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O	1454017	RRSQYUZYXFDWQY-IBGZPJMESA-N	442.327	5.553	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3)cc2[C@H]1c1ccc(Br)cc1	2316997	QAPRFNCWCBXYBR-QCQFVGOUSA-N	446.304	5.123	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1	2861934	QCPYUGVHMHTGHI-OVCLIPMQSA-N	442.258	6.162	50	40	IKGB	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(=O)c1cccs1	9789089	AGYSLMGJWMNINH-ODCIPOBUSA-N	427.744	5.025	50	40	IKGB	
COc1cccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)c1	26533322	IIGAKTOOHPFJOB-RVDMUPIBSA-N	433.514	5.790	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1	28215991	AZXUFATWDAMPPH-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Cl)cc3)o2)cc1	35384000	QBBRYKGHFTVRIR-DICXZTSXSA-N	447.922	5.683	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58917180	KLSRZEAOHIZPIW-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
CC(=O)OC/C(=C\C#N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118932864	GLGIQLSIIQHBKV-BQLYWCJCSA-N	439.596	5.510	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	408746103	XHCIYOYJUQVFSD-MOHJPFBDSA-N	448.522	6.363	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c1	408758835	SEXBREQGIFIZTE-XQNSMLJCSA-N	434.495	5.973	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)c1	408777698	GFVQAKHMCXMUGZ-STZFKDTASA-N	430.479	5.738	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1F	408790517	PVNZXYMCKPJZNP-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2cccc([N+](=O)[O-])c2)c1	408798481	FNOFYZCMDAMEML-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(=O)O	408885917	GWCREGCKGJTTPC-QGOAFFKASA-N	432.863	5.163	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2cc(C)cc(C)c2)c1	408893987	HVDYVXFWEZJXHB-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1	409264519	KRNWQLCNCCBEAU-VYYCAZPPSA-N	449.938	5.047	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1cccc2ccccc12	409392445	PLNOWYSFTHOVOW-FDAWAROLSA-N	446.554	5.963	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=O	703887	JXMPQAGGSCWEGL-IBGZPJMESA-N	441.434	5.265	50	40	IKGB	
COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1	1296905	WQRORCICLDJJJQ-FOWTUZBSSA-N	449.532	5.207	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	2056143	KMLYTLGXBJJJKB-LPYMAVHISA-N	435.387	5.012	50	40	IKGB	
COc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccc(Cl)cc1Cl	4196233	BMKUZLDICZEWBC-UHFFFAOYSA-N	438.108	5.774	50	40	IKGB	
COc1cccc(/C=N/NC(=O)Nc2ccccc2)c1OCCCOc1cc(C)ccc1C	9659444	VQWFNGMCEXRUKA-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccccc1	13647270	AVYGJEKGHRIOOS-PKAZHMFMSA-N	444.922	5.463	50	40	IKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2	15906780	ALKYMHUMCBFXIM-NTCAYCPXSA-N	441.393	5.096	50	40	IKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2CN(Cc2ccccc2)C12CCCCC2	20348074	FSHDRTLOXKXJSZ-UHFFFAOYSA-N	430.621	5.364	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1cccc2ccccc12	30902155	GZZKLHFTBPKLCD-FSGOGVSDSA-N	430.507	6.336	50	40	IKGB	
Clc1ccc(-c2nnc([C@H](Br)[C@@H](Br)c3ccccc3)o2)cc1	100292369	DAZDIIGRADBXNY-UONOGXRCSA-N	442.538	5.962	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc21	223503780	SPUQNVHIHSNZDL-UXHLAJHPSA-N	439.603	6.251	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4cccc5ccccc45)cc3)[nH]c2cc1C	408541748	DNAGQYSVNAQAGH-LFVJCYFKSA-N	429.523	6.976	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)O	408548355	GUVKNWIQPLZXBL-NVMNQCDNSA-N	438.277	5.138	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1	408745570	SRPKRKWQLCFNCN-NDENLUEZSA-N	432.907	5.782	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(C)c(C)c2)c1	408797965	HJFWIEGQQBSAEK-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1	408833195	ZVYHYNXVIJKOBT-JBASAIQMSA-N	439.603	5.719	50	40	IKGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3c4ccccc4cc4ccccc34)CC2=O)cc1	409155260	QGRGMOMLMMHWFE-UYNMVUAKSA-N	435.527	5.059	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	409364556	OAKWRGKMTBSTGQ-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
Cc1ccc([C@@H](Br)[C@H](Br)COc2ccc([N+](=O)[O-])cc2)cc1	825928	XPWVDMWHBKPRFC-HZPDHXFCSA-N	429.108	5.182	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)cc1	1252339	GMNOPIVBVFKRFF-GHRIWEEISA-N	429.501	5.600	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C)cc1	15012397	MWCAGJPFMWBMSO-IWIPYMOSSA-N	426.516	5.196	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	58927900	OVYJYTQSEMGWOV-DHRITJCHSA-N	445.371	5.815	50	40	IKGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	59167241	WRQWGGUZIRLYRU-BRJLIKDPSA-N	443.286	5.035	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc4ccccc34)o2)cc1	96398843	IKGWUCXRWKNBQY-PGMHBOJBSA-N	436.467	5.822	50	40	IKGB	
CC(C)(C)[Si](C)(C)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1ccccc1F)C2	201574106	JXKWYJOETGEQIV-QFIPXVFZSA-N	445.676	6.350	50	40	IKGB	in-vitro
CCN1c2cc(C)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc2[C@H](C)CC1(C)C	208323085	NGRRPHAHDWXOEY-CJHIPLPSSA-N	427.592	5.953	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408527920	GSEJQFUKYRCDNJ-CCVNUDIWSA-N	430.939	5.214	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC	408570704	XRQXWTXJNFQWFO-QPEQYQDCSA-N	430.277	5.326	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1	408793849	QJUVLEHCSRQQBI-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)O	408926712	XPFFVXXRVZFNRF-LTGZKZEYSA-N	448.478	5.663	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Br)cc1	409227292	YZZSLILURGYOAO-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c3ccccc32)c1	409242793	VSGPTDBXFFAHRA-BWAHOGKJSA-N	433.555	5.654	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1OCC	409313006	AVQZIGZWRVEZJE-IMRQLAEWSA-N	432.520	5.217	50	40	IKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409337412	YGRGLPSCSNVVKP-INIZCTEOSA-N	433.360	5.664	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409387985	SQUDUGLQLRHHIA-ODLFYWEKSA-N	440.330	5.668	50	40	IKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccccc1	713485	HZROCXBZMPPRIW-FQEVSTJZSA-N	443.856	5.664	50	40	IKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	3146234	MLIBXKWNOCNEMU-LQKURTRISA-N	425.532	5.144	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1Cl	8722566	HPXTWXYYLOUDMI-BAAJCKPNSA-N	442.906	6.687	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1cccc2ccccc12	8812123	HMYZRPWOYKMYKB-STBIYBPSSA-N	442.490	5.721	50	40	IKGB	
N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc(O)c2cc(Br)ccc2n1	9090433	UPYOFAQMEGUDLY-MDWZMJQESA-N	437.684	5.364	50	40	IKGB	
CCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCCCCC)cc2)cc1	16638566	HPIZRUDABAHNCQ-HKSLHJNNSA-N	440.584	5.742	50	40	IKGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)c1ccccc1	58917353	KLTVFHWRBQMEFR-LHXREVONSA-N	430.335	5.239	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1F	59133416	VCXZTCBVEKTKHN-STZFKDTASA-N	430.479	5.658	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1	59473400	MRUQBDNTCAWVGR-VFCFBJKWSA-N	430.617	6.572	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC	108261811	VKVLCANZTNZZSE-NXYZXBHKSA-N	440.927	5.452	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCC	109046563	MSXZESDCZCNMQA-ZVHZXABRSA-N	441.325	5.164	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl	408538127	JNEZWPJZAVOXRF-ATVHPVEESA-N	447.362	6.507	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)nn2-c2ccccc2C)cc1	408723905	ADBZKOPJKOYWJW-JVWAILMASA-N	428.923	5.573	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1	408745980	PSWXKIZKTXHRSF-AQTBWJFISA-N	433.851	5.373	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(OCC)c2)cc1	408870707	WLXYFWIJWSFQQT-PXLXIMEGSA-N	444.506	5.760	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(C)cc3)c2)c([N+](=O)[O-])c1	408887598	PFPANFKMQKTMLH-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1C	408983908	OFLRVJWIEMBQFH-UNOMPAQXSA-N	447.922	5.388	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)o2)c(Br)c1	409228800	FKMCTPBPPKUHTL-HZGBGQKMSA-N	435.321	5.802	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1	409239476	NAVYQRFKPPTWTF-MXAYSNPKSA-N	445.371	5.982	50	40	IKGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC	409309616	JTODBOZVFMTRRC-MYYYXRDXSA-N	448.947	5.089	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(Cl)c(C(=O)OCC#N)c4)o3)[nH]c2c1	9010224	OHLDOHVLNUTAIM-WJDWOHSUSA-N	442.862	5.529	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)c(C)c1	28217017	RAINEJQZAITVPH-CVKSISIWSA-N	440.012	5.997	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](C)[C@@H]4C(C)=O)[C@@H]3C[C@H](Cl)[C@@]2(Cl)C1	118918131	PYBGGSNABBXWHO-FTXXKEFWSA-N	443.455	5.991	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C(C)C	223591999	HHOCYXYHCYXVPL-BLNASNEQSA-N	442.003	5.678	50	40	IKGB	
COc1ccccc1OCC(=O)N/N=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	223595301	IKQKGSZYVXKYQQ-IKNFNJQFSA-N	437.584	5.033	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1Br	408748145	ZCURGVLHIFGHTI-MOSHPQCFSA-N	434.337	5.080	50	40	IKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(C(C)(C)C)c1O	408754985	PKEXEAPYYFOFRE-FYJGNVAPSA-N	426.560	6.686	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC	408790385	POQNRCCBCPJULZ-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1	408792914	BZUMRVPYRIYUEZ-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(C)c2)cc1	408811128	KEMAKNORBTXWHS-KGENOOAVSA-N	428.488	5.137	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Cl)cc1	408882044	NIEQASIIPYQYTN-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2O)cc1Cl	408982852	FNWODNUMIUKAQG-NYYWCZLTSA-N	426.097	5.316	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1C#N	409191566	ZGGSCCNBAVISJM-RWPZCVJISA-N	426.907	5.287	50	40	IKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1	409241100	RDSMHLHJNWVHNZ-KAMYIIQDSA-N	440.377	5.298	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccccc1Cl	409360418	FINFYGCAGYGVBK-DICXZTSXSA-N	436.939	5.237	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OCc1ccccc1Cl	2774548	BMHCRMBQEQWGAL-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@H](c2ccccc2)C1(OCC)OCC	8445507	HFLTWLVSNNAADZ-QHCPKHFHSA-N	437.536	5.231	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1	9202219	IJIVWAUMNGSCRE-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	9261711	BQVRGHMRXULVEH-CPNJWEJPSA-N	434.337	5.711	50	40	IKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4)CC(=O)N3C2)cc1	9693556	DUVVKDVOYDOYSD-QFIPXVFZSA-N	433.577	5.257	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1nc2ccccc2[nH]1	12628383	YNDLUYQGROZZCF-BOPFTXTBSA-N	448.295	6.108	50	40	IKGB	
CN1C2=C(C#N)[C@](c3ccccc3)(C(F)(F)F)N/C(=N\c3ccccc3)N2c2ccccc21	12644789	IHLMPMCXWFKINC-XMMPIXPASA-N	445.448	5.427	50	40	IKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1OCC	15018558	BRHWIWRYJHWINX-JVWAILMASA-N	428.488	5.486	50	40	IKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C(\c1ccccc1)c1ccccn1	17095710	STMVRQJVYVSEOY-HPNDGRJYSA-N	428.319	5.116	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=N/NC(=O)c4ccncc4)CC[C@H]32)C1	253500983	PXMZBKQJYAKCCM-ZWWFLMBXSA-N	449.595	5.062	50	40	IKGB	
Cc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br	408599306	SGAHUZUSFGZPFX-SSDVNMTOSA-N	446.142	5.437	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)nn2-c2ccccc2C)cc1	408727173	VANHBIXJVQJXRP-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1	408757031	ZFOOHYFEEQOVBL-UVTDQMKNSA-N	427.685	5.908	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)C(=O)Nc1ccccc1	408991714	OYNCIYDWZOMJEG-JLHYYAGUSA-N	448.485	5.494	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)c1	409041634	KFCZINFXQSMBNK-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	409199317	BMHLPPHSZXXLHP-ZHZULCJRSA-N	436.471	5.561	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1	409242897	PPSJHFIHBTXXMS-KSEXSDGBSA-N	435.680	5.194	50	40	IKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)n(-c2ccccc2)n1	887388	KVFFGUSFMRFJKT-SAPNQHFASA-N	428.879	5.640	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1	3885210	LMUSDELPFRNPKF-BCAKAMLXSA-N	433.766	6.355	50	40	IKGB	
N#C/C(=C\c1ccc(O)c(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1	12741941	JKPPDMQQCLCDFE-BJMVGYQFSA-N	425.229	5.847	50	40	IKGB	
Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C\c3ccco3)c12	36624815	XSTSZOCCBAJRGR-COEJQBHMSA-N	447.538	6.417	50	40	IKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1	40476969	AQWCRXHBCYRODS-RCCKNPSSSA-N	425.513	6.117	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1Cl	40846870	NGAMQYDXTQBGMW-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	59432993	VYJRWYLZAKPNCL-DEDYPNTBSA-N	448.364	6.019	50	40	IKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	59473515	YGLFKYYRQLCNFO-WGOQTCKBSA-N	436.964	5.961	50	40	IKGB	
N#C/C(=C\c1ccc(N2CCCCC2)cc1F)C(=O)Nc1sc2c(c1C#N)CCCC2	408552839	KNSXWGHCYAZUBL-SFQUDFHCSA-N	434.540	5.174	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408569024	YDCCASTUOWYHML-WPWMEQJKSA-N	445.519	5.164	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl	408589085	KPAPQMGHHKGVKG-WYMPLXKRSA-N	445.306	5.002	50	40	IKGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408719421	DUHZGBGJBASSPH-CLCAUBNZSA-N	440.568	6.050	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(F)cc2)cc1	408814232	OLZWZSFIINHROL-XSFVSMFZSA-N	446.478	5.358	50	40	IKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1	408923399	IHZAUARVQJCQNW-JVWAILMASA-N	428.875	5.476	50	40	IKGB	
Cc1n[nH]c2c1[C@@H](c1ccc(-c3c(Cl)cc(Cl)cc3Cl)s1)C(C#N)=C(N)O2	703642	AZWCNSIUQIPTCD-OAHLLOKOSA-N	437.739	5.625	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1	954319	OZLZBQAUUYHNJO-VCHYOVAHSA-N	437.952	5.640	50	40	IKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1	2276871	FTDFDGFCLYOELS-CYVLTUHYSA-N	449.535	6.609	50	40	IKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	3088702	PJCCYQJIYPVJFC-DHRITJCHSA-N	445.947	5.491	50	40	IKGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1c2ccccc2cc2ccccc12	13576159	MTHYFLQPQRXLIB-AFUMVMLFSA-N	429.501	5.285	50	40	IKGB	
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	13942679	IJGOYECUAALYSL-RWVGPTSPSA-N	444.531	5.474	50	40	IKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)cc1OC	33609610	AXOIVOCYMGADBV-JLPGSUDCSA-N	447.373	5.110	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1	33620948	LOLMSAYQYMSIBL-WQRHYEAKSA-N	438.296	6.240	50	40	IKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1	33650921	RLBAYHVNGBJBNW-OGLMXYFKSA-N	437.499	5.141	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1OCc1cccc(C(=O)O)c1	33659227	YAJSNSRJKMEEGS-MOSHPQCFSA-N	439.471	5.221	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC	33695226	JJJLEWRPXHNQQY-LFIBNONCSA-N	429.314	5.182	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	408567415	NACTUYQTTREQQS-OGLMXYFKSA-N	434.967	5.909	50	40	IKGB	
Cc1ccccc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408727357	WBIHERXBDPWQST-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c3ccccc32)cc1	408798308	VZIJAJKXBBZAKV-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc(C)cc2)c1	408808460	JABQWIXGVOUUPS-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1	408873465	UKHUPTSJEUMJPA-UDWIEESQSA-N	448.881	5.402	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1	408891622	UCLUSFGYOQPELN-OGLMXYFKSA-N	438.483	5.140	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1C	408926745	YBXFBRRCZMUETB-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)cc3)c2C)cc1	408931029	GFXMZIUBXYDXHU-OYKKKHCWSA-N	439.357	5.575	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl	409054597	TWOVGHMIWREJDS-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1	409362479	GMWBZWFHRODESL-ZVHZXABRSA-N	425.326	5.273	50	40	IKGB	
CCOC(=O)/C(C#N)=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	2083301	VNWWMZKAASJVJP-CFJGBQGBSA-N	425.569	5.264	50	40	IKGB	biogenic
COc1ccc2nc(NC(=O)N[C@@H](c3ccc(C)c(F)c3)C(Cl)Cl)sc2c1	3212544	XQFSXRBQGTWUPN-HNNXBMFYSA-N	428.316	5.419	50	40	IKGB	
CCOC(=O)/C(C#N)=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1	6544778	WWNKCKILGBXFER-RCMKRQMOSA-N	447.538	6.177	50	40	IKGB	
N#C/C(=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1nc2ccccc2[nH]1	8854974	ZAQGREQOHRXSQJ-ROMGYVFFSA-N	426.479	5.697	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc2cc(C(F)(F)F)ccc2s1	12558381	DJYZHBWVLZOCGU-UKTHLTGXSA-N	444.869	6.527	50	40	IKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc2c3c(cccc13)CC2	15221675	AXYZAXMKTMRISO-WYMPLXKRSA-N	439.378	5.084	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1	28216868	FIQCWQBSPMMRHE-MTDXEUNCSA-N	439.584	6.150	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C)c1	59117262	ZOAAIKVIJNFXCV-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
C/C(=N\NC(=O)c1cccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	118935190	RPBOFWLDDKKPSC-UMNAXRFCSA-N	437.628	5.207	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(C)cc1	408543446	RFMFJKJCELFJQJ-UUYOSTAYSA-N	447.918	6.389	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408569984	RIIGMLDVUQTOGW-IUXPMGMMSA-N	447.853	5.697	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(C2CCCCC2)cc1	408734188	FNQAXGPFKDSXHX-MKWGYRPRSA-N	431.580	5.344	50	40	IKGB	
CC(C)c1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1	408782404	IEMBEGIIUVFFSC-UHFFFAOYSA-N	449.661	5.353	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408812730	TUEUPWUSIHLDMU-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(Cl)c1Cl	408839961	BTLAZVGAXWRGLR-ROTLSHHCSA-N	426.303	5.911	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408847149	LWKBOMLMUKDJGG-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
COc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Br	409044706	WUIUFQFOZBHNBB-IZZDOVSWSA-N	434.087	5.426	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1nc2ccccc2[nH]1	409046322	KBJRGGMSQMXMNK-CXUHLZMHSA-N	438.289	6.652	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1	409132553	QIHVNONLPMPMNX-JOCHJYFZSA-N	439.298	5.496	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)C3=C(CCCC3=O)N2)cc1	2342538	YLBSAHZBGGPBMX-DEOSSOPVSA-N	443.572	5.104	50	40	IKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	3089296	OXHKKNZVMWBCPC-GTPWMTBTSA-N	438.980	5.691	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	14131019	DIAQHNRGKZRPLT-MTJSOVHGSA-N	438.354	7.344	50	40	IKGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc(F)cc1Cl	226336803	ZKLTZEPGPKWDEJ-GORDUTHDSA-N	434.088	5.608	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(C)c1	408804828	ZOQYXMHPRXMWCN-KGENOOAVSA-N	430.479	5.658	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1	408882062	PVQQAAOBIJKACZ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Cl)c1	408894937	JVBYVMINJXOUKV-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408981694	CMGCDTOCZVBOIA-XGICHPGQSA-N	440.124	5.619	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccccc1Cl	409207450	XFDCGVIIYURISE-ZVHZXABRSA-N	428.941	5.072	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1	8722187	AJMIVPZESYBMPU-MFKUBSTISA-N	448.947	5.184	50	40	IKGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	9234428	AAZGIBAHEPXCKG-MFKUBSTISA-N	430.464	5.104	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1	12585283	AHLKFAMDRZGWQH-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
O=C(COc1ccc2ccccc2c1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1	15945087	RMLZEKRVVJHQMO-ZMFRSBBQSA-N	439.298	5.936	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1O[C@@H](C)CC	35385724	YSFVLIRTUUGQOP-DUPVFGOHSA-N	442.899	5.160	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)c(C)c1	408745240	QNRMHBYYJTUJMX-HMAPJEAMSA-N	427.504	5.043	50	40	IKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(F)cc1	408787006	PNWGNMFXHVUMIP-RHANQZHGSA-N	441.506	5.429	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1	408799334	YOQVTRJRLOWVMQ-HKOYGPOVSA-N	448.522	6.363	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)ccc21	408858742	LONQBSGEUDRQGY-SFQUDFHCSA-N	429.907	6.022	50	40	IKGB	
C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	408996883	BGQAEBUUIUSZGA-QFIPXVFZSA-N	449.554	5.193	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl	409068642	SERPBCJRAZNEIW-WYMPLXKRSA-N	435.763	6.562	50	40	IKGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409072894	LNOMHPBNYBRILJ-CFRMEGHHSA-N	431.344	5.674	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(Cl)c2)cc1OC	409319134	APYNAYIVUFGVQO-CFRMEGHHSA-N	439.339	5.344	50	40	IKGB	
O=C(NN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1)c1ccc(Cl)cc1	1413804	ZTNDRDCKXHVRPG-UHFFFAOYSA-N	442.327	5.595	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	6148457	WHZJCCCQSWCMCS-RIYZIHGNSA-N	432.307	5.725	50	40	IKGB	
Cc1ccc([C@H](NC(=O)N(Cc2ccccc2)Cc2ccccc2)C(Cl)Cl)cc1F	8774343	ATDPQEPHNOQBOD-QFIPXVFZSA-N	445.365	6.391	50	40	IKGB	aggregator
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C(=O)O)c1C	9763656	VAXNSHACRVCKOQ-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CC(C)(C)CC2=O)N1	13080672	GHDZZYKSUDURBZ-JOCHJYFZSA-N	447.560	5.025	50	40	IKGB	
CCO[P@](=S)(CC)Oc1cc(-c2ccccc2)nc(-c2ccc(C)c(Cl)c2)n1	33414732	HWVPPHQXQCKMEZ-HHHXNRCGSA-N	432.913	6.517	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(=O)[C@@H]32)cc1	33853975	XQJWOLBBKLYMNY-DHIUTWEWSA-N	436.964	5.925	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	108278935	UBIPVSXQWLTAAP-BOPFTXTBSA-N	443.341	5.491	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	137021696	XPYCTBNQKFTDQX-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21	208455132	UZGKWXSFZDLSGY-MFOYZWKCSA-N	440.374	6.479	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1	408542734	KVCMZAWDJOOTFE-AQTBWJFISA-N	439.471	5.089	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)Sc1nc2ccccc2[nH]1	408598802	JVDOSQCXPHXFOW-JWGURIENSA-N	433.536	6.952	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC	408792225	JSHAPPROEKOSFC-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccccc1Cl	408799089	XUWRJFAYWUVNKH-FMIVXFBMSA-N	428.231	5.707	50	40	IKGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2C1(CBr)OCCO1	2049238408	PXLRPEYMUKKRQS-YGZDAZCWSA-N	441.450	5.144	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2[N+](=O)[O-])cc1	2633833	WFRRWFAVHDAMKJ-SBGXLDQMSA-N	443.528	5.839	50	40	IKGB	
CN1/C(=C\C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)C(C)(C)c2ccccc21	6179186	QWXWRFYVZFJHGT-ZHOJNOBQSA-N	435.527	6.179	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)c1nc2ccccc2[nH]1	9187247	IJPXWGLLMMCTNC-GZTJUZNOSA-N	426.882	6.423	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OC	15013745	KAAOYDYHQPMXKK-RIYZIHGNSA-N	439.680	5.416	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	59418848	ZYVYWOLGDSPAAI-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CSc2ccc(Cl)cc2)cc1	59473435	SDMPRDMHLCYYDT-UVHMKAGCSA-N	448.897	6.415	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1	85846263	ACPJRUQBUWHYJV-XMMPIXPASA-N	443.572	5.104	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(Br)cc1	107654486	OSAMGQGACFKJQO-MFKUBSTISA-N	448.320	5.166	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1	223507661	ZNUOFBUVOVIJCP-HMAPJEAMSA-N	443.591	6.350	50	40	IKGB	
O=C(Cl)/C=C/c1ccc(OCc2cccc(Br)c2)c(Br)c1	226334653	MOWADEFQBALYSA-FNORWQNLSA-N	430.523	5.569	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1C	408545231	ZVTYALWIDISYPG-YBFXNURJSA-N	448.353	7.130	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)c1	408745779	VMPNHBJGSMVZEC-WQRHYEAKSA-N	434.883	5.510	50	40	IKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408848906	WWMZRYRQXJGYMI-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1	409002751	PSXSRPITRQITAZ-DHRITJCHSA-N	426.303	5.318	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	409073297	LYBOIGZDMOUGQD-XDHOZWIPSA-N	439.920	5.489	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1	409202053	YQEXPRRZFZRQSC-WYMPLXKRSA-N	449.359	5.335	50	40	IKGB	
O=C(Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2Br)C(Cl)Cl	1723744	FBQMZDISRXNNNB-ZDUSSCGKSA-N	439.951	6.200	50	40	IKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	1905979	DPBDMCIKZNUAQH-QGOAFFKASA-N	437.952	5.722	50	40	IKGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1	3275471	UGBQRDAATNJACT-OGLMXYFKSA-N	443.547	5.285	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057375	RLZPKYXVNKXIKG-UKTHLTGXSA-N	428.231	5.707	50	40	IKGB	
Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)ccc12	9144426	VNYGMLDUALIWDV-RVDMUPIBSA-N	430.445	5.110	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(O)cc1	16268427	HDYJUWXNDLLOCF-WJDWOHSUSA-N	426.303	5.652	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1	209403711	DTNPGYMIDVJGPF-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl	408581450	WXZBSRCTPDUVPB-VCHYOVAHSA-N	444.745	7.299	50	40	IKGB	
Cc1c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(F)cc1	408599229	QHDQCZKUYMRDLL-XSFVSMFZSA-N	438.531	6.670	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c1	408765227	UQRSQVIQCDDYRI-JJIBRWJFSA-N	448.522	6.363	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1Cl	408814178	QJYVIIIDHWRFKY-PDGQHHTCSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	408817154	VKFQJBWJKSBJPO-JJIBRWJFSA-N	448.522	6.282	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409046457	KTGQMVUHRRDIFX-NTUHNPAUSA-N	439.220	5.570	50	40	IKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409065415	LOIGGIUNOTUBDD-GHRIWEEISA-N	440.864	5.080	50	40	IKGB	
CCCCCOc1c(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cccc1OC	4680448	BXAQOCXNCSIUNZ-NLRVBDNBSA-N	426.557	5.054	50	40	IKGB	
Cc1cc(C)c2nc(C)cc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)c2c1	6177854	JLFPQBXAXJQBJI-LGJNPRDNSA-N	429.545	5.261	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)cc1	9203320	JIAQAJAQKIKBLE-BUVRLJJBSA-N	425.326	5.084	50	40	IKGB	
CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	19644927	ZRBPKIRHZPWNJC-SLTFVWKPSA-N	446.554	5.886	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1	40007598	BYGHTVMIBQUIOV-CKMDTHJYSA-N	444.506	5.588	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1	59201091	PQHUOFQUGBDTJP-LICLKQGHSA-N	443.341	5.353	50	40	IKGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408745331	LSXWNRFFCASZTC-WDZFZDKYSA-N	426.097	5.310	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc(Cl)c1	408754580	RICZSWALIWWSAI-HYARGMPZSA-N	438.914	6.618	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1	408788063	AQFXSLHXRQEFRY-RCCKNPSSSA-N	427.460	5.282	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(F)c1	408815095	UHBWYPZYMGYJIX-STZFKDTASA-N	430.454	5.818	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1c(Cl)cccc1Cl	408897719	ZNJHHQUTKBIPQA-QGOAFFKASA-N	446.337	6.542	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1Cl	408994741	ZZSQYLDJLCSAHN-UNOMPAQXSA-N	447.878	5.681	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409263929	CYHLZHXHTRQRHR-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1cc(Cl)ccc1OCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)sc1C	650568	RMPVSAWTDTVMOP-NRFANRHFSA-N	440.952	5.412	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1C	9404899	UGDJSKGIAUPLOR-GDNBJRDFSA-N	433.886	7.076	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(COc3cccc(C)c3)c(OC)c2)c1	18192478	PNZHDDWZQNSPSU-HYARGMPZSA-N	442.515	5.527	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc(Cl)c(O)c(Cl)c1	20522993	RLAHZAQQEGKUGO-RPPGKUMJSA-N	438.314	5.466	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1	59224621	FGEGOIYRORWBHN-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1C#N	59432906	KIJQZJPGEYHVOY-OEAKJJBVSA-N	437.499	5.390	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	107872861	MYVLARSOFJGVEG-VULFUBBASA-N	429.347	6.244	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1)[C@H](C)CC(C)(C)N2C	208214239	ZRNPGARVXLVDDC-AQIFPNHESA-N	431.502	5.429	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21	223504240	ZXSUNWHPWXIGKZ-RDRPBHBLSA-N	440.591	5.960	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408567555	FPPRAMGZZPDANE-STZFKDTASA-N	442.497	6.922	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408794127	HWAFRSWKPJRYTA-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408796000	NXUJDBBMDRBJJC-YBFXNURJSA-N	448.309	5.990	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(F)cc1	408851019	UOAZXTHGXSEFSG-DEDYPNTBSA-N	434.898	6.221	50	40	IKGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408875196	HAJBQXJQZQDDAE-AUEPDCJTSA-N	446.363	5.182	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2)cc1	408891974	WOVRZJAGMPGOHR-XSFVSMFZSA-N	430.891	5.722	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc1	408987990	QBNHMJMMIMMOPN-AQTBWJFISA-N	434.879	5.631	50	40	IKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	409052834	AWQZCVOIANLOLA-OQLLNIDSSA-N	433.291	5.114	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1	409133649	NRRVLSWOBGANKM-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C#N)cc1)C(=O)NCc1ccccc1	409161284	MEWQCKZKLGMYJI-WSDLNYQXSA-N	427.891	5.014	50	40	IKGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/c1cccc(C(F)(F)F)c1	1704853	KILYVVZNIZYYBH-LGJNPRDNSA-N	449.300	5.757	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	2353725	HSFMUVCPTLSYQY-GFPZRUSRSA-N	439.540	5.060	50	40	IKGB	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)n(-c2ccccc2)n1	23410507	KVFFGUSFMRFJKT-VKAVYKQESA-N	428.879	5.640	50	40	IKGB	
O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cc2cc(Br)ccc2o1	83252622	FFTWWHYVUVEASB-OYKKKHCWSA-N	435.277	5.752	50	40	IKGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	100071261	IXGHOGPRSVPUER-UVTDQMKNSA-N	429.332	6.052	50	40	IKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(Cl)CCCC[C@]4(C)[C@H]3CC[C@@]21C	118928768	XGSMUUAKGGNLHB-UXWTYBCRSA-N	441.571	9.077	50	40	IKGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2C1(CBr)OCCO1	245240409	PXLRPEYMUKKRQS-TUGIDLRSSA-N	441.450	5.144	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	408555022	UZFBBDFXANTYPF-QAEAHILHSA-N	435.549	5.230	50	40	IKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408841535	LCOMTLJUBKDTRJ-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	408881403	MEERWIIYWTWEHV-LDADJPATSA-N	441.745	6.783	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	409071013	HXJYBVWVEKHZIW-SSZFMOIBSA-N	425.340	6.690	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(Br)c1	409234753	XYUBFMQOBNOZPC-WBRURWICSA-N	448.364	5.641	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	409235405	PJQPGNFERJAWOX-LQNQUEJISA-N	435.502	5.675	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1cccc(Cl)c1Cl	646943	CHOBFNPKBPTXOL-GOSISDBHSA-N	433.298	5.755	50	40	IKGB	
CC(=O)Nc1ccc(/N=N/c2ccc(N(Nc3ccc(NC(C)=O)cc3)C(C)=O)cc2)cc1	3845144	FQQADGWQOIOLBV-BYYHNAKLSA-N	444.495	5.399	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1sccc1C#N	17099601	KQKNXXSBJGKUJV-FYJGNVAPSA-N	435.512	5.077	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	28216500	IBOGLAZYKIDOSW-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	33397224	ICMWEXWYGBCSIC-YBEGLDIGSA-N	428.305	5.043	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1O	59473595	ZXEITAGPVDHBRW-ZMOGYAJESA-N	426.925	5.110	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1	59535848	FPMYCHRPTQYHTO-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)cc1	252481708	CQUIBYAIJRDGPH-LTGZKZEYSA-N	428.488	5.758	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)cc2)cc1	408534753	WSVUAKNXUWRQQR-IPPBACCNSA-N	441.453	5.155	50	40	IKGB	
O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc2ccccc12	408566530	HIEMIWOSUIGNHW-MBTHVWNTSA-N	449.337	6.490	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(C)cc1	408901081	ZXVKRZZQCFIFFX-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)c1cccc2ccccc12	409316631	ZBGUDMCXTMGJSU-KGENOOAVSA-N	436.917	7.699	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1OCC	409317953	SGYYWZRJFMKJHX-PKAZHMFMSA-N	432.520	5.135	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	409361677	PKJKFLPCCLWUHH-WGARJPEWSA-N	427.331	5.574	50	40	IKGB	
Cc1ccc(C(=O)NN(C(=O)Nc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1	1415218	YPFRQPFFMBPIJC-UHFFFAOYSA-N	446.507	5.641	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)c1	9261941	DONPDNIYBDUZMM-OGLMXYFKSA-N	439.515	5.188	50	40	IKGB	
CCOC(=O)/C(C#N)=C\c1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1	9358204	KNBOUWPUJBELSM-WJDWOHSUSA-N	426.303	5.375	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	12401096	ZISLUXQKUUUAAA-DEOSSOPVSA-N	447.538	5.506	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl	15019864	SRMSDCZMYUJKGN-LGJNPRDNSA-N	439.298	6.222	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)ccc1Cl	15231385	MWKJFCGLZUSZJG-GXWBUEHQSA-N	428.916	5.053	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1F	28216536	HSUKNIAQEJOETD-WJNWYLSZSA-N	429.948	5.518	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	33431540	GSDDOCCEWREADD-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
N#CC(=C\c1ccc(OCCOc2ccccc2)cc1)/C(O)=N/c1nc2ccccc2s1	41108879	GUFCAFHVVCTCPL-KNTRCKAVSA-N	441.512	5.949	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1C#N	59535666	OMPAURBLUJVGDB-XKZIYDEJSA-N	425.444	5.508	50	40	IKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4	95911236	FWPYIYVSYQRISA-FVJUVCJCSA-N	426.641	6.394	50	40	IKGB	biogenic,in-vitro
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(Cc2cccc(C)c2)c2ccccc12	100986721	PKVSRTPTDWTNIV-FMCGGJTJSA-N	441.538	6.007	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2[C@H]3C[C@@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1	217715896	IQANXENRXCCHTF-VHBAAAGKSA-N	432.745	5.084	50	40	IKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccccc1Br	408691703	MRAAESOXFUYUBN-PDGQHHTCSA-N	431.337	5.814	50	40	IKGB	
N#C/C(=C/c1cc(/N=N/c2ccccc2)ccc1O)C(=O)Nc1cccc(Br)c1	408761699	AZHJZKPKKPGZSP-WJVDKODRSA-N	447.292	6.116	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	409063616	AFVRAMQHXCIEQO-CJLVFECKSA-N	442.515	6.066	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)OCO2	409354542	HHCNSMCCUAVGMW-OPEKNORGSA-N	443.286	5.065	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409372965	UENKJZARIPZGNJ-XKZIYDEJSA-N	425.444	5.508	50	40	IKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1C	1009192	AWVGCJASBIQBBA-DEOSSOPVSA-N	448.950	5.659	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccn2c1C(=O)c1ccc(F)cc1	3253113	KUGSUHORRSNICK-DQJBRXLESA-N	443.522	5.220	50	40	IKGB	
Cc1ccc(Sc2c(/C=N/NC(=O)c3ccncc3)c(C)nn2-c2ccc(C)cc2)cc1	8387094	XOOCDWFYRGVLDS-JVWAILMASA-N	441.560	5.108	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1C	9693560	AIPCGEZOISOMNO-MRXNPFEDSA-N	444.387	5.830	50	40	IKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	10058859	RRRLESWBKUIQIB-PBEVGHANSA-N	445.346	6.296	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCCC1	19642630	FYNVGHKXBGNXJL-SILNSSARSA-N	444.966	5.939	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1	35084800	CJYXRCIJPBLUCJ-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc(Cl)cc1Cl	59250404	BASZXMYNKRRVJB-SSDVNMTOSA-N	437.124	5.311	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cc(C)ccc1O	102979783	KSLKEKOCBMDFRA-LQKURTRISA-N	429.907	5.723	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	107804145	FSXDFMKGCNWDPJ-WQRHYEAKSA-N	436.964	6.450	50	40	IKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1	108206830	LUAXLQZJSIPOLS-MZJWZYIUSA-N	444.922	5.065	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1	408543181	PXRFCDRVSKJTPI-UNOMPAQXSA-N	432.863	5.163	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1	408549184	QLRDVGLXOJXHOY-QRVIBDJDSA-N	430.334	7.790	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1cccc2ccccc12	408751848	CUBIKGHBUNXOEN-LTGZKZEYSA-N	444.494	5.841	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2C)cc1	408784013	RKXVXRNHMUMYKR-HMAPJEAMSA-N	438.531	5.828	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1	409063420	BMFMQRVCMSVSNZ-BUVRLJJBSA-N	425.484	5.765	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1	409226393	VQVOEZWLJBSVML-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409271206	KLGAKPXRFHMVFX-QGOAFFKASA-N	433.851	5.330	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)o2)c([N+](=O)[O-])c1	2774329	GCCWXEHPIZTSFY-GXDHUFHOSA-N	437.839	5.371	50	40	IKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1	3344548	GTLOGIFOPXSVLI-JCMHNJIXSA-N	425.488	5.078	50	40	IKGB	
Cc1cc(-c2ccc(/C=C(\C#N)C(=O)N3CCc4ccccc4C3)o2)ccc1Br	8721532	FOJOYRGVIIFUAL-DEDYPNTBSA-N	447.332	5.509	50	40	IKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1	9203522	SZMQKSHPRQPJEF-ZMOGYAJESA-N	444.760	5.203	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1	15231353	UZKWZCIXRJKSKW-YSURURNPSA-N	437.761	5.291	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1Cl	20760456	LVNXRETYHCTMPR-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c1C	59201460	UKZPGGNEDPHEQU-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	59447403	UWISDWPJSSBCGT-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408792717	CCKRCBCMLLLFKR-NTUHNPAUSA-N	439.726	5.990	50	40	IKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1	409271245	SUSHTYUANFWYJE-LDADJPATSA-N	433.851	5.330	50	40	IKGB	
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1	706186	OMKLXMSJHRRDTM-FQEVSTJZSA-N	427.401	5.149	50	40	IKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)o1	2669656	JSAWJUSXMPMSJN-OBGWFSINSA-N	430.342	6.520	50	40	IKGB	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1	9110089	VZBCMYXBUBEOPV-CVKSISIWSA-N	430.895	5.073	50	40	IKGB	
CC(C)OC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	12925295	RWRMEWKYKGLFFG-HXUWFJFHSA-N	444.984	5.930	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)o1	14407524	KOMLWINKZAEYJJ-FOKLQQMPSA-N	447.716	5.347	50	40	IKGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1	38682027	YIHMADQSTPJCGP-HSZRJFAPSA-N	428.513	5.154	50	40	IKGB	
O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3ccc(N(CCl)CCl)cc3)n2)cc1	101380467	IXTQPUMSZQZYCZ-ZVBGSRNCSA-N	436.324	5.363	50	40	IKGB	
Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccccc1C#N	408569211	MIQOEFBPWQNPKA-NDENLUEZSA-N	431.474	5.949	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccc(Br)cc1	408581066	UANRBYOSXAPXRA-CPNJWEJPSA-N	447.763	7.170	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1Cl	408726814	VLKKTIZIDITIIW-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(OC)c2)c1	408744839	HSLZGNYJYHTUSK-MOSHPQCFSA-N	446.478	5.358	50	40	IKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408804159	WOFUWCXGDKTAJT-GHRIWEEISA-N	435.321	5.935	50	40	IKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408829429	OJHRPMYXLVOSEK-RCCKNPSSSA-N	446.934	6.252	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1Cl	408879654	CEBVGMUCNSBXLG-YBFXNURJSA-N	439.317	6.577	50	40	IKGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1ccccc1	409044915	FFPGIUADCKKVRG-CPNJWEJPSA-N	433.305	5.531	50	40	IKGB	
N#C/C(=C(/Nc1ccccc1)SCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	2689411	UFYGGZHYUGZJDT-QURGRASLSA-N	440.977	5.852	50	40	IKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc3c(c2)nc(C)n3CC)cc1	3251069	JAEMRKKNGSZVRZ-MTDXEUNCSA-N	439.563	5.155	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc2c(ccc3ccccc32)o1	8437825	KPMPITUPKLLMTI-NUJZUDFISA-N	448.400	6.629	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	9144456	BEXWNLKIQPXKFP-RGEXLXHISA-N	425.463	5.383	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1C	9261807	RGKSFRHCTGRMJT-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	12659635	XDRFQGYFGZTBFF-GHRIWEEISA-N	432.867	5.562	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@H]1[C@@H]2[C@H]3C[C@@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1	13597930	IQANXENRXCCHTF-SZBVQMHLSA-N	432.745	5.084	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1	28216476	BLMNKWOXJATUSZ-YMSFFTPVSA-N	440.012	5.995	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(C(=O)O)o1	34869611	QXOZZSJFOPXJJF-YBEGLDIGSA-N	443.377	5.648	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	59335998	GUCQYZPNIJWAKW-LCYFTJDESA-N	442.258	6.016	50	40	IKGB	
CC(=O)Oc1cc(O)cc2occ(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)c(=O)c12	206557111	CKOSWKPQHZOZFX-UHFFFAOYSA-N	426.541	5.475	50	40	IKGB	in-vitro
CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1O	408764549	JFWHVSWKPICRIN-JVWAILMASA-N	440.584	5.174	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408785869	IWJHVSAYIOQRKU-QNGOZBTKSA-N	427.548	5.946	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1cccc(F)c1	408803266	NBHPZXKYPQCGIU-DTMXKTEGSA-N	429.539	5.739	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(Cl)c2)c1	408937814	PAZNZGZYOFIAJJ-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1	408962858	KLZZQSOMJKOVFH-XODNFHPESA-N	446.400	5.196	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	408997254	NJIZFVSSNWJBKW-DICXZTSXSA-N	431.923	5.673	50	40	IKGB	
Cc1ccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c3ccccc32)cc1	409022856	UZAUWWDHUUVNBZ-MUXKCCDJSA-N	441.918	6.162	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	1808328	FEAMTSHOTKMKQW-RCCKNPSSSA-N	445.946	6.929	50	40	IKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	28216280	XSGNZIWGAUKGFV-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
CCOc1cc(C(=O)N/N=C2/CCCC[C@@H]2C2CCCCC2)cc(OCC)c1OCC	103454278	AKKLLGYQBGSNSA-FLKYFCFGSA-N	430.589	5.739	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1ccccc1F	408882519	OSFBKJYEKIEVLS-DEDYPNTBSA-N	434.898	6.014	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccccc2Cl)c1	408888953	CZOWFKABLFWRJJ-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409044388	BSFAQZVPPIGYQR-NTUHNPAUSA-N	441.236	6.123	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC1CC1	409198723	DKLGSYVERNPERY-XDHOZWIPSA-N	447.332	5.367	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)COc3ccc([C@@H](C)CC)cc3)o2)cc1	10059281	XDQUVSWOUFEQMT-GEGDGZKASA-N	448.519	5.166	50	40	IKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	26688578	KLMMVBHNKRIBTA-SILNSSARSA-N	431.499	5.878	50	40	IKGB	
N#C/C(=C\c1c(Sc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	100476962	CXCHLCQEISSBTF-XNTDXEJSSA-N	448.416	5.627	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1Cl	408784794	VCPMEWZWGUGUOD-PDGQHHTCSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(C)cc2)c1	408805823	LSPACFLUMRVWSD-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408817545	XXPATROUKIVVEG-UHFFFAOYSA-N	426.545	5.717	50	40	IKGB	
CCCCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1Br	408971121	MOSZZLJALHWGSL-YDZHTSKRSA-N	445.313	5.147	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccccc1	409188113	ASEANNGGXNWMEK-KQWNVCNZSA-N	430.548	5.359	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409205015	FHDQDUZBLLUOBK-MGZHSMRGSA-N	447.922	5.075	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1	409236068	RNLARFGDEVOMKQ-KGENOOAVSA-N	425.463	5.383	50	40	IKGB	
N#CCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	13151702	PAQXWPIBRKRSRA-UHFFFAOYSA-N	438.918	5.828	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(NC(=O)Cc3ccccc3)Oc3ccc4ccccc4c32)cc1	13894141	UQZQURIZWTVHFI-MHZLTWQESA-N	446.506	5.467	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151719	NHNIFBUBULZPKR-RVDMUPIBSA-N	433.920	5.958	50	40	IKGB	
C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)N/N=C/c1cc(Cl)ccc1O	16322141	RBXIFXGTFHHIJQ-AZRQGOPLSA-N	445.302	5.409	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	20763755	WQOPWSNUPUOCPU-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	20764339	XYSAXWMSWBMCJW-ZVHZXABRSA-N	440.341	5.019	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3s2)c1C	33616514	SQYSSGRWFKIBTM-YBFXNURJSA-N	446.557	6.577	50	40	IKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21	34828872	LNYLGKASPUJDKL-DCVRHQNFSA-N	439.437	5.162	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12	107934475	KSOKBJMOJMUSIX-OCSSWDANSA-N	447.538	5.924	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	223477739	CMLNQFALWIAJLF-MZJWZYIUSA-N	435.955	6.260	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C	408590616	PXRITGFLYCUSGR-OPEKNORGSA-N	434.754	6.127	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1ccccc1	408746266	DFVFZDOUYHFWNS-STZFKDTASA-N	447.332	5.251	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408848031	PAGIRNXTNNANNZ-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)cc1	408935080	GKESRAVNCLMISP-UQQQWYQISA-N	432.523	6.527	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccccc1	409045466	YQPIHTYGEFORHH-VCHYOVAHSA-N	425.271	6.545	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1cccc2ccccc12	409070900	HHBKPUBAZLVQRU-OVVQPSECSA-N	431.535	7.220	50	40	IKGB	
COc1ccc(SCC(=O)N/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1	409243384	YEKFEKVTUQATSC-JFLMPSFJSA-N	447.535	5.080	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Br)c3)o2)c(Br)c1	409244615	GGCZITNOWKZYTA-PTNGSMBKSA-N	443.138	6.844	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)NC(=O)N1	409368001	LHLJUBUINFVTFV-IBGZPJMESA-N	430.335	5.750	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1	409390558	FHAPPBHERLEZKH-WPWMEQJKSA-N	439.471	5.445	50	40	IKGB	
Cc1cccc(NC(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1	673465	KMHOUFSOQJOPJN-UHFFFAOYSA-N	430.895	5.330	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1	2252092	MWMUCPMOUMUBBF-XKZIYDEJSA-N	425.919	6.446	50	40	IKGB	
O=C(N/N=C/c1ccncc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1	2261988	NVCIFPNCCJSQSK-NJZRLIGZSA-N	442.522	5.970	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C)c1C	10232885	YAMUHDALTSHUCB-WJDWOHSUSA-N	439.562	5.650	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1	13117013	MGSDZSMRLZJJMN-UDWIEESQSA-N	437.465	6.275	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1	14921113	YAQUZMMMIJROJF-KOEQRZSOSA-N	425.529	5.228	50	40	IKGB	
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc([C@@H](Cl)C(F)(F)F)c1	21487033	HTNJHEQGWYGACT-LJQANCHMSA-N	442.757	7.174	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1cccc(C#N)c1	33660223	PYOADVWDTRPGPV-YVNNLAQVSA-N	440.300	5.836	50	40	IKGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC(C)C)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080567	NUGUSLIYYFYTMM-ODEGYXBISA-N	447.579	5.417	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)cc1	59473188	PNCKJZJYWGFZJM-GTPWMTBTSA-N	438.980	5.858	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)oc12	260562794	BVGHUGWSSZFLTN-OVNWTWFZSA-N	447.579	6.014	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1nc2ccc(F)cc2[nH]1	408566907	JCDLSEWONQBITN-BOPFTXTBSA-N	448.295	6.108	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408583957	YXWMZNGDVYCDKK-KGENOOAVSA-N	430.460	5.645	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)c1	408746351	RZTFNUWAWWSYKD-HMAPJEAMSA-N	442.515	5.527	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Cl)c1	408791251	VFVKLHWRWJVKSX-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1	408795687	MHHULBZLYOCXOA-HMMYKYKNSA-N	443.459	5.118	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408846407	JGHVMTUOEDNZTD-MFOYZWKCSA-N	444.840	6.529	50	40	IKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	409201276	LDYYOFLVWMFLGS-VULFUBBASA-N	435.936	5.033	50	40	IKGB	
Cc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1	409256146	JXJMGAVWYKAYIP-UNOMPAQXSA-N	445.906	5.212	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)cc1OCC	409316894	MZEPERBJQOCDRJ-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
CCCCOc1ccc(C(=O)NNc2nc(SC)nc3sc4c(c23)CCCC4)cc1	2212965	YJGONCNWOYCULE-UHFFFAOYSA-N	442.610	5.228	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	8995483	OMEWRCAUQQMKJH-FMIVXFBMSA-N	431.304	6.310	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)[nH]n1)c1ccc(F)cc1	9353492	QYDWLRMIKPNRLV-VEILYXNESA-N	442.494	5.257	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)o2)cc1	12563647	NSVAPMNMHQDGJH-YBFXNURJSA-N	436.471	5.132	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC	12600479	XIXGIZQFMZSWIG-XMHGGMMESA-N	447.498	5.497	50	40	IKGB	
COc1ccc(/C(C)=N\NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1	13647840	KKJGHGGSZGULPO-BRPDVVIDSA-N	438.531	5.156	50	40	IKGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1cccc2ccccc12	13940933	LSUOEMXLOUIZEG-AFUMVMLFSA-N	437.337	5.010	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c(C)c1	28216215	DIAOVQOUTXVDTB-DHRITJCHSA-N	425.985	5.607	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc2ccccc12	35059710	RZIGPQMPFQOUFW-DTQAZKPQSA-N	433.294	6.952	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Sc1nc2ccccc2s1	35125737	RSKBKKWSWNRMPI-GXDHUFHOSA-N	429.353	7.520	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58886683	DXNSWCAHCXUDBH-MNVTYAKESA-N	444.362	5.365	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(C)c1	59201319	RBCBNNUHIKFVIP-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
BrCc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1	100438947	ZATPHYKFVATENZ-UHFFFAOYSA-N	447.356	5.808	50	40	IKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccc4ccccc4c3)c3ccccc32)c1	108012133	PCSBBAGFPSKSEI-UQQQWYQISA-N	441.534	6.806	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1Cl	408579374	GLJVULGJPMLZPU-KGENOOAVSA-N	430.334	7.790	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)c1	408599083	OOLXWVZCNAPJGK-KGENOOAVSA-N	442.544	5.804	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	409257684	UFPOTYPBMANXPZ-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCCC3)c3ccccc32)c1	781525	XFYAGBJFJPNHRP-OQKWZONESA-N	441.575	5.693	50	40	IKGB	
CCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(OCCC)c1	2176416	OPWVSUHTKIYZJV-ZMOGYAJESA-N	439.339	5.100	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C(\Nc1ccccc1)SCc1ccc(Cl)cc1	3058774	GQNIUAHCPQLOBB-DARPEHSRSA-N	433.964	6.368	50	40	IKGB	
CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CCl)c3C#N)C(C)(C)C2)cc1	3246419	AJDLYTNGENKEPN-AATRIKPKSA-N	426.969	5.974	50	40	IKGB	
O=C(COc1ccc2ccccc2c1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1	8395896	JAAHJHVKMJKNNL-MIXAMLLLSA-N	446.510	5.222	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1Cl	9262664	LDMYAIFGJISRDU-DTQAZKPQSA-N	425.340	6.690	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1	13388071	VWKMOSFEYLFHEL-HZHRSRAPSA-N	426.516	5.827	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	18272141	QHRXKTGFPSQYIT-OVCLIPMQSA-N	433.298	6.262	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)o1	20029532	IAYKPDAQDVMQAU-QFIPXVFZSA-N	447.560	5.025	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1	32531652	KWBDYAZFGMAJIT-LDADJPATSA-N	426.432	5.123	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C	33644479	QYYNKLLVJONAJH-UXHLAJHPSA-N	447.538	6.173	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1[N+](=O)[O-]	58871178	JVFKRJUKMOMKRU-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117499	GUGJGVNUMBBTEX-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=c1\oc2ccc3ccccc3c2cc1C1=NCc2ccccc2N1)c1ccccc1	98212102	FCYOAVUAXKNXOG-BLCKFSMSSA-N	444.494	5.204	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)Cc1cccc3ccccc13)[C@H](C)CC(C)(C)N2C(C)C	223592694	XBLHIIYKPRRXPR-OPKDQHMBSA-N	441.619	6.342	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408797787	SRCZHYUOHNCWJJ-CIAFOILYSA-N	427.891	5.645	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C)c(C)c1	408811045	JYOCDLASBVWZIM-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1	408817658	WCMOFLQEUOCWSV-JPOGYNCRSA-N	448.364	5.641	50	40	IKGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408824282	HTULAMBPPJSIFZ-HMMYKYKNSA-N	432.907	5.863	50	40	IKGB	
CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3ccc(Br)cc3)c2c1	409008154	URWRNZNXYCIWGK-OYKKKHCWSA-N	441.325	5.164	50	40	IKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	409118374	PNUKJJVMGGPMTG-MFKUBSTISA-N	425.985	5.688	50	40	IKGB	
O=C(CNc1ccccc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	409388948	YJDKKYXFMZLXRE-OCSSWDANSA-N	432.527	5.405	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1F	867482	FIVWGMRZJCXSFM-UKTHLTGXSA-N	445.675	6.047	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1C	28216303	LUOSDRNJBYVQFT-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1	30817695	PEABUALTRMTMIF-YSMPRRRNSA-N	436.895	5.030	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1	33705867	RNUMPXOIXXTYNS-ATVHPVEESA-N	438.300	5.541	50	40	IKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3ccc(Cl)cc3)c3ccccc32)c1	408540796	BUQAXOFNNXEZTR-STZFKDTASA-N	426.903	6.194	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(C)cc1	408726181	QTRMLYROEKJRGT-JLPGSUDCSA-N	440.543	6.081	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	408746540	ZXOWGMKXAVFYNM-RVDMUPIBSA-N	437.839	5.453	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	408818857	ZCBBDARANFGYEJ-MTJSOVHGSA-N	433.939	5.288	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1	408873380	QCNAUXJAFANDQD-KGENOOAVSA-N	435.354	6.692	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409044573	VZGKFMQPPOWFGG-VCHYOVAHSA-N	425.271	6.545	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1	409136350	YSNLIBDJWDGQRF-NRFANRHFSA-N	441.314	5.387	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409255356	JSDYDFZWHMDCLZ-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2cccc(Br)c2)c1	2322529	PGBSATNJMGDXHA-JEWPKMHUSA-N	447.376	5.522	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1	8781196	CMAVVJGHMSZSAE-WQRHYEAKSA-N	449.894	5.000	50	40	IKGB	
O=C(NNc1nc2c(Cl)cccc2s1)c1cc(-c2cccs2)nc2ccccc12	9381785	FWAVTYNFXGPKRO-UHFFFAOYSA-N	436.949	5.983	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	35518307	VIIUDOCSSQXBLA-PTNGSMBKSA-N	444.472	5.212	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccccc1Cl	59921935	NMMMSNDZDRGFFK-WPWMEQJKSA-N	436.939	5.401	50	40	IKGB	
CCS/C=C(/NC(=O)C(C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97947593	ZTOLZSOFFAMCNQ-DAFNUICNSA-O	448.592	5.695	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(C)c1	408733809	AEAWCAVEDHPJIV-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1Cl	408735090	NSWIIXKXRYLLKL-HYARGMPZSA-N	439.946	6.755	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1	408856130	JCXNLTSGYGYRLK-KGENOOAVSA-N	430.479	5.576	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1ccccc1F	408874703	FLSARMMOGALTAM-RGVLZGJSSA-N	434.898	5.933	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc2ccccc12	408926713	XPJRXXZJXNLIRR-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1	409083651	TZZNIYZFCZAEPH-BOPFTXTBSA-N	444.403	5.149	50	40	IKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409313034	BAOVPOFKTQFLBF-HNNXBMFYSA-N	435.401	5.987	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	409356249	GGCXGSIKLXEWJJ-MUFRIFMGSA-N	427.479	5.120	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2cccc3ccccc23)cc1	2077079	FQKNHWPVLJAJME-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc2c1CC[C@@H](C)C2	2670702	FFGBUAPTKUBPKZ-NISQSXRWSA-N	444.556	5.748	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)c(C)c1	2807580	DWNNTJCFYAQBLY-LPYMAVHISA-N	435.527	6.218	50	40	IKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2C(C)C)cc1	3216152	PPIIDUVEZIGJBH-RDRPBHBLSA-N	443.591	5.674	50	40	IKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1	5261251	WEBDRBYBJGHYHG-VFCFBJKWSA-N	429.564	5.509	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl	8812085	JVZQYOITPAFJHT-RPPGKUMJSA-N	447.293	5.484	50	40	IKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1c(F)cccc1Cl	9693318	OUPLCBHYEIEVBR-CQSZACIVSA-N	434.323	5.352	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1	9934808	WHKDTYMHDUMNPS-HOEVZMQCSA-N	437.503	5.831	50	40	IKGB	
C[C@@H](Cl)C(=O)Nc1nc(Br)sc1Cc1cc(Cl)ccc1Cl	13131773	FEFNBJFBYLDHBZ-ZCFIWIBFSA-N	428.566	5.369	50	40	IKGB	
N#CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)ccc1Cl	13388171	QDGQGEINNPZBFC-PTNGSMBKSA-N	428.835	5.221	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC	33783682	LEXBSNRJUNEEON-MOSLJXCSSA-N	429.731	5.597	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc2ccccc12	39884783	MKRRDEPUDOFPCS-NBVRZTHBSA-N	443.300	6.408	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1O	57398324	NQGSKFIIUPIRNC-QPEQYQDCSA-N	435.705	5.061	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCc1cccc(Cl)c1	169878437	WDAUEVSBKMAJFO-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408566525	AIMUSBGBWUPRJU-AISSWFOISA-N	444.304	5.715	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1	408725209	IOAOXQRDZBKEAN-STZFKDTASA-N	446.934	6.036	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1	408754841	LMCOTCNXJREONP-ZROIWOOFSA-N	441.712	6.217	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2ccccc2c1	408881035	LUHSUBNYAKXKJW-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1	408889728	GIRCUXGCTQLVRL-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)CNc2ccc(C)c(C)c2)cc1	409118145	PAYPOSWPLOJINO-WGARJPEWSA-N	448.548	5.233	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2C)cc1	409187547	RSRRHNUOCSYMNM-UUYOSTAYSA-N	435.531	5.501	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	948704	SPDVVVQQNPMVAA-JLHYYAGUSA-N	441.270	5.586	50	40	IKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	9327494	HWIXEHDNWUIRRU-RVDMUPIBSA-N	444.343	6.270	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	13165461	MUGYLABYSLPCCR-DEOSSOPVSA-N	431.605	6.335	50	40	IKGB	
C=CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)ccc1Cl	13615674	ZATBFZHNAFOPTK-FOWTUZBSSA-N	429.863	5.883	50	40	IKGB	
COc1ccc(N2C(S)=C(C#N)C(=N)N[C@@H]2c2ccc(-c3cccc(Cl)c3)o2)cc1	19911621	JDCQSYAKISOXCZ-NRFANRHFSA-N	436.924	5.359	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	33684390	PRUABBMKWRVHBV-HMAPJEAMSA-N	448.317	5.080	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1	58871246	HIXNTIVZNAZAOH-WPWMEQJKSA-N	436.939	5.401	50	40	IKGB	
CC(C)(C)c1cc([PH](=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1	100231795	HVDRQGAYNYKSCS-UHFFFAOYSA-N	426.625	7.387	50	40	IKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc1	104140387	PVOISOLHJRYIRD-DEOSSOPVSA-N	449.019	7.666	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1	408548028	CAXQRVMBNKIIAF-MXAYSNPKSA-N	439.942	7.453	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC	408581597	JIFDVBBMHYIECW-LICLKQGHSA-N	446.341	5.718	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408885041	WPJSKPKANDHOSK-LDADJPATSA-N	441.745	6.783	50	40	IKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1	408948247	QZBIHTIGAOMVPJ-ODLFYWEKSA-N	447.922	5.608	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1nc2ccccc2[nH]1	409049026	VPBLQUBJOYLSCG-CXUHLZMHSA-N	438.289	6.652	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Cl)cc1	409239450	MUYQHVAYBWVGAC-WKIKZPBSSA-N	445.321	5.713	50	40	IKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1	409367504	CEFDTPOONORXPR-NBVRZTHBSA-N	435.264	5.521	50	40	IKGB	
CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1	3089778	ABIZOVUWPGCGEH-LFVJCYFKSA-N	444.373	5.512	50	40	IKGB	
N#C/C(=C\c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4182063	XYNIPSIKSBTUOX-XDJHFCHBSA-N	431.404	5.025	50	40	IKGB	
O=[N+]([O-])c1cc2c(cc1[C@H](Cl)[C@H](Cl)c1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2	4235274	CJLRAVOKFQHUCE-CIAFKFPVSA-N	429.303	6.055	50	40	IKGB	biogenic
CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1c(F)cccc1Cl	8722491	HALRVNIGEHTKDZ-MDWZMJQESA-N	438.680	5.291	50	40	IKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OCC)c(OC)c3)cs2)cc1	10232887	IAYBVACGSULVJC-KNTRCKAVSA-N	449.576	6.373	50	40	IKGB	
O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1ccc(Br)cc1	16157665	RFHQPHJZYSGKPK-CFRMEGHHSA-N	443.728	5.163	50	40	IKGB	
CC/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1	16577086	YXVAHTYFDCPCBO-YYADALCUSA-N	427.331	5.970	50	40	IKGB	
CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OC	33370825	RKNOHOWWVHTTCB-HAHDFKILSA-N	433.346	5.181	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	223168897	BCXXEOSBJAHJFE-QNGOZBTKSA-N	437.465	5.379	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OC	408541957	GDIIASDVNPEATI-OVCLIPMQSA-N	426.314	5.414	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)c(Cl)c1	408585494	GAZIKUROCJKQGG-IUXPMGMMSA-N	449.164	7.943	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC	408851731	NEDXCRKIBMUFNI-COEJQBHMSA-N	449.554	5.954	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl	408926223	LPIDIVAERLCVDO-PXLXIMEGSA-N	439.946	5.875	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCCC	409073678	WWCAGAYUJKHEDA-LDADJPATSA-N	444.453	5.777	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1	409212158	PQDVRTFEMNVFMS-NDENLUEZSA-N	434.879	6.290	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4081828	CWKCYJBEHLVBIX-DHRITJCHSA-N	441.619	5.994	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C)c1	20194780	YNSSYTYWAISZAG-LGJNPRDNSA-N	428.363	5.711	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1	33788241	HQURUNHLPSLBJT-XNTDXEJSSA-N	435.486	6.130	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	59292026	NDHMYODMEPRARA-LICLKQGHSA-N	443.341	5.409	50	40	IKGB	
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@]12CC[C@H](C[C@@H]1Br)C2	89878637	IIAWWHLXTZIUND-ZINOCKGTSA-N	431.355	5.126	50	40	IKGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1	107971973	NTPPNRXOVGZIBO-BOPFTXTBSA-N	449.869	5.042	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccc(Cl)cc1	108215301	XXPPNYZFPDTAJU-STZFKDTASA-N	433.910	6.859	50	40	IKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1	408530049	KWWBORAZOFENCF-XODNFHPESA-N	429.442	5.208	50	40	IKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408537059	CASRKTQJSOSPNE-HEHNFIMWSA-N	436.552	5.989	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	408539448	HTVXGLOKOYEPAB-QGOAFFKASA-N	429.314	6.381	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	408579265	FPENKHANFGPYRB-SFQUDFHCSA-N	430.312	5.825	50	40	IKGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(O)O2	408730755	HPIXPTITFRQTFC-SANMLTNESA-N	429.479	6.305	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC)cc1	408799596	ZZRWRUPWUDWYJM-OQLLNIDSSA-N	433.291	5.114	50	40	IKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1	409130145	WDXPJEREXWXGSN-RTMGKINMSA-N	431.561	5.268	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)cc2c1	409188030	WLGKLIXIIKZDAB-VYYCAZPPSA-N	449.938	5.965	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	2274162	NYIIOYVAEPGWBL-RCCKNPSSSA-N	439.946	6.451	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	12555867	YUYONOQWQHSEDV-DHZHZOJOSA-N	444.230	5.413	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2	17167028	NWLZTAJOUXFCRI-VYYCAZPPSA-N	442.544	5.416	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1-n1cccc1	33958933	LBWHSNPPTXKULS-TWKHWXDSSA-N	445.522	5.973	50	40	IKGB	
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](Cl)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	123213011	UDTZSJGXTVVSNB-VKROHFNGSA-N	433.076	6.960	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3Br)cc2[C@H](C)CC1(C)C	208321202	WBJNRDVQJQFAEV-FRQJIFLKSA-N	442.401	5.634	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21	208471622	UEZMVMGICXYDKF-PXNMLYILSA-N	426.347	6.171	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)c(C)c1	408870623	WEAOOWLPVDSUGZ-FYJGNVAPSA-N	435.354	6.747	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1Cl	408981291	AMGRREUALWCXGQ-STZFKDTASA-N	439.946	6.506	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccccc1Cl	408995787	DSXKJSNXGIAXEA-SRZZPIQSSA-N	435.730	5.611	50	40	IKGB	
COc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	409264517	KRDYSTXACQOPHN-JFLMPSFJSA-N	431.923	5.424	50	40	IKGB	
Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1Cl	650858	SAEMEDCZTTUYFT-HXUWFJFHSA-N	444.915	5.243	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1	1738230	HXINKTDOTMMLSI-LSDHHAIUSA-N	447.554	5.187	50	40	IKGB	
O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1	20243991	MSPVBQTYGIQINB-TURZUDJPSA-N	438.552	6.535	50	40	IKGB	
CCCCCOc1ccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)cc1	32920991	CONZPPLWZMULCC-USHMODERSA-N	443.547	5.580	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OC	59116946	VGWKBSJJSAWEGX-JYRVWZFOSA-N	435.705	5.055	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCc1ccccc1Cl	59922181	MJCOHINTCCPSBD-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1	197816306	QCWYMCOVKFYXCE-HIXSDJFHSA-N	441.918	5.420	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)c1cccc(Br)c1)[C@H](C)CC(C)(C)N2C(C)C	223596925	AKLKZTIQYFLAOG-UTYYKHSJSA-N	437.425	7.322	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1	408745718	VBZYKWZTDWNGOF-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C	408968280	XTPXFLBPMWEWHV-MTJSOVHGSA-N	440.934	6.150	50	40	IKGB	
COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)[nH]c4c(C)cccc34)c3ccccc3n2)cc1	409034839	OOJHCINSOQWHQZ-MWLSYYOVSA-N	448.526	5.772	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1	409241254	SLMCMJPGLCZMFL-QJOMJCCJSA-N	430.935	5.575	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cccc(F)c1	409393582	QWCFBWLIHJXNSG-MOSHPQCFSA-N	448.324	7.929	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3Cl)s2)cc1Cl	954303	LGKCFRRMHKGJJY-MHWRWJLKSA-N	428.344	5.895	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1	9428115	JDOBKCZKGTXUDM-RIYZIHGNSA-N	442.294	5.554	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)c1	15225842	KVZDFLINNKWZOG-MTJSOVHGSA-N	443.503	5.045	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)Sc1nc2ccccc2s1	33421993	HCYUVDBTBMKSBH-DEDYPNTBSA-N	434.973	7.185	50	40	IKGB	
Cc1ccc(C)c2c1-c1ccccc1[C@H](Br)[C@H](Br)c1ccccc1-2	68565011	VQPRVYOHAKPSEI-SZPZYZBQSA-N	442.194	7.523	50	40	IKGB	biogenic
ClC1=C(Cl)[C@]2(Cl)[C@@H]([C@@H]1Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)[C@H]1Cl	104354468	BCYGJIZALPHWRM-XKGPMUEPSA-N	442.211	6.169	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C	408590181	NYWSDKLZUDBIQG-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	408812776	MJUVTTFKRVNKTA-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	2268375	FDTARFOPNDFWGP-RLBBTWETSA-N	434.539	5.695	50	40	IKGB	
CC[C@H](C(=O)N/N=C(/C)c1ccc(NC(=O)/C=C/c2ccccc2)cc1)c1ccccc1	5953942	XDAYEKAJGCSMEV-CLKFXYEFSA-N	425.532	5.373	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	9144815	HRJKWOBCVNKXFF-JJIBRWJFSA-N	430.532	7.801	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1	9359611	USSIWPLULLTBHV-KRWDZBQOSA-N	441.318	5.390	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1cc2c(ccc3ccccc32)o1	33349292	PXDJTWBQGJGQPM-LQNQUEJISA-N	443.506	6.353	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC	59233098	BBVJVWBIVOUGSU-JQFNYASXSA-N	443.341	5.031	50	40	IKGB	
F[C@@H](OC(F)(F)F)C(F)(F)Oc1ccc(CBr)cc1Br	98210768	RJZLASBPIGDUGZ-QMMMGPOBSA-N	431.952	5.148	50	40	IKGB	
Brc1cccc(-c2nc3cc(C(Br)Br)ccc3o2)c1	216838433	ALNYUNNEVJJHMV-UHFFFAOYSA-N	445.936	6.046	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc2[C@H](C)CC1(C)C	260565688	JMGHPMKXNBFHAZ-IOFNULOHSA-N	427.976	5.370	50	40	IKGB	
Cc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1	408734265	NPODYDSXVVBNIY-MXAYSNPKSA-N	434.337	5.042	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1	408745199	QATPLFBBPISTFF-NDENLUEZSA-N	444.560	5.589	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	408771318	FMHSFRQJFSCXNM-BOPFTXTBSA-N	443.341	5.355	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1	408880583	JXDJRQJKAWNPPS-FYJGNVAPSA-N	446.934	6.036	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)cc2c1	409187242	NWTUJBXWPROFHH-NTFVMDSBSA-N	443.547	6.126	50	40	IKGB	
COc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1	409237266	HOOORTRDAZONQR-WOJGMQOQSA-N	439.437	5.667	50	40	IKGB	
CCOc1ccc(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1OCC	2650051	NKUWAGZBNLFKNY-JJIBRWJFSA-N	449.554	6.709	50	40	IKGB	
N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)c1nc2ccccc2s1	8590245	LMTKFHAUGWMQTM-FYWRMAATSA-N	440.459	5.300	50	40	IKGB	
N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)c1nc2ccccc2s1	12585677	OQEAISWFDRYFMG-CAPFRKAQSA-N	432.504	6.733	50	40	IKGB	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4	38139718	VXOZCESVZIRHCJ-KGHQQZOUSA-N	428.657	6.474	50	40	IKGB	biogenic,in-vitro
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1	39884719	LORJHMICEJCCNH-UKTHLTGXSA-N	442.258	6.016	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2	105056919	LCEJARUDUPYDHJ-OPEKNORGSA-N	443.286	5.065	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	108901391	OOSWMOQAQAEPRS-STZFKDTASA-N	444.462	6.114	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1	207156312	OXMMWWCBSMCQLS-ORQKMDSUSA-N	426.516	5.367	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc21	208247373	PWIVJLDHXCCICV-SSGLAOATSA-N	433.983	5.908	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3Cl)[nH]c2cc1C	408544186	SRBRZMUVZGMVDN-YBFXNURJSA-N	448.353	7.130	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1nc2ccc(F)cc2[nH]1	408568515	KCQVQDJWGPIQTC-BOPFTXTBSA-N	448.295	6.108	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2F)o1)c1nc2ccc(F)cc2[nH]1	408568813	LEWMRNANUCYMBP-XFFZJAGNSA-N	426.220	5.928	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1Cl	408586053	BCWBFPNSVUBPME-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c1	408604139	SWTZTEBVURHIKJ-UYRXBGFRSA-N	434.898	6.221	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408793840	QHAVFHLCJQXUMC-LICLKQGHSA-N	439.298	5.824	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)c(C)c1	408853100	LLVIVXJSCBOTAS-OEAKJJBVSA-N	428.507	6.184	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1cc(C)cc(C)c1	408897549	XWUQAQGLTNXZQU-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(=O)[C@H]32)cc1	1254938	XQJWOLBBKLYMNY-GOTSBHOMSA-N	436.964	5.925	50	40	IKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	2669648	OINSPZBEGLKDSB-OBGWFSINSA-N	430.342	6.520	50	40	IKGB	
O=C(NN(C(=O)Nc1ccccc1)c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1	8754267	YKZFMLLOHZURFU-UHFFFAOYSA-N	448.935	5.847	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)cc2Cl)cc1	9263413	SDXJYSRDTATNJA-GRSHGNNSSA-N	448.353	7.130	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(F)cc1	32788051	AMQFELUBKCSFIM-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1-n1cccc1	59101522	ZWPZZZCKGMQPQL-WPWMEQJKSA-N	429.907	5.474	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	59245187	RANOENTVHQRWSJ-LDADJPATSA-N	440.434	5.283	50	40	IKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3F)n2)c(C)c1	100843737	MPTMCZWUGDYCGL-UVTDQMKNSA-N	428.330	6.305	50	40	IKGB	
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(S(F)(F)(F)(F)F)cc1	102083066	PRMQPJAOGKYBIZ-UHFFFAOYSA-N	447.429	5.699	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C)cc1	108923255	DWORDVXUDVOMHC-MYYYXRDXSA-N	448.522	6.239	50	40	IKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1	220922814	ZWJUWCGVRMHETE-NVXWUHKLSA-N	437.656	5.293	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1	408801510	UHCCYUKHMYSGAI-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2cccc(Cl)c2)c1	408869455	POJJQGFFJXWOCB-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408880678	GTEOYTIEGHLCDC-RCCKNPSSSA-N	440.905	6.769	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)cc1	408886210	FICGYKYQRWGONY-XQNSMLJCSA-N	440.499	5.296	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1	408891458	QVBXSZIWBKCPOP-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C	408965613	JHQYVAXFAAPCOX-YUMHPJSZSA-N	427.508	5.197	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Cl	409010460	FBVUKZPMJDPZGV-ZQZJVFIWSA-N	436.939	5.713	50	40	IKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409035332	JPPYFTQIDFOBEU-WGOQTCKBSA-N	442.544	5.716	50	40	IKGB	
C=CCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cc(C)ccc21	409043729	ZIEDRAAZPLELRT-JVWAILMASA-N	427.573	5.840	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	409117991	PRVMSBRLNWZBFN-MJDKSPQASA-N	425.985	5.687	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1OCC	409325738	ALIAUEVDAMMWBW-QRQIAZFYSA-N	448.494	5.132	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)s1	703639	QCDVNSSZIKWJDA-LJQANCHMSA-N	445.371	6.173	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@H](Br)c1ccccc1	1669529	MMOWIUFXIYZUMS-KBPBESRZSA-N	446.964	5.532	50	40	IKGB	
O=C(N/N=C(\c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1	3666760	ZHMIXEYRSLJLTI-ZZIIXHQDSA-N	435.930	5.652	50	40	IKGB	
O=C(N/N=C/C(Br)=C\c1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	8386397	VRFCKDWJKQTDKQ-NBMOMKJDSA-N	445.360	5.531	50	40	IKGB	
CC/C=N/NC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1	8711743	QAXLPMNVYWBBCE-YCPBAFNGSA-N	443.454	5.293	50	40	IKGB	
O=C(CCl)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1	8754846	LTQCHMOWXWTMRS-UHFFFAOYSA-N	429.332	5.494	50	40	IKGB	
CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1	8783230	LEGFQNKPAFSAES-KNYRIAMHSA-N	432.514	6.566	50	40	IKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)cc1Cl	9693162	SFMPKSDVEZXKJS-INIZCTEOSA-N	430.360	5.521	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)c1	33497549	GMOLMSWADADWFF-DISPHTKASA-N	428.916	5.470	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1	33529334	HJMQENIYQRJKAB-YVLHZVERSA-N	428.290	6.784	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1cccc2ccccc12	33707520	RMNSCIHBOYYDHY-QRQIAZFYSA-N	440.499	5.287	50	40	IKGB	
COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1	33783411	QNUOJCMDZSYGQT-YUMHPJSZSA-N	443.503	5.039	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1Cl	59417833	MNUGTRSLDLOWOP-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(Br)c1	59517280	HMLZEGJEEGBMPU-SRZZPIQSSA-N	435.730	5.611	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c(C)c1	102927613	SYCCNBGYAAWDBK-QFIPXVFZSA-N	433.533	5.538	50	40	IKGB	
FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528858	GVURTXCOVIBYAB-UWTATZPHSA-N	441.981	5.211	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408809956	HVVBAFOPBXWVJD-SAPNQHFASA-N	435.321	5.937	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCc1ccccc1Cl	408887737	STLWGNZHWVMLOZ-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1	408894513	IKNGITSLFKLTFL-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)c2)cc1	408896492	NWBLOMHCDCPVCI-CPNJWEJPSA-N	446.890	5.422	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccco1	409369387	LVYJYCCBYFQXIN-SSDVNMTOSA-N	433.689	5.038	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C)cc1	4182076	ZBFMHFXUXQVSAJ-CJLVFECKSA-N	444.487	5.824	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1c[nH]c2ccc(Br)cc12	9846054	OKXQCVCNAFUBCN-VULFUBBASA-N	448.320	5.127	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	13959029	BINHQVUOSLFQKH-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
N#C/C(=C\c1ccco1)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1	19898779	SFXQDAFTVQTXCE-GHRIWEEISA-N	431.904	6.373	50	40	IKGB	
COc1ccc(N2C(S)=C(C#N)C(=N)N[C@H]2c2ccc(-c3cccc(Cl)c3)o2)cc1	19911623	JDCQSYAKISOXCZ-OAQYLSRUSA-N	436.924	5.359	50	40	IKGB	
CCCC[C@@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682088	YOEXYNDIPQDOLJ-RNFRBKRXSA-N	430.092	5.839	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc(CS[C@]3(c4ccccc4)C=NN=N3)cs2)ccc1O	96183019	DWEFKGLKCUBMRB-BPNKPRMTSA-N	431.546	5.759	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3cccc(C#N)c3)c3ccccc23)c(C)c1	216049875	VXTZVUBBROMPOP-OCSSWDANSA-N	434.543	5.179	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)ccc1Br	408548641	KFCKUJXKEPONPW-IWIPYMOSSA-N	441.372	7.382	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1	408585769	IFJFEYONZUVUMT-HMAPJEAMSA-N	430.334	7.790	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	408711838	NDNKUOGDPCRGEX-OGLMXYFKSA-N	425.532	5.090	50	40	IKGB	
O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccnc1	408733540	ZBORODKXJZDCRN-YQYKVWLJSA-N	442.522	5.970	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1	408744359	KQWXZBCOYQIHFK-ZHZULCJRSA-N	448.364	5.965	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1	408804627	ZAOOUOCUKGTFSC-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1	408897771	TWRQPNUZBJKNCH-CJLVFECKSA-N	432.479	5.913	50	40	IKGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1	716008	ALHOJHULCNDBIA-DEOSSOPVSA-N	444.531	5.034	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1	915339	CJTZFINWKJBMSL-IBGZPJMESA-N	429.303	5.704	50	40	IKGB	
O=C1c2ccccc2OC[C@]1(Br)[C@@H](Br)c1ccc(Cl)cc1	3138102	PRYGAJKLOMAOTI-HOCLYGCPSA-N	430.523	5.185	50	40	IKGB	
CC(=O)n1cc(/C=N/NC(=O)c2ccc(NCc3ccc(Cl)cc3)cc2)c2ccccc21	4108418	NBGYVJQFHDLACJ-RWPZCVJISA-N	444.922	5.331	50	40	IKGB	
Cc1ccc(C)c(/C=C/C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c1	8762973	QCUNCZWDCZUIRX-MEGHBNGPSA-N	436.914	5.838	50	40	IKGB	
O=C(N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccc(F)cc1	8812455	KXTSEQCCQGBVTP-RWPZCVJISA-N	432.882	5.975	50	40	IKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1	38682040	ZHPUXLHSAOQYRT-QHCPKHFHSA-N	428.513	5.154	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59201137	SHAZPEGTTKYKQX-WOJGMQOQSA-N	433.851	5.373	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccccc1	59255542	YJBJDBVISPQJIX-HAVVHWLPSA-N	434.495	5.973	50	40	IKGB	
N#C/C(=C/Nc1ccc(Sc2ccccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1	100944295	ZNCUBQLPXNUMEN-RGEXLXHISA-N	427.938	5.137	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)Sc1nc2ccccc2[nH]1	408599420	UOEBIDLOMBFZSZ-XQNSMLJCSA-N	433.536	6.952	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1cccc(F)c1	408865774	FLRUMODPPZXLBS-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(F)cc1	408921500	BAAQFPGUJWBQDV-MHWRWJLKSA-N	428.294	6.086	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409003210	YNUQNIISFYXVIC-RHANQZHGSA-N	441.506	5.576	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	409263605	IHOWVWSHHLEVJP-XDHOZWIPSA-N	447.878	5.638	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccccc1Cl	409392025	NBMZWVGIXPXYJY-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
N#CC(C#N)=C1C=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21	685944494	KDEDJPUBIPWPJR-UHFFFAOYSA-N	428.539	5.249	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1	713612	APMXXGHLMRSNKO-OAQYLSRUSA-N	439.437	5.019	50	40	IKGB	
O=C(N/N=C(/c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)o1	8951954	ZTVGEDLLUACYNK-FAJYDZGRSA-N	434.417	6.148	50	40	IKGB	
O=C(NNC(=O)c1cc(-c2ccc(Br)cc2)cc2ccccc12)c1ccccc1	9871314	KEDWCLUFQYCUII-UHFFFAOYSA-N	445.316	5.344	50	40	IKGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1cc(-c3cccs3)nc3ccccc13)CCC2	33042782	XNYLJXASEGDZMH-WEMUOSSPSA-N	425.557	6.051	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c(OC)c1	33409070	XSEDVTVQAQDDKG-OGLMXYFKSA-N	440.499	5.200	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	39884698	HRDLKDZYEIXCSR-GXDHUFHOSA-N	438.237	5.163	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1	59435256	MVZMBHMQUUOQBZ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CC(C)OC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	100643109	MDYNAISQMAPIEG-FQEVSTJZSA-N	444.984	5.090	50	40	IKGB	
c1ccc([PH](Cc2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1	103843699	LMABNUFTNLVKFV-UHFFFAOYSA-N	442.542	6.484	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C	223167286	RYHJEXISAYSDRI-UNOMPAQXSA-N	438.358	6.563	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)ccc1Cl	252478813	AVKQSLUXJLXBHF-SFQUDFHCSA-N	434.879	5.631	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1	408528540	HVIKSZOVQCUGJG-PTNGSMBKSA-N	429.111	6.536	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1OC	408580011	MNPJTRUFNLRLMU-PXLXIMEGSA-N	439.486	6.639	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)nn2-c2cccc(C)c2)cc1	408724007	CELVOVYMALZWNZ-JVWAILMASA-N	428.923	5.573	50	40	IKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2n1Cc1ccc(Cl)cc1	408730430	QUOJXLMDSYLZEN-FOWTUZBSSA-N	438.745	7.109	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)c1	408745205	QDOAIQILUKNHGD-ODLFYWEKSA-N	433.895	5.300	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1C	408773868	MRDFPYGKGXDFQB-XKZIYDEJSA-N	426.472	5.126	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	408776059	SZHGKPVHTWGJEV-ULJHMMPZSA-N	432.523	6.581	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1C	408790713	XVVXEAOGKZJMGQ-OEAKJJBVSA-N	430.511	5.724	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408790992	ZWMFXAYZTJBZKM-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc2ncccc2c1	408967824	VCHQQEMWLGPJGN-LQNQUEJISA-N	448.526	5.325	50	40	IKGB	
CCOc1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1	408974058	WPABGIJBILCTDD-AFPJDJCSSA-N	427.740	6.024	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F	409052480	HZNOSMFOWOFBAU-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	409255136	KNJFTVUYMBNKGD-XDHOZWIPSA-N	447.878	5.638	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1	713611	APMXXGHLMRSNKO-NRFANRHFSA-N	439.437	5.019	50	40	IKGB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	10039672	PILPGWLSQHQITD-SCRDLHCBSA-N	448.394	5.196	50	40	IKGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12	16492667	GUFATFXJDDNQSA-AFUMVMLFSA-N	446.304	5.134	50	40	IKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1	58926661	CEECOYDFZDGVOH-MZJWZYIUSA-N	433.621	5.711	50	40	IKGB	
Cc1cc(C)c2ccccc2c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102919920	VWMDETUEROZNFY-UHFFFAOYSA-N	431.539	6.951	50	40	IKGB	
O=C1c2cccc(SBr)c2C(=O)c2cccc(SBr)c21	104123248	NJDDSVZCJOLVLI-UHFFFAOYSA-N	430.142	5.266	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2[C@@H](C)CC1(C)C	223543265	PRCRLVVWCCJBIM-WEPAEKJRSA-N	432.395	6.258	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)c1	408744972	OGLWTATXTRYOTA-HMAPJEAMSA-N	427.504	5.125	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c3ccccc23)cc1	408771845	KOKZAFYABXEAKJ-NKFKGCMQSA-N	448.522	6.363	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)c1	408802848	IEJZBCIFYPXKNA-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1	408814186	QLPTYHWUGXDHNP-ODLFYWEKSA-N	437.902	5.119	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(C)C	408818416	VJWDZEXVABSCEA-AWNIVKPZSA-N	439.726	5.988	50	40	IKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408910136	FVVXBQZUVDEDJO-CCVNUDIWSA-N	445.950	5.489	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C)c1	409005099	CNNAEESXSOLTNN-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(Cl)c1	409053706	ONOLPILOBOZOPD-OPEKNORGSA-N	434.754	6.127	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	1082991	ZQVVUHUEPBSDCY-UNOMPAQXSA-N	433.895	5.300	50	40	IKGB	
O=C(N/N=C/c1ccc(O)cc1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2315547	XNRIDFYSTGXNRY-ODDBZWQPSA-N	425.315	5.155	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	3236838	JYQOHSBKRTUDND-YBFXNURJSA-N	432.863	5.163	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1cccs1	8454667	NJVNXSYGYKGALT-QUPMIFSKSA-N	441.600	6.805	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1	9187133	YKKORTLONQFDEE-CPNJWEJPSA-N	440.459	5.513	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	9323076	KRBADUGXFWEKSO-JBBSTVMTSA-N	428.838	5.309	50	40	IKGB	
CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	15081966	PIHHHBMLIZXNDM-LJQANCHMSA-N	428.400	5.268	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)C(c1ccccc1)c1ccccc1	40570801	BONVXXMWQAWYCU-AJBULDERSA-N	443.550	5.972	50	40	IKGB	
Br[C@@H]1[C@H](c2ccccc2)CSc2n(-c3ccccc3)c(-c3ccccc3)n[n+]21	54361222	UREOWADHCIIHKL-SFTDATJTSA-N	449.397	5.610	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c3ccccc32)c1	208457384	QRSVDFOPCMQPPG-MNDYBZJGSA-N	449.476	5.710	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	408526136	ADJQWIOPTRZTEZ-UVHMKAGCSA-N	442.346	5.443	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C	408801994	XQLXVHUYDNLYQW-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	408810804	UVOFPYDIDDQMTE-GZTJUZNOSA-N	439.298	5.824	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccccc1F	408815159	IPHZKEXBRWZHHI-KQWNVCNZSA-N	445.497	6.528	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1	408900223	UFXJFSAFHLWMEO-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(Cl)cc1	408924585	NAYVIWSKUZZTMO-MHWRWJLKSA-N	444.749	6.600	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1	409043647	SOTIJGHHWSWKNS-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	2743913	GDQCCDMFJBQNJI-CPNJWEJPSA-N	445.444	6.254	50	40	IKGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)cc2)n1	8825471	PXVBYFYXVOUTNK-RPPGKUMJSA-N	444.482	5.168	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1	9311029	RIQRGSBIOYLFGK-HMAPJEAMSA-N	446.934	5.541	50	40	IKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1	9693571	SNEHIXYKJYSJOG-INIZCTEOSA-N	444.387	5.775	50	40	IKGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1	15938797	KNGBNMLKACVNOV-XHLNEMQHSA-N	426.560	5.511	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)cc1	19630873	VKRLUSQDKWBGMP-BKUYFWCQSA-N	439.946	6.506	50	40	IKGB	
CC(C)c1cc(Br)cc2sc(NC(=O)[C@@H](Br)C(C)C)nc12	20133398	JCDUVSBHOTZNCV-LBPRGKRZSA-N	434.197	5.540	50	40	IKGB	
O=C(CNc1ccccc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	58835147	BFPDZXLWBLTNNJ-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
c1ccc(-c2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104111296	NXARCUULYLCGQQ-UHFFFAOYSA-N	429.503	7.163	50	40	IKGB	
Br[C@H]1C=C(c2ccccc2)[C@H]2C[C@H]1C(c1ccccc1)=C[C@@H]2Br	169795582	GZMSWWLYOVNSKV-WOZUAGRISA-N	430.183	6.330	50	40	IKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	226327463	DGLSLVUCAQUZAQ-UHFFFAOYSA-N	438.532	6.113	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2Br)c1	408540968	AEKFZKPUVYHWKP-MTJSOVHGSA-N	448.316	6.099	50	40	IKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)Cn1cnc2ccccc21	408691640	JTEIXOYIOSAHLZ-ZDLGFXPLSA-N	434.326	6.529	50	40	IKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408857739	MDEDQMKSHBWGKP-LQKURTRISA-N	444.918	5.601	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc2ccccc2s1	409014979	QTCREZIXTMQCTQ-OYKKKHCWSA-N	435.574	5.481	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1	409055918	QKIFTYNNKPBDEG-LGJNPRDNSA-N	426.875	5.139	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl	409211942	OROXJLNBUAYQJP-ZHZULCJRSA-N	427.891	6.624	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1O[C@H](C)CC	409251715	VVXKNFDJRHSGLD-KKQVRFOCSA-N	426.944	5.700	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c1	409258152	UBJCXHQUUOAAPU-HYARGMPZSA-N	439.515	5.175	50	40	IKGB	
O=C(CNc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	409374900	BFVPTFSXFYSXMR-LGJNPRDNSA-N	428.319	5.135	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(C)cc4Br)o3)[nH]c2c1	409391418	JFZGCZJFCCSBIN-GXDHUFHOSA-N	434.293	5.967	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1	1787153	SWPILKYGJJOGJD-SFQUDFHCSA-N	436.920	5.791	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccs1	2252194	UCWNACWGSRQFGF-BHGWPJFGSA-N	428.344	5.822	50	40	IKGB	
CCCc1ccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)cc1	2767161	JGKJMIVYKGREIJ-UHFFFAOYSA-N	430.552	5.131	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1	16411155	USBQAGMIBMHBNL-JLHYYAGUSA-N	438.237	5.163	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	19644270	WZXVKODUXNXSGD-LDADJPATSA-N	446.337	6.542	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	34689720	QUHQGZNIFPFSOH-MHWRWJLKSA-N	431.286	5.609	50	40	IKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)c1nc2ccccc2s1	57460514	ZOFHILQUHXVOEL-YHYXMXQVSA-N	436.128	5.591	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1	107903719	YFGMAUTZJFCRBF-LQKURTRISA-N	429.951	5.653	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC	207831871	ZOWUNHWAOOXHDQ-YVLHZVERSA-N	443.341	5.409	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	408745911	WIRJIKHPZNWKSG-KAMYIIQDSA-N	437.839	5.453	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc(C)c(C)c2)c1	408806573	FNJKFMMFKSOAPV-FYJGNVAPSA-N	428.488	5.142	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccc(F)c1	408891947	WEJXFRZICJUPBS-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	408997746	SPRMBTNFMUHRBA-DICXZTSXSA-N	425.488	5.018	50	40	IKGB	
CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1058586	CFNYZXCZVARNKP-DEOSSOPVSA-N	427.548	5.198	50	40	IKGB	
N#CC(C(=O)CSc1ncnc2scc(-c3ccccc3)c12)=C1Nc2ccccc2N1	9120031	OVPJSWKMYKJPBT-UHFFFAOYSA-N	441.541	5.292	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	11853135	XZPAGDYYTWKJAU-RAXLEYEMSA-N	435.858	6.467	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	16678479	MHCDOQKNOACMSM-WPWMEQJKSA-N	429.589	5.486	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	33439032	LMMZKHHWYSQDAH-AFUMVMLFSA-N	436.920	6.010	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)c1	33711625	OEWFXNLERKZDPD-KGENOOAVSA-N	436.515	5.570	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1O	57537410	ZSONATZTAYOSPL-MHWRWJLKSA-N	437.293	5.252	50	40	IKGB	
COc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	59435296	DUZOOAIRVLMRTP-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21	223480278	CSLVMPVPLHSMDG-FDVSRXAVSA-N	443.513	5.809	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	408540035	MBVZCGIXURNHFM-QRVIBDJDSA-N	438.311	5.625	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(N2CCCC2)cc1	408676597	LGGJMWOHTQCYJI-TWKHWXDSSA-N	449.554	5.783	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	408735495	SWNQAKBMFGRXBK-UDWIEESQSA-N	432.907	5.782	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408858174	QHMUDPSZHFGWSW-CFRMEGHHSA-N	437.293	5.511	50	40	IKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1ccccc1	409049254	VYTWSHQRIXKUJA-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	409222824	DEMSASBZMDXECM-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OCC	409321284	SRWSABNAQCJQOC-CPNJWEJPSA-N	432.317	6.077	50	40	IKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1	1050868	FIJYHUVJIGZUMC-XODNFHPESA-N	434.421	5.111	50	40	IKGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)c1	2216312	MOWPXZGYXSPJEC-KIBLKLHPSA-N	436.773	5.081	50	40	IKGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(C(C)C)cc1Cl	3217559	SJCYWEAWEWWHLU-UHFFFAOYSA-N	436.939	5.279	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	11288385	QQBDJZRLOWPLQU-NTEUORMPSA-N	447.716	5.222	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccccc1F	11990323	XCHOAENZPKUOMJ-CPNJWEJPSA-N	430.504	6.477	50	40	IKGB	
COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)ccc1O	13322308	LZEFYOTYDFFTIW-OGLMXYFKSA-N	425.488	5.078	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc([N+](=O)[O-])c1O	13658859	PAQUVSKCGBUSKP-LSCVHKIXSA-N	429.457	5.650	50	40	IKGB	
C/C(=N/NC(=O)[C@@H]1CC1(c1cccc(C)c1)c1cccc(C)c1)c1cccc2ccccc12	15133870	RXOOYYHEWGFSCP-USUHSNIBSA-N	432.567	6.303	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(Cl)cc1	34888237	WKZYRADMTNYFKY-JCMHNJIXSA-N	447.937	7.249	50	40	IKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	58927806	NASVORPHSZRHMZ-VULFUBBASA-N	438.980	5.611	50	40	IKGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)Nc1ccc(Br)c(C)c1	96471972	SQDDHCDKJHTZST-OYKKKHCWSA-N	438.325	5.631	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1	108984580	NBXDQOXXDJRJFF-AFUMVMLFSA-N	429.432	5.089	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3F)o2)cc1	252507346	WIWMPZIVTRYXSV-RVDMUPIBSA-N	439.284	5.956	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1OC	408581503	XLAKDBIHESAZBJ-LZYBPNLTSA-N	432.314	5.326	50	40	IKGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)c1	408707347	JFZCOXWFGCRXGP-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1	408718767	HDKZOZKCHZOFGO-VDLLGECUSA-N	440.971	5.594	50	40	IKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408810367	KIEGKFZMHWESOZ-UKOFFBAASA-N	443.374	6.174	50	40	IKGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408875783	HRKNENIPMFKBDM-AUEPDCJTSA-N	446.363	5.182	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1C	409236074	RPJYEDPZRUQFRT-OJSPLJLUSA-N	433.939	5.541	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccccc1C	4196620	FAPVSSUIQOJMNQ-JWGURIENSA-N	444.487	5.824	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc4ccccc34)CC(=O)N2)c1C	9010421	GBCONGBFHFEEAN-OAQYLSRUSA-N	441.556	5.167	50	40	IKGB	
COc1cc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(OC)cc1Cl	9334972	RUBZOPCURKZVPU-WJDWOHSUSA-N	425.941	6.074	50	40	IKGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1	13388185	XQGHYDAGNGWOBQ-NTFVMDSBSA-N	449.514	5.209	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	13811575	HYOVYMPIMZAZGJ-ACAGNQJTSA-N	441.295	5.993	50	40	IKGB	
CC(C)c1ccc([C@H](Nc2ccccc2C(=O)O)[C@H](SC#N)C(=O)c2ccccc2)cc1	16575834	PIGTUCSJJLFITI-ZCYQVOJMSA-N	444.556	6.127	50	40	IKGB	
Cc1cc(NC(=O)c2ccc(CCl)cc2)ccc1Nc1nccc(-c2cccnc2)n1	65739309	WWUHMRAFZSYAQR-UHFFFAOYSA-N	429.911	5.582	50	40	IKGB	in-vitro
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1	104085816	PLLRXLIIPSUGDW-OAQYLSRUSA-N	433.533	5.538	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1	408741496	JGPJQYMBPAAOMA-HYARGMPZSA-N	427.504	5.043	50	40	IKGB	
N#C/C(=C\c1ccc(I)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408799067	XTJGGHLARPZJRQ-YRNVUSSQSA-N	443.071	5.144	50	40	IKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408899261	OSJLYSRWWOABRO-NTEUORMPSA-N	433.295	5.293	50	40	IKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408912320	NBTZVFRTYHVIJK-STBIYBPSSA-N	438.527	5.565	50	40	IKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1	408915067	UJZBIRPDKWWSFB-UUYOSTAYSA-N	444.354	5.966	50	40	IKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409047174	NHPSEVUKJJUZNG-WIIRJQBJSA-N	431.363	5.849	50	40	IKGB	
O=C(c1ccccc1[N+](=O)[O-])[C@@H](Br)[C@@H](Br)c1ccccc1Cl	1745303	WFMPBHSYBWGRIW-KBPBESRZSA-N	447.510	5.331	50	40	IKGB	
COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	2288653	QCXUAPUBYGKNGR-XFXZXTDPSA-N	436.751	6.755	50	40	IKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)cc1	2801967	VKRLUSQDKWBGMP-FYJGNVAPSA-N	439.946	6.506	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	9322191	OUCDKCWCLDVUPW-MHWRWJLKSA-N	429.303	5.258	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)S(=O)(=O)c1ccc(Br)cc1	16883022	LDBPEZXMUZYLFA-LFIBNONCSA-N	432.270	5.187	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1	30738526	PEFJUZUGYKELQB-PJIZFRNJSA-N	430.504	5.050	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	33609033	RSDVZIVIKRPVAB-GHRIWEEISA-N	443.341	5.572	50	40	IKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473201	GFFGCAKTETVNAY-YZSQISJMSA-N	438.980	6.185	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2ccccc2o1	103301019	NAHRMRHLNYEMIV-WGARJPEWSA-N	438.443	5.108	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3)o2)cc1	252489220	JLERYBACRSPDOH-QGOAFFKASA-N	435.321	6.126	50	40	IKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1	408540419	RNHSWJMXMDAZGR-WGARJPEWSA-N	426.866	6.082	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408578603	ABRPHLASMPNXAA-WUXMJOGZSA-N	427.125	6.227	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	408578716	AKURXEPQGKOVBR-XDHOZWIPSA-N	437.326	6.384	50	40	IKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2)cc1-c1ccc2ccccc2c1	408725993	RFUXUEFSENCSDY-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1	408763628	OJVZABIWDBPERZ-UNOMPAQXSA-N	438.358	6.509	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1Cl	408851975	OOAOEUOMBNVKSP-NTFVMDSBSA-N	444.918	6.158	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Cl)c1O	408981802	CBYJLRLAOVQZBL-VZUCSPMQSA-N	426.097	5.316	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409263742	NZHHNWFESJNEOG-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)s3)C3=C2CCCC3=O)c1	705440	OVNMHZMGZBSFHE-IBGZPJMESA-N	440.366	5.124	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	1409220	KCPSPSFHPFIQMV-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
COc1cc(/C=N/c2cccc(Br)c2)ccc1N(CCCl)CCCl	1680311	CZWUXMFGNYIXBD-LPYMAVHISA-N	430.173	5.492	50	40	IKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Br)c3)n2)cc1	2279676	CSLFLATYVWTQEK-QGOAFFKASA-N	438.394	6.748	50	40	IKGB	
CC(C)(C)c1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(C(C)(C)C)cc2)cc1	3222782	DFHAPSDYAJQNOT-UHFFFAOYSA-N	448.994	7.258	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1	3885209	LMUSDELPFRNPKF-RILPJZFCSA-N	433.766	6.355	50	40	IKGB	
C=CCc1ccc(OCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)c(OC)c1	9553740	YFBQQUAMNQZSFA-ZXVVBBHZSA-N	445.519	5.037	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3cccc(C#N)c3)ccc3ccccc23)c(C)c1	20195326	UCXGBTRFVPZTFG-FDAWAROLSA-N	447.538	5.600	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	59201995	QJBZFFVJLRWFDD-CXUHLZMHSA-N	429.314	5.019	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1Cl	59297289	JWVJUSNJTFGKJD-CXUHLZMHSA-N	431.319	5.157	50	40	IKGB	
Fc1nc(F)c(F)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1F	97951858	UNWQTORATAHOIS-UHFFFAOYSA-N	426.353	5.447	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1	207156606	CYGVWLOFXWFBGR-QAEYNFOBSA-N	440.543	5.757	50	40	IKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c1	408567230	CQBIOYBOBNDLQF-GRSHGNNSSA-N	428.467	5.269	50	40	IKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408814340	ZBXQIYFFVQOJGI-LZNAANCOSA-N	440.374	6.127	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1	408889229	BOTNXJWLEUTMHI-MTDXEUNCSA-N	438.483	5.222	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408993354	DJTGFPPFJANJEB-JFLMPSFJSA-N	431.467	5.169	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OC	409068046	FLWHLRQVDBTCLV-GZTJUZNOSA-N	430.426	5.387	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1	409229688	SWKKZJFKAQWYRM-UQRWVXEISA-N	439.946	6.127	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1	409247382	BWNFVKQADJHVHR-RGEXLXHISA-N	445.906	5.212	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1	713573	ZTFBYIVRPSOSOH-OAQYLSRUSA-N	439.437	5.019	50	40	IKGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2C2CCCCC2)cc1	2240404	BTUGMEWNHAXHND-PCLIKHOPSA-N	433.581	5.001	50	40	IKGB	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12	2759907	IQECREKXYJWHJY-WYMPLXKRSA-N	426.328	6.034	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccccc1	15231451	MVFDWMAPJWVADR-LPYMAVHISA-N	430.334	7.790	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Br)cc2s1	20132983	HYYZXPBUWYOTPB-GFCCVEGCSA-N	448.224	6.074	50	40	IKGB	
O=C(COc1ccc2ccccc2c1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1	32114529	HNDYEDFGLYAKKR-NTFVMDSBSA-N	444.918	5.601	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc2ccccc2c1	33786448	OBMWDNBJPDRJHY-JJFYIABZSA-N	448.324	7.929	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1	59116698	SPERGWQDWRMZEA-CPNJWEJPSA-N	433.305	5.574	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1	59224886	XMAFZPQDWQGBIG-UNOMPAQXSA-N	437.326	6.427	50	40	IKGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527910	REVTURCVXSGZNE-ZCFIWIBFSA-N	430.092	5.839	50	40	IKGB	
CCP(=Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)(c1ccccc1)c1ccccc1	104207481	KQJCFNNVWLEVGT-UHFFFAOYSA-N	433.576	7.491	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	408744549	FXYZXCNSPORBBL-MOSHPQCFSA-N	436.902	5.760	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1	408789392	PNTXSVNPBMBLLV-MFKUBSTISA-N	448.522	6.282	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1	408852015	PLTKKLQXEYLPGU-WOJGMQOQSA-N	436.870	5.612	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(F)cc1	408895530	NFBVBHGIGWHBNF-STBIYBPSSA-N	442.490	5.721	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c3ccccc32)c1	408994842	JWBOLVYCOQTKIR-RDRPBHBLSA-N	432.527	5.553	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2Cl)cc1	409224295	JUSAQGZGHJSNEP-MXAYSNPKSA-N	427.287	5.285	50	40	IKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc2ccccc12	409257686	UGLWOQQFRLMGIR-AFUMVMLFSA-N	428.319	5.406	50	40	IKGB	
Cc1ccc(S(=O)(=O)[C@H](c2ccccc2)[C@H](Br)C(=O)c2ccccc2)cc1	1453030	MOBBZRDDCIJOCD-IFMALSPDSA-N	443.362	5.156	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	2743914	GDQCCDMFJBQNJI-UYRXBGFRSA-N	445.444	6.254	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	9202453	KJXCLIPOGBMBIH-JVWAILMASA-N	439.471	5.399	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(Cl)c1	59116709	GNQXADOGHXFWCZ-DEDYPNTBSA-N	432.907	5.863	50	40	IKGB	
CC1(C)[C@@]2(C(=O)NN(c3ccccc3)c3ccccc3)CC[C@@]1(C)c1nc3ccccc3nc12	100920249	CHJOBZTUWJJCAQ-VMPREFPWSA-N	448.570	5.828	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	103029662	XTHCTGWVKHFPIQ-LJQANCHMSA-N	435.420	7.576	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408539532	XCAACJZXHBBOAK-SFQUDFHCSA-N	428.916	5.559	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	408734816	KGWCNSPNMFOXEN-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)c1	408744397	FGOBIDXBWPOXKF-UVTDQMKNSA-N	441.270	5.586	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc([N+](=O)[O-])c1	408750303	ZRDFBOKOXPBBRZ-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc32)c1	408800867	PWBCSSTYPXVLQW-ZVTRWTRASA-N	425.576	5.908	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408890845	HIKKUYVJCDCGCA-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)ccc1Cl	409210354	JWVMSEAKRFAJPI-WYMPLXKRSA-N	431.275	5.194	50	40	IKGB	
O=C(c1ccccc1)[C@H](Br)[C@H](Br)c1ccc(Cl)c(Cl)c1	1593669	ULEIMJGIXNHCHX-ZIAGYGMSSA-N	436.958	6.076	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1Cl	3616543	GXXJGNYSCQSDKZ-JLHYYAGUSA-N	428.231	5.707	50	40	IKGB	
N#C/C(=C\c1cccc2ccccc12)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1	12961347	YGIVWKKWTWORHS-XMHGGMMESA-N	435.508	5.199	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(OCC)c3)o2)cc1	33330021	GDENNVHJFFMWEC-XMHGGMMESA-N	430.460	5.068	50	40	IKGB	
Cc1ccccc1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	57868858	HABSHAZJQFPFKG-RWPZCVJISA-N	440.421	5.238	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)c2)cc1	408579382	GPPIGXHDFMBTRY-WOJGMQOQSA-N	437.326	6.384	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c(C)c1	408764592	JLTZSJVRZZERRL-NDENLUEZSA-N	448.364	6.019	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(Cl)cc2)c1	408804071	CNHVJNNACBXQMH-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc3ccccc3c2)cc1	408812177	CHRQQBIWLCUDDT-ONUIUJJFSA-N	448.522	5.651	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)cc1Cl	408879939	HZCWIVPPIISHSS-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CCOc1cc(C)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1C(C)C	408956131	YTJZGAGBPLNLDQ-MSXFZWOLSA-N	443.341	5.790	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C	409005600	FLSPCZPNYUKKME-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1O	409047016	SZISXIGXBVUKBS-WGARJPEWSA-N	431.879	5.033	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	409193529	FJWPWLWNUPYSTE-QMPKWXHSSA-N	425.319	5.158	50	40	IKGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)c1	409220063	TZDWKBRVCKJDTJ-NTFVMDSBSA-N	442.902	5.785	50	40	IKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409257247	PLETXLXYGJNSSJ-VYYCAZPPSA-N	449.938	5.047	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1C	1107281	VXCWSFTWXZZORN-XMMPIXPASA-N	444.531	5.034	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	2618732	OYGVQNQPAMDRLW-CXUHLZMHSA-N	447.844	5.583	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1O	9322192	NQGSKFIIUPIRNC-NTUHNPAUSA-N	435.705	5.061	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC	15018561	RABDQKPXKPDJHI-JFLMPSFJSA-N	448.906	5.967	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)cc1	28616316	PBMRGFYBVVNIMK-YUMHPJSZSA-N	434.923	5.621	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1	59336607	YHPMWOOFBMTRHA-KAMYIIQDSA-N	429.328	6.592	50	40	IKGB	
N#C/C(=C(/O)CSC(=S)N1CCC(Cc2ccccc2)CC1)c1nc2ccccc2[nH]1	101705862	AGAYPWWOURHSML-QOCHGBHMSA-N	448.617	5.328	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)C3=C(O)CCCC3=N2)cc1	104099094	QYUMVUHPAXJSGL-DEOSSOPVSA-N	443.572	5.945	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	139256206	AWPWLLLRGHWVIA-DEDYPNTBSA-N	446.478	5.276	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	205554384	KIGPDCQQJOJKGR-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1-n1cccc1	408764439	WUGPFBQPXQYQOI-ZVHZXABRSA-N	434.839	5.063	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c3ccccc32)c1	408767086	IQCOZVLNKDGHKZ-HAHDFKILSA-N	449.554	6.331	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1C	408767401	WZQBUMJGSYCARI-NDENLUEZSA-N	448.364	6.019	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408792775	CNCPXXGWVORIRA-RIYZIHGNSA-N	442.258	6.016	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)O)cc1	408795997	NVXCNGHBLSIBQR-UDWIEESQSA-N	446.890	5.471	50	40	IKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1cccc(F)c1	408804690	GPDLAKREGHYQOS-LKZQPVPRSA-N	437.518	5.922	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1Cl	408819192	ZZVPTMNMPCPNSW-ZMFRSBBQSA-N	449.894	5.044	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(C)c1OCc1ccc(F)cc1	408849233	VUZUTLBKNSDMMP-FYJGNVAPSA-N	436.324	6.848	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1ccccc1Cl	408870357	UPOZYOXLOWXVAY-XDHOZWIPSA-N	437.326	6.138	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCc1cccc2ccccc12	408890889	HZRZYJIKSFSBQF-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409022965	AEEYVCCLEHSRCM-RPPGKUMJSA-N	440.286	5.331	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	409225382	PSYPCFMHXXCSSG-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](Br)c1ccccc1	3135196	FQHGMTRVOHPTHF-ZDUSSCGKSA-N	426.154	5.799	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1	3232191	BJASTXFDYYUIOB-RCCKNPSSSA-N	426.472	5.077	50	40	IKGB	
CCCCCC(O)(CCCCC)C(=O)NN(C(=O)c1ccccc1F)c1ccccc1	4696939	FEHBTINISNKOAH-UHFFFAOYSA-N	428.548	5.395	50	40	IKGB	
C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(-c2ccccc2)cc1	9361304	QDWFRDBZXJANJI-MWAVMZGNSA-N	431.539	6.392	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)COc3ccc([C@H](C)CC)cc3)o2)cc1	10059280	XDQUVSWOUFEQMT-ZQZJVFIWSA-N	448.519	5.166	50	40	IKGB	
N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1	12062435	LHRGTZFOQROXHI-USHMODERSA-N	425.491	6.264	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1Cl	13773594	KBPBNPGQDQEFCV-GXDHUFHOSA-N	430.758	6.511	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC	33668056	JHCXKWFXXWGJGR-YVLHZVERSA-N	428.282	5.175	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc2ccccc2c1	39884800	NXZKFDKWMFQDRO-XMHGGMMESA-N	443.300	6.408	50	40	IKGB	
C(=N/Nc1ccc2ccccc2n1)\c1ccccc1P(c1ccccc1)c1ccccc1	97965293	PDAZRVNGXWHHTQ-XHLNEMQHSA-N	431.479	5.439	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(Br)c3)cc2C(C)=CC1(C)C	208516458	UPMWRNZXILJOQA-AFUMVMLFSA-N	440.385	5.543	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)cc1	408599291	SAGNGFSSOLZPSY-DEDYPNTBSA-N	428.517	5.414	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1	408724622	AJSIJRDAWGCYHO-LDADJPATSA-N	429.347	5.928	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1	408867449	MNWZLNOUVQBXKR-HMMYKYKNSA-N	447.332	5.594	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1F	408874839	BJZCFAWCOSEWPO-DEDYPNTBSA-N	449.323	6.033	50	40	IKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1c2ccccc2cc2ccccc12	3146152	VVMBLOGGSHPUJF-NDZAJKAJSA-N	430.507	6.189	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1)c1cccc(F)c1	8857214	OBRJLKWRYNNLRL-NLRVBDNBSA-N	447.557	7.790	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	10059271	YQYLDRHOBOVFJJ-FTWDSPQQSA-N	435.480	5.206	50	40	IKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1	16249939	JOISHOMOBJLTFP-MZJWZYIUSA-N	438.439	5.617	50	40	IKGB	
CCOC(=O)C1=C(C)NC(Sc2ccc(Cl)cc2)=C(C=O)[C@@H]1c1ccc(Cl)cc1	20405284	DDCYSJCRTAQJHE-FQEVSTJZSA-N	448.371	5.720	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1	44950352	ZZQAGVMIOLZDTC-LQKURTRISA-N	444.531	5.175	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1	408767670	ZRSNZKKCMYBHIO-RGEXLXHISA-N	445.906	5.212	50	40	IKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21	409218555	FXQRVGVEHQSJRL-VULFUBBASA-N	446.348	5.524	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)ccc1OC	409312079	JIDFIJRWSXTDLU-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cnn1C	1003435	KHVKGCXYOYXNOH-OPEKNORGSA-N	438.318	5.014	50	40	IKGB	
CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1	8783229	LEGFQNKPAFSAES-WHALFVPYSA-N	432.514	6.566	50	40	IKGB	
O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1	16956880	VRSKFHHEWRVOIE-UHFFFAOYSA-N	429.332	5.494	50	40	IKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1sccc1C#N	17098658	IDAIAIWWRNZCHU-LICLKQGHSA-N	433.876	5.038	50	40	IKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(OC)c(OC)c2)nc1-c1ccc(C)cc1	19898809	IKZRSQSIKPJYAX-LDADJPATSA-N	433.533	5.548	50	40	IKGB	
CCOC(=O)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102233072	YVMWCGFFCBFMCD-UHFFFAOYSA-N	425.488	5.357	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1Br	408583141	RVPNTHVHOFJZQT-RIYZIHGNSA-N	437.131	5.683	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1Cl	408708858	UWXJFTILBNVMNS-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2o1	409049760	YHUGTXBZEDOQCT-SFQUDFHCSA-N	429.863	5.563	50	40	IKGB	
O=C(N/N=C/C=C/c1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2274693	SUPUGWFFVOTITG-SFQXQNPXSA-N	425.315	5.045	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1	12564872	LMUSDELPFRNPKF-SBNGLSRPSA-N	433.766	6.355	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(C#N)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	28515397	QZPIZYGAAWNNCV-KEBDBYFISA-N	435.310	6.517	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1	33649045	CYUOUTLLPMZMCQ-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	34695288	RBRUGTSUWFUXBB-HAHDFKILSA-N	440.499	5.215	50	40	IKGB	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c2nc3n(c2n1)CCCCC3	58391383	WHYAGLDQFJYYPA-UHFFFAOYSA-N	438.746	5.183	50	40	IKGB	
COc1ccccc1OC[C@@H](CCl)S[C@@H](CCl)COc1ccccc1OC	100940370	HUAQWOFZRSLXFQ-IYBDPMFKSA-N	431.381	5.110	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OC(C)C)c(Br)c1	106375807	BGVLWEJCGZAOAB-ZMOGYAJESA-N	441.325	5.162	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1	107900676	YSUCCZVMMHRWOH-IWIPYMOSSA-N	440.499	6.365	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408743275	FLSMXWINGXGSAS-XLNRJJMWSA-N	441.575	6.336	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	408779428	WSNWOIBPSGAEHT-LQKURTRISA-N	444.966	5.919	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC	408788472	DFXSGXARVILDLW-RCCKNPSSSA-N	428.488	5.219	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc(Cl)cc2)c1	408805638	BHDFRNIJGPQBDT-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl	408935506	HNBNDZAXULFZNL-ODLFYWEKSA-N	437.326	6.427	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408984170	PXEXLWWECUHNEA-MHWRWJLKSA-N	431.319	5.811	50	40	IKGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408994035	YCXCNEKOSSZIQH-MOSHPQCFSA-N	436.939	5.886	50	40	IKGB	
N#C/C(C(=O)c1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	1439955	BBKZXAMXNJMUHF-IVYNLYIOSA-N	444.943	5.649	50	40	IKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cccc(Br)c1	2178180	WCWUBTUZZDQCMU-SRZZPIQSSA-N	430.129	5.065	50	40	IKGB	
Cc1ccc(-c2csc(N(C(=O)CCl)c3c(C(C)C)cccc3C(C)C)n2)cc1	3374671	RBZKFYYFRHXFGZ-UHFFFAOYSA-N	427.013	7.269	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)cc1	15018687	MGWVVOXEDOCTIH-LQKURTRISA-N	437.499	5.766	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccccc1F	20076728	OFFNUSVVSYQHTM-DEDYPNTBSA-N	427.479	6.052	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC	35202505	NSXPTMHOJXBUFG-VTGBELTLSA-N	439.737	5.052	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3Br)cc21	208462849	XFPAVGWKWYDNAK-WYMPLXKRSA-N	446.776	5.498	50	40	IKGB	
CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12	239165261	NUFQCYGMDGDPAI-QSWMPLQWSA-N	446.956	5.615	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	253617421	ZREFGLLKWFJLDH-JIYRNSDTSA-N	445.648	5.259	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1	408531209	LGMWISOFEYRLOU-MSXFZWOLSA-N	443.263	5.411	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1	408744974	OGPSQYXHNVBNSG-GDNBJRDFSA-N	441.712	6.217	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc([N+](=O)[O-])c(Cl)c2)c1C	408745723	VEVOGUAZKJIFPW-WQRHYEAKSA-N	434.883	5.510	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)cc1	408795250	KRAUKFXMWLNDJA-JJIBRWJFSA-N	434.495	5.973	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccc(O)cc1	408896615	SKKCGGPBQCEFPY-QGOAFFKASA-N	449.304	5.279	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1C	408927120	ZRBJRKPLRQLXOJ-XSFVSMFZSA-N	430.891	5.722	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)cc1	409023113	DPGBAHUDQYIQDI-NTFVMDSBSA-N	447.966	6.600	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)cc3)cc2c1	409187581	SCORNRXSFJUIGH-NTFVMDSBSA-N	439.471	5.046	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1	1070276	NKRULMYIQHZTTD-QFIPXVFZSA-N	434.923	5.370	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1cccc(Cl)c1Cl	4083449	WLJKCIPBKWOQHS-MHWRWJLKSA-N	430.360	5.686	50	40	IKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	8812647	CKSRMVFERMMXOI-FOKLQQMPSA-N	447.716	5.443	50	40	IKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	9882914	WATVJUBIKBTJKW-IZZDOVSWSA-N	449.275	5.088	50	40	IKGB	
O=C(N/N=C\c1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12	33383879	FRLAIMBPXZVLID-MYYYXRDXSA-N	430.305	5.428	50	40	IKGB	
C[C@H](Oc1ccc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc1)c1ccccc1	41108905	PLFMXEYFKYOWFE-AWZALFRUSA-N	425.513	6.631	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1O	59255383	QDXQWFAJDZUJDR-AWNIVKPZSA-N	435.705	5.061	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1	223165354	IBNRRNCXKQKVJA-AQTBWJFISA-N	439.437	5.667	50	40	IKGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408709007	WFRHLOSAPDOTIQ-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408759988	POTDKMITGOJSLU-GHXNOFRVSA-N	440.124	5.700	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1	408787637	CZQQVXCAUCJNJM-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C/c3cc(Cl)ccc3OCc3ccccc3Cl)[nH]c2c1	408975462	KQOOOUMDFAEOJQ-WOJGMQOQSA-N	434.326	6.821	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Sc4ccc(Cl)cc4)o3)cc2c1	409184049	HZUQBGVOJQYLPL-CFRMEGHHSA-N	440.908	5.993	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1F	409203010	VOYDHPSRIMPBJC-DHRITJCHSA-N	428.916	5.301	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1F	409235375	ZYSWADOFFUULJQ-BOPFTXTBSA-N	427.401	5.798	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1CSCc1ccco1	2101814	IVAMACRHUFGVRA-BHGWPJFGSA-N	449.359	5.792	50	40	IKGB	
N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	2317478	UMKFKJDHSDZEBN-JLHYYAGUSA-N	430.316	5.865	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CCOc3ccccc3F)c3ccccc23)c1	8742305	CCUFMAZLGXRBEK-CAPFRKAQSA-N	439.490	5.714	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1	10315735	PGRWFNAJALYMDL-STBIYBPSSA-N	443.522	5.229	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1	12275940	LZNQXOXPNGBGKN-DEDYPNTBSA-N	425.513	5.441	50	40	IKGB	
CC(C)(C)C1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1	15911694	NGFGMDOPXMFUPE-UHFFFAOYSA-N	433.983	6.877	50	40	IKGB	
Cc1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)c2ccccc2)cc1	26580578	FROFCOBMTFTGNP-RCCKNPSSSA-N	434.333	6.280	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2C)c1	33562438	POSWGFUFOHLSOR-NDENLUEZSA-N	447.922	5.470	50	40	IKGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	33725598	FDOMUOQTDVUDBB-XNTDXEJSSA-N	447.304	5.321	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2ccccc2cc1O	35131841	MYWAMWZAQNUSML-MSXFZWOLSA-N	435.823	5.131	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(OC)c1	59201057	YTTSFYBWJPCGDB-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)o2)cc1	59233068	SEYWQUJWLDMIAW-LDADJPATSA-N	434.879	5.631	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1	59255405	JBZRHGOFVNVKGY-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1	59335491	YROOBAHRXCWJBO-WQRHYEAKSA-N	434.883	5.510	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccccc1	107019911	MVFDWMAPJWVADR-XKZIYDEJSA-N	430.334	7.790	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1	216067050	UEGGHCKISYVZIO-VUTHCHCSSA-N	438.527	5.972	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)cc1	408764381	MQCVRVJQOXAXDA-MBTHVWNTSA-N	427.470	5.368	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408796436	OWFDGLDHQUZYOY-LICLKQGHSA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408842082	IJRSNYKQNDJMOO-DHRITJCHSA-N	449.919	5.277	50	40	IKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12	408888901	CPQAATUMNJLEOH-OGLMXYFKSA-N	438.483	5.140	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1Cl	408990670	YAOLZTUZUIZVSB-NDENLUEZSA-N	446.890	5.471	50	40	IKGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	409258284	SRYQZDWKIVCMLY-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Br)CBr	575361297	WOPQRNXNUYDPGM-MRVPVSSYSA-N	427.964	5.065	50	40	IKGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)c1ccccc1	857767	LAUGCIUSYVWGQM-LHXREVONSA-N	430.335	5.239	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C	6266517	OMBMFTBXBSHXPT-LQKURTRISA-N	425.532	5.637	50	40	IKGB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	9324105	UIXQUZICCOPIBO-CAUYNWHBSA-N	431.448	5.435	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1nc2ccccc2[nH]1	16525450	ZMHWWXPPQWYVGF-QGOAFFKASA-N	442.444	6.649	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	59116959	MYRVPHFKCWPHKA-LGMDPLHJSA-N	437.282	5.758	50	40	IKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OC	59473580	DKBRSZHZROWOCK-NLRVBDNBSA-N	434.561	5.291	50	40	IKGB	
CCCC[C@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682087	YOEXYNDIPQDOLJ-NKWVEPMBSA-N	430.092	5.839	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	105070676	ZOJYPMPQDDNCJZ-MSXFZWOLSA-N	444.274	5.245	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1	108107779	SAQVUIRDWKNEBJ-ZDLGFXPLSA-N	425.271	6.545	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1	216038938	XNSKRTJPKCGJEH-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OC	408581025	SQPLTKXVLFXINZ-VXLYETTFSA-N	440.326	6.654	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cc(Cl)ccc1Cl	408589294	LFFYBWGACVCUFC-MZJWZYIUSA-N	436.342	6.318	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1Cl	408735061	NJXUNQHYXVQVRO-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c1C	408744743	HAXPDKPODUTLBO-UYRXBGFRSA-N	447.922	5.388	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408820516	YFGFIPYXBHMKCE-YBEGLDIGSA-N	438.846	5.341	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)c1	408966109	JYGLHPLEZZVPJJ-MOSHPQCFSA-N	447.922	5.470	50	40	IKGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccccc1Cl	408976147	PQRQXYOZQJZQPC-ZGIHVHOQSA-N	426.944	5.204	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)NC1CCCC1	409194601	POFJDLZAEQPBLC-SXGWCWSVSA-N	433.310	5.677	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1Cl	409369780	XEHZVDNBJSYVCU-WOJGMQOQSA-N	445.346	5.500	50	40	IKGB	
O=C(CCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21	3064283	URHIXYZCUFKWPM-QJOMJCCJSA-N	446.117	5.070	50	40	IKGB	
Cc1ccc([C@]23C[C@@H](C)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452021	QZQNBOQVPHCQLF-LZECLLPCSA-N	430.935	5.284	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	8860727	WNYJJPJFCJRGSO-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC	9444980	NSBLCNLNYVKFSD-WOJGMQOQSA-N	428.513	6.053	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC	35304096	ZPJLLDWSIXHLNU-SSDVNMTOSA-N	447.900	5.024	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	59335639	YPACYVVUCOAMSM-KQWNVCNZSA-N	442.946	6.502	50	40	IKGB	
CCOc1cccc2cc(SSc3cc4cccc(OCC)c4oc3=O)c(=O)oc12	95471142	BNOYCJSMNPLZMF-UHFFFAOYSA-N	442.514	5.496	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(Cl)c1	408738024	LXDUSDDIUCPJEM-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)ccc1Br	408848177	PZYZDBWNYZEIQO-RQZCQDPDSA-N	441.369	6.256	50	40	IKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408896037	MOFRDLCTCLRFRA-HAVVHWLPSA-N	432.479	5.913	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1	408982790	FHHLITGGURYGEL-NDENLUEZSA-N	447.922	5.388	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(Cl)cc1	408998887	SMNOPPXXIXJQET-SRZZPIQSSA-N	435.730	5.611	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C	409208291	BXRICTAPQREJCS-BRJLIKDPSA-N	446.403	5.952	50	40	IKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1	409227007	WXIRZEZRFJBUTR-UNOMPAQXSA-N	445.906	5.212	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)s2)cc1Cl	954311	SKWBEXRLWRCPGM-KEBDBYFISA-N	435.980	6.365	50	40	IKGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C(C)(C)C)s3)C3=C2CCCC3=O)cc1	1057851	HVZLTWCGBCALTL-QFIPXVFZSA-N	433.577	5.359	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1nc(-c2cccs2)cs1	12495539	AIISSFBUQMZWNA-GXDHUFHOSA-N	437.933	6.331	50	40	IKGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1	16137036	PQNDZIOYZPDDJF-NDZAJKAJSA-N	442.563	5.862	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(C(=O)O)c1	33552023	VJHQYCGAXFOSIX-LCYFTJDESA-N	427.243	5.497	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	59224726	VIIUNAQSWGDPCH-WQRHYEAKSA-N	440.396	5.969	50	40	IKGB	
CCCCCCCCCCCC(=O)N/N=C(/C)c1cccc(NC(=O)C(F)(F)F)c1	100166694	ZWWHLNSPZWWXLC-PKAZHMFMSA-N	427.511	5.949	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21	208462315	NQWFANVILNOHLG-JVWAILMASA-N	432.955	5.526	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1	408531149	NJLAVOAJCJZCFZ-KVSWJAHQSA-N	448.876	5.329	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1Cl	408742474	ALRAEEOBMHVIMX-UNOMPAQXSA-N	447.922	5.388	50	40	IKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	408746432	SQVHHXYUDCVLNR-HKWRFOASSA-N	431.923	5.858	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	408799672	HKJGRSUNJVPROZ-GXDFBKAQSA-N	441.531	5.055	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NCCc1ccccc1	408803642	RNJLCQDSLIQTIT-LGUFXXKBSA-N	432.523	5.685	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccccc1F	408852440	KWVUZVCGHXZGMK-MBTHVWNTSA-N	425.463	5.647	50	40	IKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccccc1Cl	408867410	KRHGVBUHXHLERX-LTGZKZEYSA-N	440.905	6.769	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1	408885304	ZBQWHDPFFBGUOS-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408925942	VDIRRTLJPKKHBV-RUDMXATFSA-N	431.062	5.754	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1cccc(F)c1	409068661	BMRMSCKRDJJLOQ-FYJGNVAPSA-N	440.474	6.347	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	1195162	JIVRFKAOWQKOMC-GXDHUFHOSA-N	427.287	6.198	50	40	IKGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc2c(c1)Nc1ccccc1S2	13149977	JBDGXSGUGOVQHM-YZSQISJMSA-N	433.602	6.226	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCCOc1ccccc1	13424130	HIPSDEBCRNFXMV-CAPFRKAQSA-N	446.478	5.228	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1	27562917	YEJCFGGEFIDGNA-XMHGGMMESA-N	446.528	5.536	50	40	IKGB	
Cc1ccc(C(=O)NC(C#N)=C(Sc2ccc(F)cc2)Sc2ccc(F)cc2)cc1	101434315	GZYSEYQZSKFTNW-UHFFFAOYSA-N	438.524	6.280	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1	408585784	INDPHCHMVLHYND-XKZIYDEJSA-N	430.334	7.790	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12	408761107	HWNVEXHRRJXIBF-HMMYKYKNSA-N	434.499	5.134	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1cccc(F)c1	408876136	NJZCAEAAOCGYFC-RQZCQDPDSA-N	438.861	5.763	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	409009633	HDNWSNRJYAQTHH-NWFCWYBLSA-N	433.733	5.825	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc(F)c1	409189276	OOKBCTLKVZUPCH-ZDLGFXPLSA-N	442.918	5.423	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(O)c1	409390869	GBHXLFYBQQTVLR-MZJWZYIUSA-N	447.922	5.130	50	40	IKGB	
N#C/C(=C\C(=O)Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	851454	AFOSLDZPNBTFPQ-SDNWHVSQSA-N	438.237	5.163	50	40	IKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	1905826	LUKDSHXQDBOYDD-LDADJPATSA-N	435.936	5.498	50	40	IKGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(CCCCC)cc1	8386366	WMRLVYRREMKKRT-TURZUDJPSA-N	430.548	5.666	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1	8812402	NGENWHCHJFLHBY-VULFUBBASA-N	426.875	5.221	50	40	IKGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c1	13940733	RWPFRFVETRAABP-YSURURNPSA-N	437.710	5.744	50	40	IKGB	
N#C/C(C(=O)Nc1ccccc1Cl)=C1\SC=C(c2ccccc2)N1c1ccccc1	16477969	FCBHAFZPXNHIAW-LYBHJNIJSA-N	429.932	6.266	50	40	IKGB	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1	220922877	ZWJUWCGVRMHETE-RDJZCZTQSA-N	437.656	5.293	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1F	408543761	QATTVOKORBHJBJ-FYJGNVAPSA-N	441.506	6.361	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl	408598632	GQYNETXEWHFYLG-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408877076	PKWMCZQGXTZOBF-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408935144	GYEVDRXOLJQPII-ZHZULCJRSA-N	443.459	5.118	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1	409052876	BDAJHWQXVNYTHC-CPNJWEJPSA-N	445.906	5.212	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(OC)c1OCc1ccccc1	409330477	AQQQSJHWADLXHI-NLRVBDNBSA-N	431.535	7.220	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl	9370082	FHVXKHJEURWJGC-NRFANRHFSA-N	429.372	6.212	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1cccc(OC(F)F)c1	12692303	ZLPGNQPPXFQAJT-JFLMPSFJSA-N	444.865	5.674	50	40	IKGB	
CC(C)(C)C(=O)NC(C#N)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1	27020705	KBFNZZHZOSNXOP-UHFFFAOYSA-N	437.417	6.733	50	40	IKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1	32116825	SLMOHVNTUVFAOZ-QRVIBDJDSA-N	425.897	5.472	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1	59282195	MKPJXCLAXGUOQQ-LFIBNONCSA-N	429.314	5.181	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC	59483948	XQBNXDQFDWNSLA-BOPFTXTBSA-N	441.325	5.267	50	40	IKGB	
Cc1cc(Br)ccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	100860058	OMQRRTRWWNGOET-UVTDQMKNSA-N	430.758	6.511	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)nc2c1	107922700	ZOIZJEIMILWHKM-QNGOZBTKSA-N	449.941	7.321	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223561544	MQUZAGMMFTUMCK-SJJOQSKNSA-N	437.591	6.196	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(-c2ccccc2)cc1	408568275	SJLGASLWKQHXHX-HZHRSRAPSA-N	432.502	6.841	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)nn2-c2ccccc2C)cc1	408724864	MHXKZUPBFIPFIM-JVWAILMASA-N	428.923	5.573	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1	408759218	ZXIRSZYFRXQXFJ-SSZFMOIBSA-N	447.834	5.013	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)cc1C	408807047	JYDSKPCEZIODSV-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1ccccc1Cl	408864952	BEZGMRLUCDHYLV-HYARGMPZSA-N	430.935	6.184	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccccc2Cl)c1	408886923	JZUPBEPTXUUGSH-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	409018762	ZAWLOQDKOJNBBW-SSDVNMTOSA-N	437.124	5.311	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409095103	HEDWKJCMZQKELT-LGMDPLHJSA-N	439.367	6.999	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409177698	HWQCTDJSVLWUFJ-VULFUBBASA-N	432.863	5.144	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)[nH]c2c1	409391051	HFILMWLDBXLNDI-ZHZULCJRSA-N	449.485	6.507	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)s3)C3=C2CCCC3=O)cc1	705430	VQRLXWQQEVZZFS-IBGZPJMESA-N	440.366	5.124	50	40	IKGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3Cl)c2[C@H]1c1ccc(OC2CCCC2)cc1	8382655	FCQUPBNOUBMJHK-FQEVSTJZSA-N	432.911	5.270	50	40	IKGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	8399752	GQYYDLTZOQVLIV-WGARJPEWSA-N	426.303	5.400	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)cc1Br	14134455	WWRLBWPGMDJKCA-MFKUBSTISA-N	438.369	5.248	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Br)cc1	33697962	CSHKOZBHGNKTBS-JAIQZWGSSA-N	449.304	6.309	50	40	IKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	59117459	XSZBJUXYUNGSLT-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1	59334956	TWIAQKYZLXAYLD-NDENLUEZSA-N	435.321	5.176	50	40	IKGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528887	CAANKOCZJQMYMU-REOHCLBHSA-N	441.981	5.211	50	40	IKGB	
CC(C)[C@H](C)/C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3	118936451	VXOZCESVZIRHCJ-JOHAHDBESA-N	428.657	6.474	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1C	223167348	SKGNAMFHKKGQDE-ODLFYWEKSA-N	438.358	6.563	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C	223576183	QNRTYOQNZWNCEJ-VHQYDUIRSA-N	427.976	5.290	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408526148	AJWWZFWVZBLXDL-YVLHZVERSA-N	446.175	7.228	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)O)c1	408542588	MKPIYJJYOMYXNX-IWIPYMOSSA-N	448.478	5.663	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1cccc2ccccc12	408775916	WRVDGBVJJNJCRX-IWIPYMOSSA-N	440.543	5.587	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1	408791835	DFJXCJCURFSEMU-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1	408805365	ALJUWIBWIQBYSB-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408843730	TUKFTSXGYQOAJM-STBIYBPSSA-N	441.575	5.044	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(F)cc1	408881697	MDJUKENCGHORHY-STBIYBPSSA-N	442.490	5.721	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1Cl	408986889	NOHNHBTYBNQZRF-ODLFYWEKSA-N	448.910	5.818	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2266016	WLSSMJCKZVWTLV-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](/C=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=O	2339257	IBRUAZCIQDEKQL-KONDSOJQSA-N	433.920	5.241	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(O)cc1	2355670	WYCLMEOQGUWZNH-GZTJUZNOSA-N	436.309	5.108	50	40	IKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccccc1	6190248	LXRIXJCCJBIWPV-QQTULTPQSA-N	429.523	6.380	50	40	IKGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc3ccccc3c2)nnc1-c1ccc(C)cc1	9358445	YULDJZQFQUBXPQ-ITYLOYPMSA-N	443.576	5.059	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	16693136	TYOBTHNCFDOUQV-XAMHBUIASA-N	438.527	5.823	50	40	IKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	28215837	ZAHUSWAADIIJHZ-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
O=C(Cl)Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1	41127414	XGTSISSCTXIFGZ-UHFFFAOYSA-N	426.697	6.232	50	40	IKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	59473251	GSONJYOLWUDIPT-AEOXGOBCSA-N	429.885	5.139	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(/N=N\c2cccc(Br)c2)ccc1O	101667694	OJVVXHHTZXVGDS-HVNIOBLQSA-N	437.297	5.263	50	40	IKGB	
O=C(Cl)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1	226339999	VLLNQFURQRWNNH-UHFFFAOYSA-N	438.930	5.823	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408692503	NXEAJJASTNGMGB-KBKYJPHKSA-N	433.314	5.102	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(OC)c2)cc1	408881492	MOEWFMWCZDGHGD-KGENOOAVSA-N	430.479	5.369	50	40	IKGB	
COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc2ccccc12	409370689	DFKYSLCAUCSLKA-XMMPIXPASA-N	441.531	5.605	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	409375318	JAHYECMJQUEDIF-WQRHYEAKSA-N	427.335	5.497	50	40	IKGB	
CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	1614467143	VNWWMZKAASJVJP-BKMZSJCBSA-N	425.569	5.264	50	40	IKGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(-c4ccc(Cl)cc4)o2)C(C#N)=C(N)O3)cc1	664784	SCNGQJUKUXLXFO-FQEVSTJZSA-N	444.878	5.217	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1	1454067	IEHSJOVQHFBNAA-STZFKDTASA-N	428.488	5.594	50	40	IKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Br)cc1	1948558	FPMRNQZKIDZNJQ-SRZZPIQSSA-N	430.129	5.065	50	40	IKGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)s2)cc1	2341421	JYUGLUGDEUWMDC-OWTPYQNBSA-N	440.619	5.046	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1F	3236851	IKJRGIKMHCHDAP-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1cccc2ccccc12	8812091	HPMYBINRYZIFAZ-LQKURTRISA-N	428.463	5.330	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl	9259116	XJONZEZRJKNTBQ-WJDWOHSUSA-N	428.294	6.086	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	9323074	KRBADUGXFWEKSO-BTQGWNRHSA-N	428.838	5.309	50	40	IKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1	12140030	LSDRJWBMUNVCRE-GXDHUFHOSA-N	430.758	6.511	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)S(=O)(=O)c1ccccc1	17098245	SLBAVFOMAAQSIG-HYARGMPZSA-N	432.932	5.681	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(C)c(C)c2s1	20132856	IREDRJYTFBKMPY-SNVBAGLBSA-N	434.197	5.568	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1	20764649	OSSPNGPSQNTSLL-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OC(C)C)c(OC)c1	33666597	ZXHUGZMRNTXJNH-DHRITJCHSA-N	426.900	5.062	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	33760910	MWASPXABMIDVEJ-PDGQHHTCSA-N	427.342	5.791	50	40	IKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	59201729	ICJILRXECBKEOV-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cn1c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1-c1cc(Cl)cc(Cl)c1	67300003	HJKCMFHCBGUDJM-GZTJUZNOSA-N	436.367	7.187	50	40	IKGB	
CCCc1nc(CN(Cc2csc(CCC)n2)C[C@@H](CCl)n2cccn2)cs1	69810221	XBZHIQDPXLCQKZ-GOSISDBHSA-N	438.066	5.183	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1	209403678	IXKVNULTOZGTRC-UDWIEESQSA-N	438.752	7.054	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)c(C)c1	260569303	PIGHRIRZDIBJCL-SGMQAHBGSA-N	429.608	6.658	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc(C)c1	408544438	TWJDQUZDRCSIHM-UUYOSTAYSA-N	447.918	6.389	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCc1ccccc1	408548624	JXGHORRHQIOPPE-OYKKKHCWSA-N	436.467	6.400	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)o2)c([N+](=O)[O-])c1	408735478	SNDVDHZFTCQAHW-GXDHUFHOSA-N	437.839	5.371	50	40	IKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CC#N)c2-c2ccccc2)cc1	408743387	SMTVTIKUBAXPSF-TWKHWXDSSA-N	448.526	5.574	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	408779401	DOZHJWVAHLZFOP-KAMYIIQDSA-N	434.908	5.815	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1	408794826	KBKYHMLPTZECPR-XSFVSMFZSA-N	447.332	5.882	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C	408813997	GMCJDJVTQUNLSI-XNTDXEJSSA-N	431.717	5.521	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)c1	408874088	YJNFHYXWTWEBLY-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408925934	VBROWPQLGWKSSZ-SFQUDFHCSA-N	447.834	5.013	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1Cl	408983608	MTVCKYNKTYPMDV-JMIUGGIZSA-N	447.922	5.608	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	409233434	SFCNQKXWPYMEOK-COQDENBGSA-N	427.342	5.411	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1	949280	AIOIJDHDTBUTRC-GXDHUFHOSA-N	430.813	6.473	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1	1780856	ALSFVZYRYITFFP-CIAFOILYSA-N	444.339	5.911	50	40	IKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(F)cc1	4180288	MZIYCHCCQLGATQ-STBIYBPSSA-N	442.490	5.259	50	40	IKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	13586153	PVEQYPSUVTUCSS-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
COc1cccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1	14134347	RAZNLRLSNSORBC-STBIYBPSSA-N	433.511	5.615	50	40	IKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2	14151906	POPMQIOAECVNBT-XMHGGMMESA-N	433.536	6.351	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	58871645	JWIUSVLULCGDAC-PCLIKHOPSA-N	437.337	5.111	50	40	IKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	58900601	GRHRRJKJXPGFGB-OEAKJJBVSA-N	425.282	5.014	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	59432838	BWLMVSUXUNQKSI-CPNJWEJPSA-N	434.337	5.711	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)[C@H](C)CC(C)(C)N2C(C)C	223590133	OEXXSDSBZXZSQD-WMMPRDMWSA-N	446.422	6.566	50	40	IKGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408579531	HJACRYCEEHMAKD-NBVRZTHBSA-N	440.318	5.281	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1[N+](=O)[O-]	408599162	PMFZREPAMRBSMQ-DHRITJCHSA-N	432.867	5.015	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1	408743790	BQHDNBQJSNYDLG-XLNRJJMWSA-N	442.563	5.495	50	40	IKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	408760768	FSUAPDUUWQAOEM-UVTDQMKNSA-N	435.823	5.256	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl	408804818	BOAYZTJNPUXMLZ-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408843105	LQEJGASNLAFTCO-FSJBWODESA-N	439.949	5.632	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	408879967	HZLPGROLYOACGW-VCGQDBBLSA-N	441.369	5.305	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408893992	HVQOSQZMTQPJPD-JLHYYAGUSA-N	431.706	6.761	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(C(=O)O)cc1	408895614	NNWHEZIYOVJLTB-CPNJWEJPSA-N	432.863	5.163	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Cl)c1OCc1ccc(Cl)cc1	409044568	VYAVSESJIXWUCR-BRJLIKDPSA-N	445.302	5.051	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	409107173	QQTSXPQHEQDBRQ-SDXDJHTJSA-N	434.948	6.436	50	40	IKGB	
O=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCCCCCCCCC1	409131095	LVGWGOCPYLIBNU-UHFFFAOYSA-N	429.457	7.004	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc2ccccc2c1	409374709	XFTBHSTWIKSAHD-BUVRLJJBSA-N	445.522	6.758	50	40	IKGB	
Cn1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c2ccccc21	958955	VLMQZDHSVRFYHO-MHWRWJLKSA-N	432.936	5.425	50	40	IKGB	
Cc1ccc([C@]23C[C@H](C)N(C(=O)c4ccccc4)c4ccccc4N2C(=O)[C@@H]3Cl)cc1	1006226	QZQNBOQVPHCQLF-WMDMVVLCSA-N	430.935	5.284	50	40	IKGB	
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1	1436378	ICHDACKLAHDOHO-GOSISDBHSA-N	449.885	5.725	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	1932462	CRWWOVLHRONXTF-KGENOOAVSA-N	444.556	6.261	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	8860981	ASUZAJDUZPDOGZ-DVBTUXLISA-N	431.492	5.406	50	40	IKGB	
N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc3ccccc3c2)cs1	9445072	FRMFXYMCUORDDX-PTGBLXJZSA-N	445.547	7.732	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1cccs1	17095557	WCTNIJBAMHXARI-XAYXJRQQSA-N	427.573	6.631	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	28215808	WWDNYPOTFJDSJO-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1	59333402	JGWVVOVLSMUERA-VLGSPTGOSA-N	449.963	5.340	50	40	IKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=C[C@H](Br)[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	77284760	XBASGDGJPXJCNL-WSWZUSLFSA-N	437.418	5.460	50	40	IKGB	in-vitro
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1	136982918	MZJFUGNUKYAUIO-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792470	AFYHTAIXTIPPQM-VCHYOVAHSA-N	432.863	5.193	50	40	IKGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)c(OC)cc1Cl	408825218	RRQSZFVUJXCNMO-VGOFMYFVSA-N	435.307	5.343	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1	408883993	WICPAFZAQGHZMR-DEDYPNTBSA-N	448.881	5.402	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1C	409258965	WHBLZHZNPLLRIL-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	409363052	KUKHJARXKVESJZ-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)n1	409375198	GZUMEHMDMLDSIN-DEDYPNTBSA-N	428.923	5.712	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc2cc(Cl)ccc2o1	1101727	VVJBFZHPFBLHIY-YSURURNPSA-N	443.242	5.462	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccc(Cl)cc1	2784935	KAUAYUWDZUSYOH-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
CC(=O)[C@H](Cl)[C@](C#N)(c1nc2ccccc2s1)[C@@H](C#N)c1nc2ccccc2s1	8782801	HDACPNLLLJNGAP-LTBCBRHQSA-N	436.949	5.171	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Br)cc1	8809416	OOFVEROTSXHVLS-JVWAILMASA-N	444.332	5.818	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1	9160227	JDWHJMBYUGUANF-MRXNPFEDSA-N	427.291	5.000	50	40	IKGB	
CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1	27021248	CGTPNKVWCLCXDK-HAVVHWLPSA-N	448.526	5.161	50	40	IKGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CSc2ccc(Cl)cc2)cc1	58915998	NTOVSLASWVDLCK-AFUMVMLFSA-N	438.936	5.167	50	40	IKGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1	102882566	VTXJRWMPGIWPIY-QHCPKHFHSA-N	447.560	5.792	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)Sc1nc2ccccc2s1	107938547	JRCJKFKHCJCRHY-FYJGNVAPSA-N	425.538	6.404	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	408538672	BLIPSLIOADLMMZ-CPNJWEJPSA-N	447.362	7.705	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1	408677634	TVCKBVZNXSJICC-TURZUDJPSA-N	443.547	5.028	50	40	IKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)cc1	408708661	SGIYMUYJYMWMNK-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)c1C	408776824	RBCNCIRZYIJHJX-BWAHOGKJSA-N	431.539	6.615	50	40	IKGB	
CC(C)NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408783849	RSWOPVWIBNWWCJ-XIEYBQDHSA-N	431.539	6.243	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408795733	MXASHMCHXRHCGH-WUXMJOGZSA-N	442.129	6.411	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1	408810466	KRPKAUNJLJSCJW-PKAZHMFMSA-N	428.536	5.450	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc(Cl)cc2)c1	408855524	DZGFOELWDBHTFJ-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)cc1	408889999	MIYGUWIIXUQZDM-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(Cl)c(Cl)c1	409235064	ADFHGJPSCZKTNB-WKIKZPBSSA-N	440.305	5.899	50	40	IKGB	
CC(C)[C@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]21	4048168	NUFQCYGMDGDPAI-KATXQCMRSA-N	446.956	5.615	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CC(C)(C)CC3=O)N2)c1	13080564	LIZSLYABIKYNSH-QFIPXVFZSA-N	447.560	5.025	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1C	33657832	AABIQUSFNYJQJG-DHRITJCHSA-N	446.532	5.598	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1	59224472	VQKOAIRZXDAJAQ-OQKWZONESA-N	448.478	5.613	50	40	IKGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	59437074	TWRNNUBINHLJRQ-BHGWPJFGSA-N	433.360	5.945	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)c1	223605938	NYAMYIGAYGYPBX-VFAFIFLJSA-N	431.580	6.050	50	40	IKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)c2C)cc1	408744377	KVZZEVKWCBUKLE-XLNRJJMWSA-N	441.531	5.603	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C	408800394	OWNXDVKTUJWPMJ-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cc(C)cc(C)c2)cc1	408878812	BMGKEQIPIKOECD-HZHRSRAPSA-N	444.962	6.492	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)cc2)cc1	408880820	HOKXOJYDIGRWHO-KOEQRZSOSA-N	438.527	5.617	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1	409072421	NKCLCXIHUYIQTH-HYARGMPZSA-N	444.462	6.114	50	40	IKGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)ccc1OC	409316555	ZJBGICMPDJTPBT-YSMPRRRNSA-N	438.911	5.090	50	40	IKGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	685950	CKJNCOTXWNJWCO-LVXARBLLSA-N	432.527	5.089	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1O	1877981	VWCGVTCUOSUYRC-BRJLIKDPSA-N	425.271	5.876	50	40	IKGB	
N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	9057844	JOOHAFGYNNHVHA-JLHYYAGUSA-N	448.451	6.307	50	40	IKGB	
COc1cc(OCCCC#N)c(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	9187423	RSSLPTPMIZYYEI-XNTDXEJSSA-N	437.297	5.081	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1cccc(F)c1	9263490	CNBSUGHAKDOSJH-UDWIEESQSA-N	427.479	6.052	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	9264368	PMDHTHRHAPOBQV-KGENOOAVSA-N	445.994	6.899	50	40	IKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccccc3Cl)CC(=O)N2C1	9693155	TXLSQKNWOCZGOY-OAHLLOKOSA-N	430.360	5.521	50	40	IKGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)cc1	13174258	IOCPJFGKCGIAJO-JOCHJYFZSA-N	449.601	5.111	50	40	IKGB	
COc1ccc(/C(C)=N/NC(=O)CCSc2ccc(Cl)cc2)cc1Br	16158368	GDTDVRGYQADQSI-CIAFOILYSA-N	441.778	5.134	50	40	IKGB	
Cc1ccc([C@H](Nc2cccc(C)c2)[C@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16292108	QUFDVMUEEBQOKX-XCZPVHLTSA-N	436.580	7.076	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	34857246	GGQJSJXLAVBEGF-STBIYBPSSA-N	435.483	5.063	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	40846873	OBDYPPUUTNCSGJ-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	59336535	NVIKIAMBXQZYNB-ATVHPVEESA-N	443.330	5.841	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2[C@H]3C[C@H](Cl)[C@@H](C3)[C@@H]2ON1c1ccccc1	245239969	IQANXENRXCCHTF-VAWCFNDISA-N	432.745	5.084	50	40	IKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12	408540079	MTJCFBTUZXHEJZ-USHMODERSA-N	436.983	6.996	50	40	IKGB	
CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C(/C#N)c1ccc2ccccc2c1	408549986	CKQSCCSRSDFMCQ-ONUIUJJFSA-N	447.534	6.932	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408567868	PTLVCYQWLTTZKD-WPWMEQJKSA-N	445.519	5.164	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(Cl)c(Cl)c1	408587141	QYYSBJAKCGAQBF-WOJGMQOQSA-N	437.757	7.714	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1Cl	408802288	YWKPVHUVOXDSIH-OVCLIPMQSA-N	433.733	5.744	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC(=O)c1ccccc1	408897076	QMUXOWOCTWTCSZ-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409049836	XYBMAQCAIRLYKL-NTUHNPAUSA-N	443.252	6.347	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F	409209100	FTJLFUSNRTWXIU-ZDLGFXPLSA-N	438.842	6.039	50	40	IKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1	1439519	CRVWEZFCXGOOHN-PXLXIMEGSA-N	440.499	5.385	50	40	IKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	6142228	XFCZDOWZPWIQOZ-RIYZIHGNSA-N	448.762	6.240	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccccc1C#N	9202227	QXRAGACSRMVNHE-RWPZCVJISA-N	447.922	5.262	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)CSSCC(=O)Nc1ccc(Cl)cc1C	26891961	GSMBZBQZWIDBJR-UHFFFAOYSA-N	429.394	5.569	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1OC	28216805	SSXLXNNYKDVORP-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	59117378	JAVFZYWFSRTTSE-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1cc(S[C@@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)c(C)cc1Cl	100019288	UQFWYIQBXGFENR-OTNPHJDUSA-N	436.846	6.085	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl	107647644	QWOUROAQJYMCDB-NDENLUEZSA-N	434.879	6.290	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl	209487300	RQJDWSYJGYKVCP-CIAFOILYSA-N	438.354	7.344	50	40	IKGB	
COc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(Br)cc1	226306726	MWZSXXMGDWUPGZ-UHFFFAOYSA-N	434.511	5.178	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C)cc1	408793967	HIKXWUMIUQNCOL-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Br)cc1	408813458	NHKYRCSMIWKMQQ-RCCKNPSSSA-N	448.364	5.123	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccccc1	409246342	BHXDMFBNCOJIFM-SUNMQZQPSA-N	448.526	5.064	50	40	IKGB	
COc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCCCCCCC2)cc1	1084449357	QQXJKXSEKQUISE-UHFFFAOYSA-N	426.479	5.230	50	40	IKGB	
Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1	1856565	MSFOEDLEYZIDQL-RGEXLXHISA-N	449.535	6.663	50	40	IKGB	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(SC)cc3)c3ccccc3n2)cc1	2089969	IWGLVFMDRKYHLF-WGOQTCKBSA-N	427.529	5.396	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl	16439425	XYIWURMPRAWEFD-LFIBNONCSA-N	441.318	5.101	50	40	IKGB	
CCOC(=O)/C(C#N)=C\c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1	33939130	WWNKCKILGBXFER-XIKMWBKBSA-N	447.538	6.177	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1OC	34889054	YSHRXEGWHSPHMK-GMQKBEEJSA-N	425.916	5.081	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58917177	KLSRZEAOHIZPIW-IXBOPPFXSA-N	446.403	6.032	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1cccc2ccccc12	83318158	IBXJZWMVURXUQX-RHANQZHGSA-N	442.490	5.259	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C	223547925	JMGHPMKXNBFHAZ-VHQYDUIRSA-N	427.976	5.370	50	40	IKGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OCC	408526916	ACYWCGRWLXVBGO-MYYYXRDXSA-N	437.565	5.460	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2)cc1Cl	408580471	PSRITBRHXTWBKU-XDHOZWIPSA-N	437.326	6.384	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	408600147	VTXCGCAZSKQFJS-MUFRIFMGSA-N	443.978	6.404	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408784232	ACZCMBHLNRLXGI-LQKURTRISA-N	428.511	5.405	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(O)cc1	408797940	UACIXWOWZWEMKK-QGOAFFKASA-N	449.304	5.279	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1	409230888	HBGLELNOHLGCHN-ZMFRSBBQSA-N	431.294	5.404	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)c(C)c1	409255162	ZIRCZGXOESQWAP-XSFVSMFZSA-N	443.478	5.006	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1	409366490	VICKKMLPYGUZFP-FDAWAROLSA-N	445.566	6.152	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1Cl	409371702	JWCGAYWDUOGBCB-NHDPSOOVSA-N	449.337	6.907	50	40	IKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C)c2)s1	8763829	AWUOVBZSUHVBSX-RCCKNPSSSA-N	431.561	5.767	50	40	IKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1	9110801	RSKXONVUCZGUAD-KRWDZBQOSA-N	446.359	5.012	50	40	IKGB	
Cc1ccc(/C=C\C(=N/NC(=O)N/N=C(\C=C\c2ccc(C)cc2)C(C)C)C(C)C)cc1	31853445	KNNOUVKDRPRHOJ-JLOJSJBWSA-N	430.596	6.353	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)[nH]c2c1	33364217	QDJSHKPYLLPESW-GHXNOFRVSA-N	439.258	6.411	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccc(C)cc1	33656688	XJYQQHDJZBCLLJ-IWIPYMOSSA-N	449.554	6.560	50	40	IKGB	
O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1	98050252	RODPGMJQTOXSCB-UHFFFAOYSA-O	445.910	5.413	50	40	IKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	100229717	SVEQCENMDYZVBX-NFUQQGHBSA-N	431.363	5.849	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1Cl	209279283	LKWKYKGSFIKLIB-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccc(F)cc1	408925715	TUMJOASSGLHNBN-LFIBNONCSA-N	428.294	6.086	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(C(=O)O)c2)c(C)c1	409048294	SGFGHKFZEXNMOM-BKUYFWCQSA-N	426.472	5.126	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1F	409193953	ISTNQUPXIZRYHV-BHGWPJFGSA-N	448.723	5.413	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409273629	ZPBXIFUVLDMMRW-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	2849641	AGSVJCOINHRZJR-XDHOZWIPSA-N	428.517	5.879	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(C)n1-c1ccc(I)cc1	3235062	KQOXMLGHKSNIAW-LFIBNONCSA-N	432.305	5.221	50	40	IKGB	
COCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	6136150	PLPIUYRYAKUJGG-SFQUDFHCSA-N	442.346	5.056	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c(Cl)c1	9288153	CXIGTPNDNKRDGV-PGGKNCGUSA-N	442.129	6.633	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	12364188	MATVAWFONWVXTG-PDGQHHTCSA-N	436.870	5.569	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)c1nc(-c2ccccc2)cs1	15906436	GQZPTGWWIRAAND-SFQUDFHCSA-N	436.508	7.449	50	40	IKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1	30738583	FEUKIMKQADTXCQ-PJIZFRNJSA-N	446.572	5.519	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	59245245	XHFWBJRUOZNYJE-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(C)c1	59432652	UPCAGSURSFQMIK-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	137022820	KXCVZBRTKKDVET-MHWRWJLKSA-N	440.971	6.195	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1	209664152	UWSXEXFCROMKCM-UYRXBGFRSA-N	426.545	5.452	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1Cl	408734934	LRDKTZZKKJYWCH-DEDYPNTBSA-N	425.919	6.197	50	40	IKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	408850910	GGKLNQIWIJFTFB-RAXLEYEMSA-N	441.270	5.806	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc4c(c3)c3ccccc3n4CC)cc2c1	409188256	XUZCZNOBRBLQLC-YUMHPJSZSA-N	425.488	5.723	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C	409217956	GEPNRPJRRAQBKC-SXGWCWSVSA-N	431.286	5.607	50	40	IKGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	409228465	YZSHXCJMZJJGDW-JYRVWZFOSA-N	438.247	5.080	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccccc1Cl	409377045	FNXRJGZLFONAIG-BKUYFWCQSA-N	449.938	5.413	50	40	IKGB	
O=C(c1ccc(Br)s1)[C@@H](Cl)[C@H](Cl)c1ccc(Br)s1	1685382	XPMPRVLKIPQPMA-ZJUUUORDSA-N	449.016	6.105	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccccc1Cl	9245420	UGBKMEIYEUTXHQ-OAQYLSRUSA-N	448.910	5.189	50	40	IKGB	
COc1ccc2c(Cl)c(C(=O)NN=C(Cc3ccccc3)Cc3ccccc3)sc2c1	12657373	SEISGCRCWRRHFS-UHFFFAOYSA-N	448.975	6.135	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151705	DONNUHYQAVFPEK-RVDMUPIBSA-N	433.920	5.958	50	40	IKGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(Cl)c(Cl)c1	58927865	QTYIFTKGDRHGJX-DNTJNYDQSA-N	432.170	5.139	50	40	IKGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C#N)c3C)sc3c2CCCC3)cc1	59250385	YPANBUKQHKUBKS-UHFFFAOYSA-N	440.572	6.026	50	40	IKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc2ccccc2o1	83252555	WGWOBVQPNXEPIN-QFEZKATASA-N	449.304	5.538	50	40	IKGB	
Br[C@@H]1C=C(c2ccccc2)[C@@H]2C[C@H]1C(c1ccccc1)=C[C@@H]2Br	95749436	GZMSWWLYOVNSKV-XSDIEEQYSA-N	430.183	6.330	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1	216042185	WMZAYOFTGHPCSA-DICXZTSXSA-N	436.939	5.237	50	40	IKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1Cl)[C@@H](C)CC(C)(C)N2C(C)C	223605995	MBEJLPONAFPYJO-HRVJUDJTSA-N	435.999	6.695	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(F)c1	408581190	HKYMXZOPUXNIIO-CIAFOILYSA-N	433.479	5.885	50	40	IKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1	2321212	AJTBZMWXHPZEKX-MUFRIFMGSA-N	439.559	5.651	50	40	IKGB	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cccc(Cl)c1	3175214	QMWZWEIEEHYSFT-VQXFCIMOSA-N	445.744	5.563	50	40	IKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1	9327491	HFUKTYQEBIZBMF-OBGWFSINSA-N	443.528	6.072	50	40	IKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(Cl)s1	19630974	VSQWKLMPLCGHAL-PCLIKHOPSA-N	439.993	6.531	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1C	32180661	ZQVVUHUEPBSDCY-XDHOZWIPSA-N	433.895	5.300	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OC	59336541	OYJQWXBDGRDPEV-WJDWOHSUSA-N	431.319	5.675	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC	59336543	VLJTVXSDEFWKLD-ATVHPVEESA-N	445.346	6.065	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	59433651	VLFGOYOHAVIZMN-RCCKNPSSSA-N	427.460	5.282	50	40	IKGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1cccc2ccccc12	226337886	WIYMIHBMASSRSK-MDZDMXLPSA-N	431.713	5.969	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1	408570478	VRBWSKNJJRDACP-BKUYFWCQSA-N	444.469	6.370	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408598951	LUXBONUNZZZGPC-NVMNQCDNSA-N	444.745	7.299	50	40	IKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c1C	408598952	LVCUUSTYOZRERF-OGLMXYFKSA-N	439.515	5.188	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccccc1	408741699	KQRBLPMXYKRCKB-GRSHGNNSSA-N	448.309	5.990	50	40	IKGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408828509	MRJMMSHHVRUBHR-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C	409003248	YUSBHUMLAXOQNH-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1C	409008080	SWEYIUSFUGCHCR-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(Cl)c1	409055226	XQTSRVPUIVCYHQ-RPPGKUMJSA-N	431.294	5.784	50	40	IKGB	
CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	2766216	DDLZVZYIUXSIRF-PWIYWSIBSA-N	430.548	5.698	50	40	IKGB	
CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1	8448436	LRPHDJFLWMTNNT-VTAQJHJQSA-N	432.514	6.566	50	40	IKGB	
CC(C)c1ccc([C@H](Nc2ccccc2C(=O)O)[C@@H](SC#N)C(=O)c2ccccc2)cc1	16575831	PIGTUCSJJLFITI-UKILVPOCSA-N	444.556	6.127	50	40	IKGB	
COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(\C#N)C(=O)C(C)(C)C)cc1OC	19645937	VXXYJLTZAKIRGM-XDHOZWIPSA-N	447.510	5.277	50	40	IKGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(/N=N/c2ccc(C)c(C)c2)ccc1O	20100910	VHFSJJXTFHOETC-AFLDOIPMSA-N	446.507	5.352	50	40	IKGB	
CC(=O)Nc1ccc(Nc2c(CCCl)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1	27585350	VMTIVBAYQGEFBF-UHFFFAOYSA-N	433.943	5.496	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1	59201079	QTSQKBFWGSDINI-CPNJWEJPSA-N	437.326	6.427	50	40	IKGB	
COc1cccc(/C=C(/C#N)c2ccc3ccccc3c2)c1OCc1cccc(C(=O)O)c1	408550402	GXJXQBJHAPRMIT-XYGWBWBKSA-N	435.479	6.190	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1	408581166	GYSCBCJZCHVBSS-XDHOZWIPSA-N	438.296	6.240	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccccc1	408740708	DNSYAUWDHRDMRK-ULJHMMPZSA-N	438.527	5.938	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408801190	SBGURYRBPNOLFN-XSFVSMFZSA-N	432.907	5.782	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1C#N	408807036	COTMEHBGSAMEJT-FWIZOMFXSA-N	443.547	5.138	50	40	IKGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408865055	AJJSEQCCMHPBDI-NYYWCZLTSA-N	426.097	5.310	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1cccc(F)c1	408867115	IVIJVTSALQNRNI-KEBDBYFISA-N	448.925	6.241	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1Cl	408987978	PZHFAIKPHPSGCH-NVMNQCDNSA-N	433.895	5.330	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409207268	QSRRAHAOFTVDLV-JMJNUIHMSA-N	425.319	5.158	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1	409241308	RAHGUCRMZMYFGG-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
Cc1ccc(S(=O)(=O)[C@H](c2ccccc2)[C@@H](Br)C(=O)c2ccccc2)cc1	1453032	MOBBZRDDCIJOCD-RBBKRZOGSA-N	443.362	5.156	50	40	IKGB	
Cc1scc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1Br	8781121	MKFXKAPZGIRADF-SSDVNMTOSA-N	429.339	5.162	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2cccnc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	10004005	FSJQVHPFDMDGDB-UVHMKAGCSA-N	437.330	5.464	50	40	IKGB	
O=C(N/N=C\c1ccc(Br)s1)c1cc(-c2ccccc2)nc2ccccc12	33710686	CVSXBKGZKGKMHH-QRVIBDJDSA-N	436.334	5.490	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc([N+](=O)[O-])c1O	36160088	WJGUHPFUQCVHNT-CXUHLZMHSA-N	429.457	5.650	50	40	IKGB	
c1ccc([PH](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1	104391451	CDDRQKCSAJWOOS-UHFFFAOYSA-N	428.515	6.483	50	40	IKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1C	408599782	KRAJJRFMMQXNSO-OGLMXYFKSA-N	445.563	5.332	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C	408815127	PNJDJNXPMAHPFG-UDWIEESQSA-N	432.907	5.787	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1	408882732	NSAYXBGQRHCRNN-HKOYGPOVSA-N	434.514	6.678	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1	408981798	CBNIZYLGMDHABP-UYRXBGFRSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	409092097	TWOAYFLWRUZHJZ-MHWRWJLKSA-N	444.796	7.123	50	40	IKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(C(C)(C)C)c1O	409217327	PDFFQMWYUPDUEU-DHRITJCHSA-N	433.017	5.883	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	2847112	QZSJNUNFECTMFQ-UDWIEESQSA-N	434.879	6.290	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)OC)ccc1OCCCOc1cc(C)ccc1C(C)C	4674597	IECBCHPAJUUGJK-PCLIKHOPSA-N	428.529	5.055	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	9185721	REMVXNFQNBBXKQ-RVDMUPIBSA-N	430.445	5.110	50	40	IKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(C)c(C)c2s1	20132858	IREDRJYTFBKMPY-JTQLQIEISA-N	434.197	5.568	50	40	IKGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	28216288	FRHGFQSSZBGFQH-BRJLIKDPSA-N	430.335	5.238	50	40	IKGB	
O=C(N/N=C\c1cccc(OCc2cccc3ccccc23)c1)c1ccc([N+](=O)[O-])cc1	30902153	RGMXDRQYTQPUNT-QQXSKIMKSA-N	425.444	5.091	50	40	IKGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)c1ccccc1	58917352	KLTVFHWRBQMEFR-RNRKLAHPSA-N	430.335	5.239	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccccc1F	58928145	LSULCQVVZKTYAF-BRJLIKDPSA-N	429.948	5.270	50	40	IKGB	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3c(O)ccc4ccccc34)sc2n1	78546548	FXGSUISFBWREDN-VULFUBBASA-N	440.528	5.327	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	408742728	BWOJCBPQSRAGNE-JWGURIENSA-N	435.527	5.942	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)c(C)c1	408791539	ZWFWOQOLIPDMAI-XKZIYDEJSA-N	426.472	5.126	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408847114	LNXUKUAVXYRICO-LGJNPRDNSA-N	427.331	5.953	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Cl)c2)cc1	408872191	AXLCXYNMMGWIDY-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc2ncccc2c1	408964070	BMDUNWQWEGGJLN-VULFUBBASA-N	447.336	5.169	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1F	409193655	KUSCDXGQYMUMAE-WQRHYEAKSA-N	442.918	5.423	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc2c1CCCC2	2669770	XNDUFJLQJLSOAF-NBVRZTHBSA-N	430.529	5.502	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OCc1ccccc1	9057322	HBXCBHVTTSJHMS-DEDYPNTBSA-N	443.459	5.037	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)S(=O)(=O)c1ccccc1	13323353	HWYBVVVCAQWPDR-HMAPJEAMSA-N	432.932	5.681	50	40	IKGB	
O=C(CCCl)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	16431315	QCNJGLPTTMCADW-UHFFFAOYSA-N	428.728	5.244	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1	27345714	FVOQVUZQDOXGJR-HAVVHWLPSA-N	441.483	5.345	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1F	59202101	FAQSODMQCXKZKB-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
O=C1OC(=O)C(=C(c2ccccc2)c2ccccc2)C1=C(c1ccccc1)c1ccccc1	104159327	WWKZRDFMKICPOR-UHFFFAOYSA-N	428.487	6.074	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1	408771067	CBFZBRDOOLOZHV-OGLMXYFKSA-N	439.515	5.188	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1	408819062	XYANVXAGHBWSBM-HMMYKYKNSA-N	428.488	5.349	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Cc2ccccc2Cl)c1	408877508	WIVFOOSYFCRRQM-LPYMAVHISA-N	430.935	6.102	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1Cl	408880699	ICZQEXPFNPKRDJ-WOJGMQOQSA-N	425.290	6.269	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC)c(OCC)c3)cc2c1	409186670	GHYLEBSECAJGEH-CFRMEGHHSA-N	430.888	5.046	50	40	IKGB	
N#C/C(=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc2ccccc12	409323399	NSKWBMFBQVLUCL-RGEXLXHISA-N	437.411	6.513	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1	409361305	RRMBEXVBLWEXOL-LCYFTJDESA-N	429.657	6.335	50	40	IKGB	
Cc1nc2c(o1)N(c1cccc(Cl)c1)C(N)=C(C#N)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	1073824	CJKCJIWFFKLFON-QGZVFWFLSA-N	442.262	5.176	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccc(Br)c1	20247361	LKYPTNSELCPPJH-ZMOGYAJESA-N	437.362	5.402	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c(C)c1	28216468	HVVLLVRZOQTJFZ-YMSFFTPVSA-N	440.012	5.995	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1	59117701	UKWJFKMWODRTQL-OQKWZONESA-N	432.479	5.913	50	40	IKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc3cc(Cl)ccc3o2)sc2c1CCCC2	101110454	SJKFCZYOPCJFTJ-VAWYXSNFSA-N	427.913	5.575	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c(C)c1	216049425	AHUXWYUBXNWDKN-MUFRIFMGSA-N	443.978	5.961	50	40	IKGB	
C[C@@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]2[C@@H](O)C1	255987663	MJLUKJALEPACMG-ZXZJECEBSA-N	434.693	5.628	50	40	IKGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cccc(Cl)c2)cc1	408708576	QOGGKQWXYCXIML-DHRITJCHSA-N	441.318	5.134	50	40	IKGB	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408792369	AVZDQMCMNCUZNY-IZZDOVSWSA-N	426.097	5.310	50	40	IKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408964242	CKGCDLOAWQFPQL-RHANQZHGSA-N	445.607	5.792	50	40	IKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(Oc2ccccc2)cc1	409110156	SRFRRWIUPAEKFH-DHRITJCHSA-N	445.371	6.169	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl	409185217	UJEYAGORNMSPEY-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1	409187832	UVHLWPRYEKPMCT-DHRITJCHSA-N	430.335	5.564	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	409392548	QLTNEGVHITVQTL-MUFRIFMGSA-N	443.934	5.634	50	40	IKGB	
CCCCCCCn1c(O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(=O)c2ccccc21	2591928	XMEQLFGARBJTCI-WGOQTCKBSA-N	439.943	5.095	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Br)cc1	3178761	QRBJONHAZHENHW-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)cc1C	28217020	ZQYLIDLVIAJBKM-CVKSISIWSA-N	440.012	5.997	50	40	IKGB	
N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NCc1cccs1	59087050	GWSMIJLNNDSNFE-LFIBNONCSA-N	449.938	5.767	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CSCc2ccccc2)cc1	59473231	ROYIBUPWMXCTQG-DHRITJCHSA-N	429.372	6.191	50	40	IKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cc4cccc(OC)c4o3)cc2[C@@H](C)CC1(C)C	223574907	IZBLTLOZRFLDRU-JEWIKEISSA-N	433.552	5.626	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	408778547	GYPTYASZBQAGAB-SQFISAMPSA-N	430.489	5.251	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1	408793190	NTIKGMYCKIWAGG-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2c1	409185417	YSQZFIWEOJEZCH-VULFUBBASA-N	435.911	5.656	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1O[C@@H](C)CC	409251719	VVXKNFDJRHSGLD-SYHQVDNTSA-N	426.944	5.700	50	40	IKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2C)c1	1195403	CHYRNCFVSFEKOX-ZVHZXABRSA-N	449.510	5.580	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1	1906126	DAVHVUODVYXSTQ-CPNJWEJPSA-N	435.524	5.598	50	40	IKGB	
Cc1ccc(N2CC=C(c3ccccc3)O[P@@]2(=O)N(CCCl)CCCl)cc1	5461882	ZEYHMGDOONPESA-MHZLTWQESA-N	425.296	5.760	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc(Cl)c1	6143354	PFJQXVNZWZNEHH-XDHOZWIPSA-N	429.907	6.258	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c(Cl)c1	10060120	RADOMVYKEDHEIU-DHRITJCHSA-N	427.287	5.285	50	40	IKGB	
C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(SCCC)cc1	16735727	CJYRGYKTDZOEIY-CAPFRKAQSA-N	428.561	5.251	50	40	IKGB	
CC(/C=N\NC(=O)CCC(=O)Nc1cccc2ccccc12)=C/c1ccc(C(C)C)cc1	28632563	NCSWDZUXLJNPKJ-GHYDRHKGSA-N	427.548	5.887	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	59117276	YMRLPOQIMQPODT-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
F[C@H](OC(F)(F)F)C(F)(F)Oc1ccc(CBr)cc1Br	98210767	RJZLASBPIGDUGZ-MRVPVSSYSA-N	431.952	5.148	50	40	IKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	100843649	KFPUAYNZLXSXED-KAMYIIQDSA-N	444.343	6.270	50	40	IKGB	
CC1(C)CC(OP(=O)(Cl)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O	104187538	WJEXNWRKGHWMOE-UHFFFAOYSA-N	426.922	5.188	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccccc1	108975883	QLFSPXKDPYOILB-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	226341617	CKVJMDOUIOCYML-ZZXKWVIFSA-N	431.069	5.368	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408726157	QJCSMGHUKZHCCT-ZROIWOOFSA-N	447.716	5.222	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1	408734930	LQJHSRRPNVAEDP-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1F	408814040	QZDKSQTTWVSAIL-QNGOZBTKSA-N	430.454	5.818	50	40	IKGB	
COc1ccc(OC)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1	408848064	PGIZNVBSUCDEHN-VEILYXNESA-N	439.515	5.234	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1	408890656	XFHMHLKAQUMFEB-UDWIEESQSA-N	432.907	5.787	50	40	IKGB	
C[C@H](CN1CCCCCC1)C(C(=O)[C@@H](C)Br)(c1ccccc1)c1ccccc1	1646405	OGKRECNIEBIOLI-NHCUHLMSSA-N	442.441	5.837	50	40	IKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2052914	NZOBTGUQXHHEGM-YSURURNPSA-N	437.710	5.744	50	40	IKGB	
C[C@H](Br)C(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F	2152099	OUHVWJARTAQYHU-QMMMGPOBSA-N	440.618	6.012	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl	8951848	BAFPSAAPCACXLA-CPNJWEJPSA-N	432.863	5.163	50	40	IKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccnc1	9263142	LNASOWMFCJAKBG-UFFVCSGVSA-N	436.718	5.006	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1	9350407	GXRLUROPHAPSIC-SFHVURJKSA-N	441.318	5.390	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C)c1	12284883	IVMCCEBJJADWRM-YVLHZVERSA-N	435.867	5.979	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)c2c(-c3ccccc3)n(CC)c3ccccc23)cc1	13129208	QUGJGHTYLFNQOQ-FCDQGJHFSA-N	434.539	6.907	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Cl)c1Cl	16440439	LQUZTWMAWBYJBA-JLHYYAGUSA-N	428.231	5.707	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C	28216483	TWBXRDFKCJRZPR-YMSFFTPVSA-N	440.012	5.995	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Cl)c(Cl)c1	59435255	ZZAQFXWCEICXHA-LSFURLLWSA-N	438.654	5.579	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	96576880	MXZVHXYERIKSSQ-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1	408542702	NJSCYIJXUKTZLX-ONUIUJJFSA-N	448.522	6.436	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408579569	HZDDBGWDZFJNRH-NTUHNPAUSA-N	437.120	5.841	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1C#N	408747107	ZPEOLDCHVWZTHD-UCQKPKSFSA-N	437.499	5.390	50	40	IKGB	
Cc1cc(/C=N\NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1N1CCCC1	408851212	WKUCZRUKEXRCGS-MYKKPKGFSA-N	440.758	5.085	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cc(C)cc(C)c2)cc1	408898540	MFJKJGNRJMOYQI-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1cccc(Br)c1	409202622	SFOXDUQNJUSDED-BHGWPJFGSA-N	437.215	5.492	50	40	IKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	409386946	HVQLWJPRYMFVLL-LSDHQDQOSA-N	448.309	5.456	50	40	IKGB	
Cc1ccc([C@H](Br)[C@H](Br)COc2ccc([N+](=O)[O-])cc2)cc1	825927	XPWVDMWHBKPRFC-CVEARBPZSA-N	429.108	5.182	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)o2)cc1	855536	RCFHASXDSSTBLE-CJLVFECKSA-N	436.467	5.822	50	40	IKGB	
Cc1n[nH]c2c1[C@@H](c1cc(Cl)ccc1OCc1cccc3ccccc13)C(C#N)=C(N)O2	1086201	ANUDCVNLSUCGMJ-QHCPKHFHSA-N	442.906	5.322	50	40	IKGB	
N#CCC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	1410472	OBUAXQAMHJYLCA-MTDXEUNCSA-N	449.470	5.083	50	40	IKGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1	9281886	YBJXVIUFYKGKQY-KRWDZBQOSA-N	427.291	5.000	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCC	15018684	GYYCUCIOAUAGGJ-VULFUBBASA-N	436.895	5.801	50	40	IKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	16406805	VWEDLMPDNMQJRY-WUXMJOGZSA-N	438.075	5.193	50	40	IKGB	
Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3cccc(Br)c3)cc1)C2	59501500	FBBNWHZKNWUJJW-LGJNPRDNSA-N	448.364	5.350	50	40	IKGB	
N#CC1=CN2[C@@H](C=C1)[C@@H](C(=C(C#N)C#N)C1CC1)[C@H](c1ccccc1)[C@H]2C(=O)c1ccccc1	100709837	KPMYTGOXYTXWGB-VNNZRSTGSA-N	442.522	5.053	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)c1C	408810639	UIUFFIZMODRMDI-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1	408867304	KLYXPIHQRCHQEB-SRZZPIQSSA-N	445.906	6.002	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	408883738	WHICMMIQMZIAII-QGOAFFKASA-N	433.305	5.713	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	409114353	GXDOEOUAJDNCIF-GTPWMTBTSA-N	438.980	5.858	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	3032027	AQBDHMPJOZNZQW-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc(Cl)c1	3669451	NXNQQALUQPERFW-COOPMVRXSA-N	439.902	5.174	50	40	IKGB	
Cc1ccc(C)c(Oc2coc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)c1	6162617	QALPDOZGXFZLFQ-DEDYPNTBSA-N	437.451	5.715	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C	19877325	JIMHEYAKURQMJQ-AQTBWJFISA-N	433.895	5.080	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	33671487	CJOXSLSJJZSKSI-QNGOZBTKSA-N	440.886	7.045	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1F	59266462	CUQQYOUFICFHEN-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
N#C[C@]1([C@@H](c2cccc3ccccc23)c2cccc3ccc4ccccc4c23)CC(=O)OC1=O	104044674	AZDGGPQPYIOIOZ-JDXGNMNLSA-N	441.486	6.262	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C)cc1	408726671	UTNMDPVBLFYAFQ-UCQKPKSFSA-N	426.516	5.745	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408727314	ZVDAUQKMPYAOQH-UNOMPAQXSA-N	431.404	5.155	50	40	IKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1	408749156	DVNHLGCGOFQRNP-QRQIAZFYSA-N	444.918	5.295	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1	408924644	NILFHLQRAGSBLH-KGENOOAVSA-N	425.919	6.446	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	409392641	NAFBJEHVUFDDBQ-NVMNQCDNSA-N	428.290	6.784	50	40	IKGB	
O[C@@H](CBr)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12	1593715	PYXSNCNWGADJEH-QFIPXVFZSA-N	438.752	6.651	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C)cc1	3217457	MWCAGJPFMWBMSO-BUVRLJJBSA-N	426.516	5.196	50	40	IKGB	
Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1	9445822	GPCASWIVGUQSKY-CPNJWEJPSA-N	446.373	7.011	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Cl	59535874	IAJHTZFDYFKVFI-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)Sc1nc2ccccc2s1	107746924	KOADFABKJPJOIB-GXDHUFHOSA-N	429.353	7.520	50	40	IKGB	
Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c(C)c1	408543313	QDZJLMGRJOHMSI-UUYOSTAYSA-N	427.504	5.263	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	408582390	NQKJFMGNIQJLFA-KGENOOAVSA-N	428.488	5.094	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408692635	RGKAQBAQSXTHKD-KBKYJPHKSA-N	433.314	5.102	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408776778	RHOLJDQGSHNTCL-HMAPJEAMSA-N	431.511	5.244	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408849786	YZWADLZGAMZTOJ-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1	408865671	DPTWSLCHPYZXFH-MWAVMZGNSA-N	443.566	5.434	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1ccccc1Cl	408886386	KKIHUIWEUNKJBE-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccc(Cl)cc1Cl	409020680	RZWWYSYGXATHMD-SSDVNMTOSA-N	437.124	5.311	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1	409366614	XCLDQMRLXYXPKV-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc(Cl)c1	409377604	IQZFHVUARLEZEB-ATVHPVEESA-N	449.869	5.042	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3092511	GMTVCAWHSITDGR-UVHMKAGCSA-N	438.314	5.969	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1	3242693	ODDWPULRIGOMGO-PXLXIMEGSA-N	442.515	5.527	50	40	IKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	8763838	CVEYNUUCVFUSCG-OVCLIPMQSA-N	447.869	5.952	50	40	IKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)cc1[N+](=O)[O-]	8817913	VUTOFMPTXHPCMV-GXDHUFHOSA-N	426.885	5.665	50	40	IKGB	
COc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	14408749	AUBCIZMJUSPRMS-VULFUBBASA-N	443.330	5.274	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)c(Cl)c(C)c3)o2)cc1Cl	67192505	MTAJMTFGNHSWMA-OPEKNORGSA-N	431.319	5.708	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)cc1	223577012	IXICHHLCAZKINV-BJLUOBIUSA-N	431.580	6.052	50	40	IKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1Br	408772078	ANJUQLZZOPCNKM-BOPFTXTBSA-N	441.325	5.347	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccccc1	408792840	CODBWDKYUKZXMS-LDADJPATSA-N	446.337	6.542	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408798486	FODULGFIKWJESY-CJLVFECKSA-N	441.575	6.254	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	408819522	XOPPUOHGCUXBFN-FOWTUZBSSA-N	437.293	5.572	50	40	IKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)cc1C(C)C	408847042	LDIVLWQXUOKVOQ-LICLKQGHSA-N	427.342	5.744	50	40	IKGB	
COC(=O)c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408849730	YUEAUBKKQJERDW-VEILYXNESA-N	437.499	5.003	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408857781	WOUYWZZHMRMXCL-RGVLZGJSSA-N	426.318	7.393	50	40	IKGB	
O=C(NN=C1CCCCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408860584	ZFMOOWDSZRXUCG-UHFFFAOYSA-N	431.624	5.971	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1ccccc1Br	408872960	PXRDXOOHIWEHGC-DEDYPNTBSA-N	447.332	5.594	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)c1	408962579	ZMGWURKJSWGDCL-HAHDFKILSA-N	427.548	5.909	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1	409056594	MWKTYXPVWOTSAR-MZJWZYIUSA-N	440.902	5.529	50	40	IKGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1	1777108	VFOLMPXFZBPZGI-SFQUDFHCSA-N	427.843	5.626	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC	1801214	DXPJYBXAELKWHW-JLHYYAGUSA-N	432.332	6.111	50	40	IKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	3200558	GJAMVEANKVNDQY-RWPZCVJISA-N	438.918	6.109	50	40	IKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	3248962	FPBLDTMEDCGLEJ-XDJHFCHBSA-N	438.462	5.233	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl	3663672	MAIQBEZTISDOOW-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)c1	8811108	TYLKAOGLLHPPLP-VULFUBBASA-N	438.911	5.009	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)c(C)n1-c1ccc(Br)cc1	9539435	VLUOZYJJTHVVTI-QGOAFFKASA-N	436.357	5.239	50	40	IKGB	
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)[C@H]1CC(C)C	27026692	HWTLTXFAZYSULK-QGZVFWFLSA-N	447.398	5.229	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2F)cc1	33500118	JNRNVXAZPHHGCR-KQWNVCNZSA-N	440.493	7.016	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c(C)c1	34737790	WHMWCPYHBCFNSJ-DHRITJCHSA-N	446.532	5.598	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	98087429	HVUVNBMLXNBGOU-AQTBWJFISA-N	446.337	6.542	50	40	IKGB	
CCCCCCC[C@H]1CCC/C1=N/NC(=O)c1ccc(N(CCCl)CCCl)cc1	104048533	KSBXSPHUDZRVJZ-HMWBEYIWSA-N	440.459	6.217	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	108926515	MMUUMFCTZAMXQR-BOPFTXTBSA-N	447.362	6.507	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccccc3Cl)cc21	208251341	NUBHTNPHKAZXPW-QTYGBZKPSA-N	434.367	5.245	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408734198	FQZOWRVGKNWOKQ-FYJGNVAPSA-N	427.891	5.645	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	409072908	WICVXSBFSQKPTP-SFQUDFHCSA-N	449.919	5.357	50	40	IKGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)c1nc2ccccc2o1	409075789	YBZWGEFBIKZVBM-VBKFSLOCSA-N	436.876	5.313	50	40	IKGB	
N#C/C(=C\c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1	4182067	YBFVUPNZEMWMPG-XDJHFCHBSA-N	431.404	5.025	50	40	IKGB	
CCCCCC/C(CCCCCCC/C(CCCCCC)=N/NC(N)=O)=N/NC(N)=O	4812469	TZGBZVDMWQZFKR-QRNPONQASA-N	438.661	5.707	50	40	IKGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCCOc1cc(C)cc(C)c1	9659697	DKFCKGRRHVREOJ-OVVQPSECSA-N	447.535	5.316	50	40	IKGB	
N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1ccc2ccccc2c1	16545837	COBIQHBMTVWMMZ-CHHVJCJISA-N	427.685	5.507	50	40	IKGB	
O=C(N/N=C/c1ccccc1F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240619	KCJHPLSZRXZJGP-VUTHCHCSSA-N	429.539	5.044	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1Br	20760092	NAXZQWOPWPPUHC-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1	33592244	WZCJLUGZIPSMBB-DHRITJCHSA-N	432.867	5.015	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	208464970	RQKGJXJOFKGDRS-BRJLIKDPSA-N	432.351	5.154	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1	408579056	CTYQZZXZNODNAT-LDADJPATSA-N	444.339	6.134	50	40	IKGB	
CCCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408583004	QSIFNQOXTZRFKO-MHWRWJLKSA-N	449.288	5.161	50	40	IKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1	408691930	YLVRTHAWBWZNGV-NDENLUEZSA-N	440.459	5.139	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OC(C)C	408810269	IMTGTTHGHSJJHL-LICLKQGHSA-N	443.341	5.489	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2ccccc2o1	408852749	NACMIANTPGCRFP-VYYCAZPPSA-N	427.891	5.853	50	40	IKGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408872860	KGQVEJQXNPLLJO-AUEPDCJTSA-N	446.363	5.182	50	40	IKGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc(Cl)c(Cl)c1	408888784	AQMUKULHXRPVQF-BRJLIKDPSA-N	431.250	5.116	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c1	408897707	SQUIQPZZWGZGHU-CJLVFECKSA-N	436.486	6.412	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(C(C)C)cc1	408904855	PNSYJRORKSMIAX-WGARJPEWSA-N	444.491	5.636	50	40	IKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c1	409361594	HQKIGVDTPBXNTM-ZMOGYAJESA-N	425.326	5.327	50	40	IKGB	
N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	8400485	LIXJOKSHRRNWIW-RAXLEYEMSA-N	440.311	6.200	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1oc2ccc(Br)cc2c1Cl	16750561	RSLNUOZZCCVYLL-DHZHZOJOSA-N	431.673	5.403	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	33741972	QUHRXZVPIQHBQY-ZDLGFXPLSA-N	425.271	6.545	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)ccc1Br	97499302	HRRRLKKGBCBVSL-UYRXBGFRSA-N	434.337	5.711	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)c1	102617439	FOLQCQQAZGUSJH-NRFANRHFSA-N	435.574	5.698	50	40	IKGB	
Cc1ccc(NC(=O)NC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	103437268	VBXJZZLVASBZIH-UHFFFAOYSA-O	425.492	5.068	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl)[C@H](C)CC(C)(C)N2C	208209994	HFRMIGWWIVISPH-RNSPVEPZSA-N	448.394	5.553	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408588475	WKVPSMQBFOXMCL-PXNMLYILSA-N	436.169	7.772	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1	408798781	WXGBIHZEFWAUEY-XMHGGMMESA-N	433.305	5.574	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCC#N)cc1	408859357	WIOOJBJJHYSMEM-CEUNXORHSA-N	434.499	5.119	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(C(=O)O)cc1	408993919	XNDQWNLPHWENSH-MOSHPQCFSA-N	446.890	5.471	50	40	IKGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1	409191746	MCYFWUUXDOBVSV-FOWTUZBSSA-N	440.927	5.521	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Cl	409321675	UPDHEXAVKZIBDR-CFRMEGHHSA-N	437.323	5.120	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)Nc1ccc(Cl)cc1	1510257	QQZDCMAVNVWKOL-ACCUITESSA-N	427.685	5.908	50	40	IKGB	
N#CC1=C(N)Oc2cc(/N=C/c3ccc(Br)cc3)ccc2[C@H]1c1ccccc1	3073273	PWJRMRAKNAKKKG-QESWDSMOSA-N	430.305	5.418	50	40	IKGB	
CC(C)[C@]1(Cl)CC[C@H]2[C@](Cl)([C@@H](Cl)C[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)[C@@H]1Cl	4403854	CUPOGARAUNRNNM-VXUWONBCSA-N	444.270	6.523	50	40	IKGB	in-vitro
COC(=O)c1cc(N(CCCl)CCCl)ccc1/N=N/c1ccc([N+](=O)[O-])cc1	4773885	FNMYMDSIPBZIIM-QURGRASLSA-N	425.272	5.081	50	40	IKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	9075301	XPWTZCCEGPDUAY-HMMYKYKNSA-N	431.561	6.162	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(C(F)(F)F)cc1	12956888	TYISZCITZNJHNX-UVHMKAGCSA-N	432.829	5.702	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C#N)c2-c2ccccc2)cc1	32138987	CWXFYBNFNVLQOO-UHFFFAOYSA-N	443.506	6.419	50	40	IKGB	
N#CC(/N=C/c1c(Cl)cccc1Cl)=C(/C#N)NCc1sc(Cl)nc1Cl	33374261	RMJFTIMMRBAMLB-GIBWLZBGSA-N	431.135	5.224	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	33854854	OKWIUNHJAFJXIQ-CJLVFECKSA-N	438.914	6.618	50	40	IKGB	
C=CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	34869811	IJMRGVZCRFRVJZ-GDNBJRDFSA-N	441.272	5.105	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1	40007574	UTKLGRCTEOAWED-SDLXJUDFSA-N	446.934	5.712	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1	59472849	BAYJFBJVMAYAMA-MZJWZYIUSA-N	438.358	5.316	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)Sc1nc2ccccc2[nH]1	408599224	QEVVJCBAPSDNGR-CPNJWEJPSA-N	440.959	6.876	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2ccccc2c1	408599236	QLSJWAZXNIFEJX-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1	408708950	VOWGLYDNDFIAHF-MZJWZYIUSA-N	448.954	5.406	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1	408780206	VEZKNRBNVGVLBJ-YBEGLDIGSA-N	444.749	6.600	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1	408798908	XFVZSKKXYYNAIF-OEAKJJBVSA-N	438.914	6.618	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3Cl)c2C)c1	408967975	TVKGYLUDZJEORE-QFEZKATASA-N	438.915	5.080	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(C)cc1	409189489	PQSWWRNMECNXBA-HAHDFKILSA-N	430.548	5.277	50	40	IKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1sc2ccccc2c1Cl	1087135	DTANOCWHJLXEOH-SECBINFHSA-N	443.739	5.090	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	6075475	IBVIUXFIMDWRBS-WDRNETGYSA-N	449.598	6.241	50	40	IKGB	
N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(Cl)c1	8917319	NEPACKQWJSLAMD-OAQYLSRUSA-N	437.282	5.431	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)Sc1nc2ccccc2s1	33647143	VCNLXWPCADGGRL-AQTBWJFISA-N	434.973	7.185	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccccc1	408542259	INZZLIXMBIFTFV-XYGWBWBKSA-N	439.511	6.155	50	40	IKGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408747388	NEKMGHFVTJSYQN-WDZFZDKYSA-N	426.097	5.310	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1C	408796665	PKLHKIRQAFWKMD-WSDLNYQXSA-N	441.918	5.953	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1O	408796993	QOMZARTXCJPQJJ-XDHOZWIPSA-N	448.906	5.569	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NC1CCCC1	409190530	YZRHXZBTIILORF-SXGWCWSVSA-N	433.310	5.677	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Br)cc1	2176524	XQBNOLMTZSSKLU-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1ccc(N(CCC#N)C(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	6149958	ZBMORHKIBRPARM-SDXDJHTJSA-N	426.432	5.017	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC(C)=O	12140003	BGVIJMPVQUHMPM-LZYBPNLTSA-N	440.908	5.470	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Cl	17024094	HLJHLOHQXUXNOF-BRJLIKDPSA-N	446.721	5.663	50	40	IKGB	
N#C/C(=C/c1ccccc1Cl)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1	36125465	YGBSHTMIICLXBQ-AUWJEWJLSA-N	425.296	6.287	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(O)cc1	57341852	HGDHOTQQWBALJD-WPWMEQJKSA-N	427.529	5.387	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1C	59137453	BQVHGIDPOCBIQK-NDENLUEZSA-N	437.465	6.275	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c(C)c1	59201052	YQQQLGWPYGIZPB-UYRXBGFRSA-N	434.898	6.221	50	40	IKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1cccc(Cl)c1	408684281	OPPHGCRBCDRGNB-FPOVZHCZSA-N	443.724	5.885	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)cc1	408789866	OBQQZYSICJQNIN-BKUYFWCQSA-N	449.348	6.098	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1C	408790908	RYPVVMMIEHWFER-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccccc2)c1	408803106	LGZXVDSPSCWUSF-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2cccc3ccccc23)c1	408806719	BJSZUCINLWHGLU-LFVJCYFKSA-N	448.522	6.282	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC	408821228	DZSWQBAWKUZOAA-KGENOOAVSA-N	428.488	5.137	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1	408900108	SSDQEHXGNVXKBA-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408981371	AZAFCEKGQQFQKJ-UNOMPAQXSA-N	448.910	5.818	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccccc1	409070158	XUDZGYHSZHIWMU-XQNSMLJCSA-N	436.511	6.598	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1Cl	797874	WWVDVDCFFOKOMS-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
COc1ccc([C@H](Br)[C@@H](Br)C(=O)c2ccc3ccccc3c2)cc1	3119493	NPXXZGDLGIEBSC-RBUKOAKNSA-N	448.154	5.931	50	40	IKGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	6056785	PWRXSRLLGRSFFP-JLPGSUDCSA-N	425.528	6.367	50	40	IKGB	
O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C\c1ccco1	36624814	ZQDZXUGYTXAMTB-BRPDVVIDSA-N	433.511	6.109	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)c1	102617436	FOLQCQQAZGUSJH-OAQYLSRUSA-N	435.574	5.698	50	40	IKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C#N)O[Si](C)(C)C)[C@@H]3CC[C@@H]2C1	195775549	HFIRUZWOLLSWDK-UPMLCCBHSA-N	431.693	6.075	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc2ccccc2c1)c1ccc(N2CCCC2)cc1	408675861	BWYWEFMSWPCYPR-TWKHWXDSSA-N	449.554	5.783	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C)cc1	408726005	OMDAKTWBSXGPMT-STZFKDTASA-N	428.488	5.224	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	408748546	DVQPBHLIRJQPGO-WGOQTCKBSA-N	425.444	5.091	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)c(C)c1	408775767	KNXYQYGFXRVKBB-UCQKPKSFSA-N	427.548	6.044	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccccc1Cl	408792191	JHFFLMHUOPFAAZ-UKTHLTGXSA-N	427.243	5.497	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)cc1	408799948	LXHWXRXZKQKOOH-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1	408890043	MZPBSMIKEBMGDI-DTQAZKPQSA-N	446.288	5.016	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(C)cc(C)c1	408891606	TYBDIHJRRKPFLY-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)ccc1Br	408904386	IRUMYWTUIDNHOI-JJFYIABZSA-N	432.705	5.827	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1	409233761	WUKISBJILMHNDG-FYJGNVAPSA-N	425.463	5.383	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1	409360142	LNTDRVUAAUUWES-MYYYXRDXSA-N	437.337	5.029	50	40	IKGB	
CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1	409368464	XDVIWSLKKJGCQN-JOCHJYFZSA-N	435.593	5.315	50	40	IKGB	
Cc1ccc(C(=O)NN(C(=O)Nc2ccccc2)c2nc(-c3ccccc3)cs2)cc1	1415216	XFFZRMOHOGFHJD-UHFFFAOYSA-N	428.517	5.502	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[nH]c2c1	15133981	JSNUXNVLJVRRKB-UKTHLTGXSA-N	449.264	5.866	50	40	IKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc2ccccc12	15231251	ADOUFQJQDOSFNF-UNOMPAQXSA-N	435.321	5.176	50	40	IKGB	
CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)[C@H](Cl)c1ccccc1	20568264	FACLABHYUAMSDP-BVAGGSTKSA-N	438.398	7.141	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(F)cc1	33700388	BHAFUQGUYPDGDJ-XKZIYDEJSA-N	444.506	5.884	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)cc1	58927505	MQASTNDFQFGEIF-MFKUBSTISA-N	425.985	5.688	50	40	IKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1cc2ccccc2o1	83252545	ULIKSXLPUFEWJB-QFEZKATASA-N	449.304	5.538	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc4ccccc34)cc21	208250042	MNSJYHIFWVAVSD-NXZPZOCRSA-N	449.982	5.744	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Br)cc1	408526246	BELNNJVRBFHBTF-KQWNVCNZSA-N	440.340	7.245	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OC(C)C	408807774	HPABJXKKZMBPLC-LICLKQGHSA-N	443.341	5.489	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408844708	LAUFCHIQTUWULV-YVLHZVERSA-N	444.840	6.529	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(OCC)c2)cc1	408864966	BHZHULCJSXUCTF-PXLXIMEGSA-N	444.506	5.760	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408884650	YQISGNUEUWFFHQ-VCHYOVAHSA-N	435.842	5.524	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)cc1	408922774	GLUAHCQQXYMAAV-LFIBNONCSA-N	444.749	6.600	50	40	IKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccn2-c2ccccc2)cc1	408935453	DWMBAMSQPXKNOF-OFWBYEQRSA-N	444.538	6.007	50	40	IKGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408982501	HKZFEIIBUZRLLJ-AUWJEWJLSA-N	449.732	5.364	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409255674	MRPPFLXZWRJFLN-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	409265501	IRDGYHJKBJILTJ-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccncc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409368998	WSELUEUZBQFKLQ-UVHMKAGCSA-N	437.330	5.464	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC	1453710	QETNSNBOWLPEEE-QGOAFFKASA-N	432.501	5.146	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC	1905774	GCLNMWZIFNNMQA-XDHOZWIPSA-N	433.533	5.077	50	40	IKGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	2906254	OYOAKVLFOIARGX-PTNGSMBKSA-N	439.338	5.508	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC	4006492	FSGKHCWZBYLSIV-OQLLNIDSSA-N	427.323	5.654	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(C(F)(F)F)c1	32194057	CZUGLFLOAJRTLW-KIBLKLHPSA-N	427.209	6.036	50	40	IKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1	33407241	YOMSZUGUEKSMTG-ODLFYWEKSA-N	435.277	6.000	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1	33738854	QWJMLWRPFOIHKB-DHRITJCHSA-N	446.532	5.598	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1	59232817	HBRZBALDNXZHTJ-KGENOOAVSA-N	446.934	6.172	50	40	IKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1	408579952	LXMMJTSATZCACS-WUXMJOGZSA-N	427.523	5.938	50	40	IKGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1	408707272	IVDLZGGTOCZDAU-MZJWZYIUSA-N	448.954	5.406	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1C	408800419	PDMKTSZYPVVCOC-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)NCc1ccco1	408857319	FVEBPLLQYOTMPY-LCYFTJDESA-N	429.295	5.010	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccccc2F)c1	408896607	SJPBKXDCJUDEIB-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br	409046796	MFQYEUCLDCVQSU-KPKJPENVSA-N	447.130	5.551	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1Cl	409050827	ARBSCSIPIHCNCW-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
O=C(N/N=C/C1=C(Sc2nc3ccccc3s2)CCCC1)c1cccc2cc[nH]c12	3179387	LWOXQHOKEHOEGF-AFUMVMLFSA-N	432.574	6.114	50	40	IKGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc2c(c1)Nc1ccccc1S2	13096563	LJICHYAHGQHFIH-MTDXEUNCSA-N	445.588	6.246	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1	59232835	YJUHWZSJDYUICS-VBKFSLOCSA-N	429.314	5.182	50	40	IKGB	
CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)NC2CCCCC2)cc1	100845963	RUJBHYJXTCWSQX-HPNDGRJYSA-N	429.649	6.952	50	40	IKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1cccc(Br)c1	226327583	SWYUDWFFVWFQGJ-UHFFFAOYSA-N	448.538	5.568	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1	408743873	CCVTVFBTRFASTA-XFXZXTDPSA-N	428.231	5.707	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)c1	408746363	SCIYWLGBFWWXEL-ZHZULCJRSA-N	432.907	5.863	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)cc1OC	408791729	BOFUDHQPYLNFSE-WUXMJOGZSA-N	425.699	5.600	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	408807561	DCRKCBACLQTJEI-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(Cl)c1	408879441	GEMORFXBVOXZNW-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C)c1	408921859	CPKMRVASGBSKQT-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2)c1	408947867	DHYLZTCRBBUFEA-JLPGSUDCSA-N	435.527	5.321	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1	409041944	LJBFVDDUBAINLN-VXLYETTFSA-N	439.298	6.853	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1	409119127	QUBZTBXHFABMCA-WGARJPEWSA-N	448.548	5.233	50	40	IKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1Cl	13765761	WFHNCWBWZSPWDW-RCCKNPSSSA-N	427.960	7.416	50	40	IKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CSCc2ccccc2)cc1	16192926	OBRWEEDZCDTUFO-DHRITJCHSA-N	429.372	6.191	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	408537616	GIQRJIXLFVVRGG-SFQUDFHCSA-N	430.907	5.992	50	40	IKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c3ccccc32)c1	408541518	GNUICIDAGAZNLA-BKUYFWCQSA-N	435.483	5.242	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc(C(=O)O)c1	408551990	QPIWIZRQLRLFSW-MXAYSNPKSA-N	435.479	6.190	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OC	408767677	ZVQWFOLZWCVJIY-QPEQYQDCSA-N	435.705	5.055	50	40	IKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c1	408791073	STASBWOBDGIURW-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc(C)c(C)c2)c1	408814779	QCAQIGCUSCLNIE-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Cl	651048	PQDRDYMNYWYIEN-OAQYLSRUSA-N	440.952	5.358	50	40	IKGB	
CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@@H](c2ccccc2)C1(OCC)OCC	8445506	HFLTWLVSNNAADZ-HSZRJFAPSA-N	437.536	5.231	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1	9359281	WYFRPXFNMPZQQY-KRWDZBQOSA-N	441.318	5.390	50	40	IKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1	9445033	ZZKXTKQXEYRIGL-GXDHUFHOSA-N	430.758	6.511	50	40	IKGB	
N#CC1=C(N)Oc2cc(/N=C/c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccccc1Cl	16449086	OUMKBIOHDDUFAZ-QCQFVGOUSA-N	430.851	5.217	50	40	IKGB	
O[C@H](CBr)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12	16943283	PYXSNCNWGADJEH-JOCHJYFZSA-N	438.752	6.651	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1	33738452	BCQCFRSLHKFPLU-NDENLUEZSA-N	445.431	5.545	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)[nH]c2c1	34701662	KNFTZRSAOBFGLY-PDGQHHTCSA-N	442.906	5.606	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccs1)S(=O)(=O)c1ccc(F)cc1	96792446	LZDNURIUUURKIE-BKUYFWCQSA-N	449.532	5.137	50	40	IKGB	
CCCCCCCCCCCCCCCC(=O)NNc1nc(-c2ccccc2)cs1	101392875	PBKBPVSYURHESD-UHFFFAOYSA-N	429.674	7.735	50	40	IKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c3ccccc32)c1	408543717	SIPPBGDAZOGDDI-JCMHNJIXSA-N	449.510	5.330	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1	408581554	XWJXIFGBPXAROR-VXLYETTFSA-N	442.317	7.174	50	40	IKGB	
Cc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408727220	VEDBJGXGSDIZFL-VUTHCHCSSA-N	430.511	5.765	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)nn2-c2cccc(C)c2)cc1	408727698	XBURCIUITNHBLD-JVWAILMASA-N	428.923	5.573	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2cccc(Cl)c2)c1	408804716	GWEHCNGXDZBAQQ-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2cc(C)cc(C)c2)c1	408890397	SLXVIMLGPHFSML-CIAFOILYSA-N	446.934	6.090	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408898978	YVKPLUONXVVTTJ-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408993014	BGVOVXZAFSFUMP-ZMFRSBBQSA-N	436.968	5.323	50	40	IKGB	
CCCCCOc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3F)c2)cc1	2166086	JGWKMUYFBRLXHH-MTDXEUNCSA-N	447.510	5.411	50	40	IKGB	
O=C(N/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccccc1	3026201	YYPVNFLWSZUJJA-BXVZCJGGSA-N	447.519	6.108	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccccc1	4182074	XRCHQJBUWBUYLD-LTGZKZEYSA-N	430.460	5.515	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151975	DRSOFINBMGFYQY-LFIBNONCSA-N	443.484	5.002	50	40	IKGB	
CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1	16806576	UEXPVXQKHIBLOG-JLPGSUDCSA-N	448.526	5.074	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)cc1	33701507	YWBPZMLLSCOPEQ-OGLMXYFKSA-N	425.532	5.582	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCc3ccccc32)ccc1OCc1ccccc1C#N	41074227	ATJGYIJSCSMUJB-BUVRLJJBSA-N	449.510	5.032	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	59334485	LOVXCICYMHLHDL-STZFKDTASA-N	433.939	5.322	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Cl)c1O	59335837	XRKPKZCHTAXEKF-JYRVWZFOSA-N	435.705	5.061	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)cc2)c1	408780179	URUUVSAGAYUGKE-UCQKPKSFSA-N	437.499	5.470	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1C	408852162	IWUHLAORJMDMAE-OEAKJJBVSA-N	428.507	6.184	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1F	408882378	MWXHGZWVPAKXFM-YBFXNURJSA-N	439.317	6.577	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	408966031	YSDDTJOPUVBVTO-UVHMKAGCSA-N	432.829	5.702	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1sc2c(c1C#N)CCCC2	408995600	KEJXITAJYLKBEY-UYRXBGFRSA-N	432.593	5.262	50	40	IKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	409018522	MNIDKZPTZKTDGU-SKBUGYKVSA-N	435.307	5.689	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(F)cc1	409052420	HFRNNBBLVBQKQB-LGJNPRDNSA-N	426.875	5.139	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409141721	WNCGEMDDOMNAQY-JOCHJYFZSA-N	439.298	5.496	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)cc2c1	409186689	GNMNGVUCXRVPBH-DICXZTSXSA-N	429.520	5.620	50	40	IKGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1436912	MAKKMINKUYGXNH-QHCPKHFHSA-N	446.982	5.347	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccc(Cl)c(Cl)c3)cc2[C@H]1c1ccccc1	2257020	YYVZQDODQOFMRC-FBXLXJJESA-N	436.298	5.668	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	8989819	RVWYRFXIXFYCAF-QQXSKIMKSA-N	441.443	5.051	50	40	IKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	9096142	SVEQCENMDYZVBX-BASJRXCESA-N	431.363	5.849	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	11853137	KUXXQEJYHIKSNN-KAMYIIQDSA-N	449.885	6.858	50	40	IKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1c[nH]c2ccccc12	13133432	OMUNCMNLGJWBIB-WKULSOCRSA-N	445.482	5.531	50	40	IKGB	
O=C(c1ccc(Br)cc1)[C@H]1[C@@H]2[C@H]3C[C@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1	13597932	IQANXENRXCCHTF-ODHIVMQZSA-N	432.745	5.084	50	40	IKGB	
Cc1ccc(C)c(OCCCOc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)c1	13898216	RDYDCSNKFVJRIY-WPWMEQJKSA-N	436.939	5.569	50	40	IKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	16693139	TYOBTHNCFDOUQV-PCVBMWGJSA-N	438.527	5.823	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)[C@@H]3C[C@H]4CC[C@@H]3C4)c3ccccc3n2)cc1	17095508	MCTCGGSPWMSDDI-AOSNRRPXSA-N	427.548	5.842	50	40	IKGB	
C/C(=N\NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(C(C)C)cc1	20550173	SZTLJAPEFBDYOB-FSJBWODESA-N	449.801	6.595	50	40	IKGB	
CCCCCCOc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	32703897	YIAICWICZYZEBB-ZGDJFVGJSA-N	444.575	6.230	50	40	IKGB	
CCCCCCCCNC(=O)CCSSCCC(=O)NCCCCCCCC	72399755	NQSLUQLRQBLHJD-UHFFFAOYSA-N	432.740	6.101	50	40	IKGB	
BrP(Nc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1	104111278	AUHNMRCNHUDXSK-UHFFFAOYSA-N	434.317	5.853	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1F	207056166	VPORUJDXECRWAT-GFHXCNCHSA-N	430.479	5.198	50	40	IKGB	
Cc1c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1	408591946	WPPIIDJMRVBGJH-RWPZCVJISA-N	433.914	5.483	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(C)cc1	408769426	UOTRHTPUPBNLEB-JCMHNJIXSA-N	441.531	5.194	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc(Cl)c1	408802668	FWUDABUCFWJKIN-WOJGMQOQSA-N	434.879	5.179	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	408873324	SXFUTORLCSGUOV-OQLLNIDSSA-N	448.828	5.315	50	40	IKGB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(/C#N)c1cccc2ccccc12	409325083	XADPOFNUYQBOLP-YSMPRRRNSA-N	433.595	7.770	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCCC1	409368260	QMXJDVNKEJFQHG-GZTJUZNOSA-N	445.744	5.211	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(F)cc1	949378	KGZFAGMXTSITTC-FMIVXFBMSA-N	434.776	6.304	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1	9261672	NXIUQJBGCZSEOD-HMMYKYKNSA-N	439.490	5.691	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCCSc2ccc(Cl)cc2)c1	16157721	WYZRDQMMCDJLAM-CAPFRKAQSA-N	448.975	6.365	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	40961689	IVXDTBZFYQCBCB-DHRITJCHSA-N	445.371	5.815	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl	59535995	NLIUSEYJSPIZMN-LGJNPRDNSA-N	444.318	5.130	50	40	IKGB	
N#C/C(=C/c1cccc(O)c1)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1	102846121	XJCAZSFLGPDJGJ-ATVHPVEESA-N	429.526	5.894	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	408567604	OVOGQYDFYMDVKM-VULFUBBASA-N	429.347	6.244	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408807422	CUOGFUALRXINLW-CPNJWEJPSA-N	443.909	6.336	50	40	IKGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CSc2ccccc2)cc1	408829882	MJPGUEVZHNKJIF-YDZHTSKRSA-N	425.897	5.304	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1	408881314	KPUCALKRLCUJOJ-UDWIEESQSA-N	434.898	6.221	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(F)c1	408892414	BCDRUZLGKHRJCL-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc2ccccc2c1	408900872	YJAJTPPQWXXUDL-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)o2)cc1C	408993873	XQGQIKRVZYHUJK-XMHGGMMESA-N	425.513	6.142	50	40	IKGB	
CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cccc(C)c21	409029768	BFEXTBPSTVQOCD-YKQZZPSBSA-N	446.554	6.257	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	409246923	LBMUEOWDLLPHFZ-HUBZVCNYSA-N	425.576	6.221	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	409366734	XUJGUPLJSSCSAR-WGARJPEWSA-N	427.331	5.574	50	40	IKGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	948054	NOTPKTXPPLQWHS-FYJGNVAPSA-N	439.920	5.266	50	40	IKGB	
Cc1cc(C)cc(N(C(=O)CCl)c2nc(-c3ccc(Br)cc3)cs2)c1	3886806	YOJJLCDFNMBGOE-UHFFFAOYSA-N	435.774	6.093	50	40	IKGB	
C=CCC[C@]1(C)/C(=N/NC(N)=O)CC[C@@H]2[C@@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21	5230374	FKDQTWHEENTAQA-TXHQANAPSA-N	443.720	7.298	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccccc1F	28216040	PEVVHIBKZGXPGR-BRJLIKDPSA-N	429.948	5.270	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	59922152	BLMKOLQYSINQKL-RWPZCVJISA-N	442.437	5.447	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1F	207156555	JFSGONQGLTWAPE-IQJJTXKVSA-N	444.506	5.588	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Cl)cc1	408579052	CPZDFBBIAABDKF-LDADJPATSA-N	444.339	6.134	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)c1	408742886	TWRWPSRCJATMCY-KGENOOAVSA-N	428.488	5.219	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408797215	QLAXZMMQLRWLMV-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1C	408946620	PERHMDAYSRJCRP-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	409226389	VPLLWZOGTOEVRH-ROTLSHHCSA-N	447.705	5.630	50	40	IKGB	
Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1Cl	650860	SAEMEDCZTTUYFT-FQEVSTJZSA-N	444.915	5.243	50	40	IKGB	
Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c(C)c1	7386583	CAMKJXGQFVLEJM-OGLMXYFKSA-N	428.580	5.384	50	40	IKGB	
CCCCCCOc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1	12563851	JRFAXTNWEJERQZ-VFCFBJKWSA-N	430.548	5.842	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N/c3sc(/C(C)=C\C#N)c(C)c3C(=O)OC)ccc21	15223889	YMQODADURRWCTK-YMXHBENOSA-N	441.556	6.648	50	40	IKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	17286334	FEXOJXGWZMAZSL-SFQUDFHCSA-N	433.489	5.082	50	40	IKGB	
CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CCCCCCCCCC2)[C@@H]1c1ccccc1	35193607	YOGAOZLYRMFDBV-RPLLCQBOSA-N	431.580	5.804	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1Cl	35315181	UBVVYJXVUROISU-WGARJPEWSA-N	446.894	5.324	50	40	IKGB	
C/C(=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1	104203332	IEZRSNDJMOILSW-GYHWCHFESA-N	425.557	6.677	50	40	IKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1	408539394	HBFSMVKQLQIQAZ-UCQKPKSFSA-N	437.765	5.826	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1C	408600171	WFIYPKJWALRUMT-CVKSISIWSA-N	432.524	5.372	50	40	IKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1	408691599	HOGLWGNIJZXUII-BKUYFWCQSA-N	443.934	6.275	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(C(=O)O)cc1	408771046	DZQBGLQOPYGXSI-BKUYFWCQSA-N	443.503	5.125	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccc(F)cc1	408926273	WQQPCAFVTXEJSN-MHWRWJLKSA-N	438.846	5.341	50	40	IKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	409233086	JXPKDRFRDCRNRU-YZYPPFLQSA-N	426.358	5.080	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12	409349605	QYWYVZGLYBEOPB-JLPGSUDCSA-N	439.942	7.535	50	40	IKGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(N(C)C)cc3)C3=C2CC(C)(C)CC3=O)cc1	705420	GBFPGUPLWGWDBJ-XMMPIXPASA-N	426.564	5.002	50	40	IKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	1905916	WKQSPFRSLGLJKB-QGOAFFKASA-N	435.936	5.498	50	40	IKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1sc2cc(Cl)ccc2c1Cl	2089996	UFMPZVOWICRQNX-DHRITJCHSA-N	441.339	6.764	50	40	IKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OCc1ccccc1	8400542	QOEJLBJWXSNNCP-OEAKJJBVSA-N	438.552	6.770	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	223168806	MLOORWYPEKSFOQ-MOSHPQCFSA-N	438.358	5.667	50	40	IKGB	
CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408538193	KAQJSJMMPPIXTK-GHRIWEEISA-N	445.332	6.093	50	40	IKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1OC	408540359	QSOYLMYXMNVETR-ITYLOYPMSA-N	430.976	5.781	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(F)cc3)cc2-c2ccc3ccccc3c2)cc1	408725406	OPRFDTXILGEBHF-UXHLAJHPSA-N	448.501	5.904	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1	408747089	ZIWFNTJAFNUNEA-MOSHPQCFSA-N	432.907	5.782	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Cc2cccc(F)c2)c1	408872140	LGZXLCTYDNEHHJ-UDWIEESQSA-N	434.898	5.933	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccc(Cl)c1	408872249	BUUXUIJKEUJXOO-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408878100	WMSANAZRSUJPTP-WLRTZDKTSA-N	425.699	5.017	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cc(C)cc(C)c1	408885525	BJLXKBLIVGCSCB-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccc(Cl)c1	408924091	NUPBFSVSAIGRJG-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(F)c1	408968339	VQDKFYABHQCIEG-KKMKTNMSSA-N	442.277	5.347	50	40	IKGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3c4ccccc4cc4ccccc34)CC2=O)cc1	409155259	QGRGMOMLMMHWFE-KIKHOGTISA-N	435.527	5.059	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2	409364098	NAWPTOMEFDFERQ-QPEQYQDCSA-N	439.221	5.410	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Cl)cc1	409390014	DEPHBQDNLZWUBM-GRSHGNNSSA-N	442.317	7.174	50	40	IKGB	
COc1ccc([C@H](Br)[C@H](Br)C(=O)c2ccc3ccccc3c2)cc1	3119491	NPXXZGDLGIEBSC-OALUTQOASA-N	448.154	5.931	50	40	IKGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\SC=C(c2ccccc2)N1c1ccccc1	16477966	GXDRFCJTHSRDOY-DARPEHSRSA-N	429.932	6.266	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1[N+](=O)[O-]	32194066	XPONQOCGBLYZIC-RPPGKUMJSA-N	444.413	5.093	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	35351469	AXACEZIRYNCPEC-WQRHYEAKSA-N	433.851	5.330	50	40	IKGB	
CCOP(=O)(CCCCCCCCCCCCI)OCC	39337616	ICSJDPUNJBACLD-UHFFFAOYSA-N	432.323	6.589	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)C1c2ccccc2Oc2ccccc21	57476916	BWAZFSLQIMHQOL-JFLMPSFJSA-N	428.875	5.988	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(C2CCCCC2)cc1	59534523	DEIHRSYLWVVYQB-LFVJCYFKSA-N	443.616	6.427	50	40	IKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	96541057	UVQAHBCCNAFAEP-DICXZTSXSA-N	425.488	5.018	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(Cl)c2)c1	207154003	USWABMGWCWXMIJ-GRSHGNNSSA-N	437.326	6.427	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)[nH]c2cc1C	408544751	XOAWSMQNVRHAMQ-ZDLGFXPLSA-N	435.358	6.958	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408569598	OVNSCZVTAFVJEN-QPEQYQDCSA-N	428.261	5.102	50	40	IKGB	
Cc1c(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(F)cc1	408598540	CRYGOTKDHYHEDY-OCSSWDANSA-N	435.502	6.054	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1C	408767131	JFNXJJZBOXHYRZ-KQWNVCNZSA-N	425.576	6.554	50	40	IKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	409233433	SFCNQKXWPYMEOK-CFMHKOELSA-N	427.342	5.411	50	40	IKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1	409391577	JWONPUUCACAERQ-RDRPBHBLSA-N	441.962	6.030	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	1194861	YFCDNEFYAWEFPX-FYJGNVAPSA-N	440.572	5.130	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	2366539	DRGXRSNBJBTUCX-OCSSWDANSA-N	432.527	5.405	50	40	IKGB	
CC(C)c1cc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cs1	19645742	ZSJNSJYTQDFQNZ-OPEKNORGSA-N	447.387	6.521	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1	20197916	NXXIVGQMDCHZAC-WPWMEQJKSA-N	432.520	5.135	50	40	IKGB	
CC(C)c1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C\c2ccc(C(C)C)cc2)cc1	31629073	HNTBJTHPWNTBQD-HJTNQMAYSA-N	434.584	5.094	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)Sc1nc2ccccc2s1	33375476	DKNCOCZOHQEUMT-GXDHUFHOSA-N	429.353	7.520	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1	33768712	LOVCDVHFVASANA-AFUMVMLFSA-N	446.532	5.543	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F	59336301	XSSZHLOUPPUCSC-WJDWOHSUSA-N	428.294	6.086	50	40	IKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1	100057659	SUMKUDWQNCAEFW-LFVJCYFKSA-N	441.622	5.888	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Cl)c1OCc1ccc(Cl)cc1	408566636	IDSTXHVNFHLFDH-JMIUGGIZSA-N	435.310	6.517	50	40	IKGB	
CCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	408732423	RFLJJQKUUUKKKH-VEILYXNESA-N	427.935	6.325	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408768669	ZYCAQKHZBXPLRT-ZSOIEALJSA-N	441.270	5.806	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408792605	LKCUXKRIMDXSFR-FMIVXFBMSA-N	449.746	6.937	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	408810239	JILZCNSNFUNENQ-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408836959	XGNXHZZLNKCRPR-LTGZKZEYSA-N	446.934	6.253	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cc(C)cc(C)c3)ccc3ccccc23)cc1	408875721	KFOGMTSOTICSQR-XIEYBQDHSA-N	446.550	6.602	50	40	IKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)c1	408961944	VVQVPPPXFUNKNN-NTFVMDSBSA-N	431.580	5.365	50	40	IKGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(Sc2ccccc2)o1	408998104	SYHUIUQWFDWHRT-MTJSOVHGSA-N	425.560	5.283	50	40	IKGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	409005957	GRGAVEHWNOXEHF-UUYOSTAYSA-N	439.737	5.054	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(Cl)c1	409051512	ATJCNIWFBIFJQE-LQKURTRISA-N	428.919	6.145	50	40	IKGB	
O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(-n2cccc2)cc1	409220967	IOZIOAIXROBENW-RDRPBHBLSA-N	436.490	5.383	50	40	IKGB	
BrC[C@@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1	1669624	QUPFEIXIGKMCQU-LJQANCHMSA-N	437.385	5.201	50	40	IKGB	
CCCCCCSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	2359806	XBZIRCWBKNVKQD-LJQANCHMSA-N	435.420	6.736	50	40	IKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	13615878	JKEVWUXYOADCIS-MOSHPQCFSA-N	448.503	6.773	50	40	IKGB	
CC(C)c1ccc([C@@H](Nc2ccccc2C(=O)O)[C@H](SC#N)C(=O)c2ccccc2)cc1	16575832	PIGTUCSJJLFITI-NOZRDPDXSA-N	444.556	6.127	50	40	IKGB	
FC(F)(F)/C(=N/Nc1ccccc1)SS/C(=N/Nc1ccccc1)C(F)(F)F	17352626	CEQMAWQVGGCLCK-KGRJIBJCSA-N	438.422	6.344	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1Cl	408724444	ACWKVGOXVZDGMX-BKUYFWCQSA-N	446.934	6.090	50	40	IKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408836404	QWLBZYCFHYFLQX-HAVVHWLPSA-N	448.522	6.282	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1Cl	408887899	USYRCLLJUVXIJF-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(I)cc1	408924192	LXVKJDMYUIHJAV-DHZHZOJOSA-N	443.071	5.144	50	40	IKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1	408999607	WZGRUKJAUFMNHM-CEUNXORHSA-N	438.575	5.857	50	40	IKGB	
C=CCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cccc(C)c21	409038265	OYCJLCHSNHXBTH-JVWAILMASA-N	427.573	5.840	50	40	IKGB	
CC(C)c1ccc(C(=O)[C@@H](Br)[C@H](Br)C(=O)c2ccccc2)cc1	1672158	ZFEPJPWLJHRYCN-IRXDYDNUSA-N	438.159	5.403	50	40	IKGB	
O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccc(Cl)cc1	4113499	LLAVRDVGSFIMTJ-ZCXUNETKSA-N	430.898	5.875	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(F)c1	59335647	BJBMSPDTIXBTBQ-HAHDFKILSA-N	426.491	5.987	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1	216046960	VCSUJIVMVLKKJC-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	408743327	FTVJHTZAUSWZGA-ULJHMMPZSA-N	441.534	6.697	50	40	IKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccc(OC2CSC2)c1	408831442	NZYKNLJOBMHYCD-LGJNPRDNSA-N	446.597	5.134	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1ccccc1F	408865744	DXWQIJKZNKKSNA-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2cccc(F)c2)c1	408890832	ZWQJXLOWDJVUGB-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(C)C)c3ccccc23)c(C)c1	408909849	IMWJOVPEPIKRIL-OGLMXYFKSA-N	432.564	5.665	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1C	409008523	XKKVQQDCRYODGH-PPDIBHTLSA-N	443.378	5.580	50	40	IKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409021630	QZTPONDIYUINSM-FMCGGJTJSA-N	448.748	5.459	50	40	IKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	409123857	FEEIAFGXHDBOEQ-BFTFCADCSA-N	449.532	5.113	50	40	IKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	409245959	BOIHIHATGOAPRF-ATVHPVEESA-N	439.367	6.999	50	40	IKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	409302557	JGQWCPQOBMYQFE-SFHVURJKSA-N	443.366	5.120	50	40	IKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	3279601	FCONOZBSMUNAMU-LQKURTRISA-N	444.918	5.845	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	9057390	BTPYQMQADIUYKP-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1	9244170	GXPGHLMAAMJQQL-SFHVURJKSA-N	440.425	5.102	50	40	IKGB	
CCCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	16638306	YIAICWICZYZEBB-JOCHJYFZSA-N	444.575	6.230	50	40	IKGB	
Cc1c(Br)c(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccccc1	20243683	MDTAPHHXZSVMEK-YDZHTSKRSA-N	442.382	5.099	50	40	IKGB	
O=C1N=C2OP(c3ccccc3)(c3ccccc3)(c3ccccc3)C=C2N1c1ccccc1	97950469	KPHHXYGUQOBIQM-UHFFFAOYSA-N	448.462	5.342	50	40	IKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)cc1	252481185	CIFQHEXQMSECRK-LTGZKZEYSA-N	428.488	5.758	50	40	IKGB	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	408581486	XFOFHDVKPQPPLZ-CXUHLZMHSA-N	435.159	6.373	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCC	408599670	YHMMIBZZMGNPKT-ZVHZXABRSA-N	447.373	5.308	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408873190	OGJYZQBNLVVVAO-VCHYOVAHSA-N	441.745	6.783	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cc(C)cc(C)c1	408893229	GEMHSLZDXIWNDO-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)oc12	408964237	CJNRAZPWGSUGOE-LQKURTRISA-N	443.547	5.910	50	40	IKGB	
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NN(c1ccccc1)c1ccccc1	409002698	PDWXXDAYFOQBMP-XMMPIXPASA-N	443.547	5.218	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409210765	KZRZDQSGTUFETR-KQWNVCNZSA-N	429.479	6.815	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(Br)c2)o1	409211150	MWACOQRYROJAMI-SSDVNMTOSA-N	449.757	5.605	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1COc1ccc(F)cc1	2727022	ZPRCIHWDRUJZLS-DEOSSOPVSA-N	432.495	5.145	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1	3945097	IBQMCEDHIWSLOZ-CPNJWEJPSA-N	429.907	5.878	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc2ccccc2c1	4047935	QGMHYMKNRPYUJV-YUMHPJSZSA-N	441.534	6.946	50	40	IKGB	
Cc1ccc(-c2noc(/C(C#N)=C/c3c(C)nn(-c4ccccc4)c3N3CCCC3)n2)cc1	8718040	LZTOXKWZTZQYDP-LTGZKZEYSA-N	436.519	5.204	50	40	IKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)c(OC)c1	9693332	HRGPDFQUQKMKCZ-HXUWFJFHSA-N	449.576	5.047	50	40	IKGB	
Nc1ccccc1C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	14408872	REUSFWTWRCJWKJ-RWPZCVJISA-N	429.907	5.418	50	40	IKGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1	16194322	XEEVZDDTBMOHLA-MNVTYAKESA-N	443.330	5.410	50	40	IKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OC	16959937	XFSNGKPFOPBOBE-LTGZKZEYSA-N	445.588	6.852	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1Cl	59117233	DVNLIXPFOGZYFX-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@@H]4C[C@@H]3C[C@H]4Br)[C@@]1(Cl)C2(Cl)Cl	104105626	ZCXWLYHFCQNFFL-RBSKTQHPSA-N	445.826	5.868	50	40	IKGB	
CC(=O)OC/C(=C/C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118930449	GTNLNZAZXARJCQ-GIJXTDITSA-N	441.612	5.590	50	40	IKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc3ccccc13)[C@@H](C)CC(C)(C)N2C(C)C	223594983	NTKKYBMUQJMVIJ-CGKHLXHRSA-N	427.592	6.413	50	40	IKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1	408600492	ZYBWSIWKQSXXQI-OGLMXYFKSA-N	445.563	5.332	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)c(Br)c2)c1C	408601654	LFTVFEXSTSIXQX-VCHYOVAHSA-N	427.342	5.646	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)cc1	408726006	RICCQZRBGHVGHJ-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1	408825183	HVAFLVDTEFTNSL-CPNJWEJPSA-N	448.906	5.482	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1cccc(F)c1	408864898	AFRSSHJRMDDTAN-UDWIEESQSA-N	434.898	6.014	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc2c(c1)OCO2	408989466	KUBOAFUDUJBNHO-UNOMPAQXSA-N	446.890	5.502	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1	409184402	GMRZRAQGBDOSJV-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	1856944	VVRRXZQNLBLALW-GZTJUZNOSA-N	447.472	5.046	50	40	IKGB	
O=C(N/N=C/C(Br)=C\c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1	8386399	VRFCKDWJKQTDKQ-WZPRKLMFSA-N	445.360	5.531	50	40	IKGB	
COc1cc(C(=O)Nc2ccccc2OC(F)(F)[C@@H](F)Cl)ccc1OC(F)F	9363762	IKZVVSHINJADLH-OAHLLOKOSA-N	425.737	5.055	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3OCC)o2)cc1	13510855	ZTUNJDKVKAYLAG-CYVLTUHYSA-N	430.460	5.068	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1Nc1ccccc1	16249329	LBAZRLDZQUHICW-WGOQTCKBSA-N	429.911	5.342	50	40	IKGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	32116857	VHBLXZCWPSDWHN-UCQKPKSFSA-N	425.897	5.092	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1	34719712	SJAPERHILONXBV-SFQUDFHCSA-N	449.869	5.042	50	40	IKGB	
BrCc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1	41127386	PAHHTLWAPMOJCU-UHFFFAOYSA-N	443.138	6.819	50	40	IKGB	
O=C(CCCC[C@@H]1CCSS1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1	50966306	ZUFQGXBVISCTIW-WIYYLYMNSA-N	425.623	5.677	50	40	IKGB	biogenic
CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	107759487	LNWSQQHPCLDUDS-MZJWZYIUSA-N	444.922	5.065	50	40	IKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3Br)cc21	208250498	SCJSLNDTDQCIGX-LFWZTCNZSA-N	448.792	5.588	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc2ccccc2c1	408743466	FZUYJQBROPZOAP-MYYYXRDXSA-N	448.522	6.282	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(F)cc1	408852382	TVNACAZEWRFKIZ-KKMKTNMSSA-N	445.321	6.092	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OCc1ccccc1	408881289	KPPKHBCEORMCAL-XSFVSMFZSA-N	432.907	5.782	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cccc(F)c2)c1	408888780	AOMJBRVMGMCVNX-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc(Cl)cc1	408897725	ZNQDKEIHKJZQIN-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(Cl)cc1Cl	409009623	HACIIQHNRKNSRX-WGARJPEWSA-N	445.346	5.855	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc(F)c1	409389575	CCBMIMFDENRGQQ-IUXPMGMMSA-N	443.261	6.684	50	40	IKGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)C(C#N)=C(N)O3)cc1	664787	SCNGQJUKUXLXFO-HXUWFJFHSA-N	444.878	5.217	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F	867524	VTPQCRVJDOYXNO-KPKJPENVSA-N	446.221	5.846	50	40	IKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)cc1	2053890	XSFVMYQIMFDTNR-ZTKZIYFRSA-N	438.575	5.991	50	40	IKGB	
O=C(NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)Nc1cccc(C(F)(F)F)c1	8781995	JOEQTNSUWZJVHW-UHFFFAOYSA-N	438.409	5.320	50	40	IKGB	
CCOc1cc([C@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)ccc1O	9015520	RRZZYXVLKBWMIZ-HXUWFJFHSA-N	430.529	5.216	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	23215201	VRNFUYHKKOSKGM-MDWZMJQESA-N	435.705	5.055	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1	33429407	BONMGIKIIYFEIB-CFRMEGHHSA-N	432.505	5.289	50	40	IKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	33629308	YECHSQZCNMRSRE-NBZOHKLQSA-N	436.349	6.852	50	40	IKGB	
ClC1[C@H]2c3ccccc3[C@H]1c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1	104105368	WAEZPFVZRQEOQG-NSOVKSMOSA-N	428.962	8.372	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	209387386	BGYNVFNBQKCMEY-LCYFTJDESA-N	428.231	5.707	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1	209493333	PBZFXXOCIDTVEO-DEDYPNTBSA-N	447.332	5.839	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1Cl	408578979	CDDRKUBEXPOOLX-LZYBPNLTSA-N	449.164	7.943	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1F	408812935	CCSIBGOFJMYEOR-YVLHZVERSA-N	441.289	6.257	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	408813240	QJACUWYVBJUEMY-MHWRWJLKSA-N	427.287	5.485	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC	408814089	PXPYGOHZXNOZLR-WJDWOHSUSA-N	429.289	5.261	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1	408814381	ZDBIRFSSOOBRCJ-HMMYKYKNSA-N	432.907	5.863	50	40	IKGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	408980274	QFLYSURBPHFETK-YYHBXHNPSA-N	440.330	5.005	50	40	IKGB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc2cccnc12	409023595	IDVBVIOVSOQKQK-UWSVQNCHSA-N	427.504	5.094	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409207269	QSRRAHAOFTVDLV-KXQYEYADSA-N	425.319	5.158	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	685951	CKJNCOTXWNJWCO-HFZDXXHNSA-N	432.527	5.089	50	40	IKGB	
N#C/C(=C\c1ccccc1Cl)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1	9034246	YGBSHTMIICLXBQ-VGOFMYFVSA-N	425.296	6.287	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)cc(Br)c1OC	17101197	OAEFGDRRTCJPJG-OQLLNIDSSA-N	437.378	5.094	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)c(C)c1	20195005	CMRZDTVLRYLTOT-RWPZCVJISA-N	431.923	5.100	50	40	IKGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1	20347806	HIHZYAPOOMLRPG-DEOSSOPVSA-N	444.556	5.036	50	40	IKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1	59336023	DLVUZQTZXDLUBW-UNOMPAQXSA-N	438.358	6.563	50	40	IKGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59436861	CJZXQRPSGOJPTL-WPWMEQJKSA-N	426.541	5.661	50	40	IKGB	
COc1ccc(SC(Sc2ccc(OC)cc2)=C(C#N)NC(=O)C(C)(C)C)cc1	80345321	JLVOIAHFKPABNV-UHFFFAOYSA-N	428.579	5.443	50	40	IKGB	
ClC1[C@H]2c3ccccc3[C@H]1[C@H]1[C@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12	104105410	XKDFSVHBYBKOEL-DQUDHZTESA-N	446.977	6.952	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1-c1cccc(Br)c1	409009366	DUGOXKPDZQHOEP-GDNBJRDFSA-N	440.728	5.747	50	40	IKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccc(I)cc1	409371864	LAYLXCOHLHVXHC-MOSHPQCFSA-N	437.280	5.934	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1cccc(F)c1	409393367	QPEYMXAGHLNBQM-LSCVHKIXSA-N	442.273	6.474	50	40	IKGB	
Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)c1	781529	VUFLSYNVLFSVIG-RCCKNPSSSA-N	439.515	5.154	50	40	IKGB	aggregator
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1	2768378	JHNSRVIDXGHMIG-XCLFUZPHSA-N	445.733	5.855	50	40	IKGB	
N#C/C(=C\c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1cccc(Cl)c1	8857416	NSFMMORUFJSSBN-FYJGNVAPSA-N	447.390	7.898	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccccc2)cs1	9494946	DQNGAHHPUFUPCS-XNTDXEJSSA-N	433.876	6.696	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C(C#N)=C(SCc2ccccc2)N1	9553891	CGUDBLSDTJOMPZ-XMMPIXPASA-N	438.556	5.350	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1	20765059	GVYBKGKXXCOJLT-STBIYBPSSA-N	436.515	5.032	50	40	IKGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)c(C#N)c1C	33707317	AGGGXOXBAPKPHX-RWPZCVJISA-N	430.552	5.166	50	40	IKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1	95100363	XPVOLRPLLPIAAS-XSFVSMFZSA-N	425.513	5.729	50	40	IKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)Nc3c(C)cc(C)cc32)cc1	100283864	OWKFNWRVGKPIAA-UHFFFAOYSA-N	449.595	5.909	50	40	IKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@H](Br)[C@@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl	104105622	ZCXWLYHFCQNFFL-BSSQEQABSA-N	445.826	5.868	50	40	IKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21	208447809	FPCDFSQCYKAZFZ-SXGWCWSVSA-N	426.347	6.171	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1	408567335	CYJPYRDIVYYLNT-UYRXBGFRSA-N	437.449	6.637	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCC	408759398	DJFPJCMYNYGEDB-BOPFTXTBSA-N	441.325	5.131	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408794495	SKWBFWHTYBQQRN-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408951466	IWFLFRVTGAANIZ-YRZUKJSISA-N	441.369	5.305	50	40	IKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(Br)cc1	409116057	LLMNHUQMEVWIOW-DNTJNYDQSA-N	432.170	5.139	50	40	IKGB	
CCC/C(=N\NC(=O)C(O)(c1ccc(CC)cc1)c1ccc(CC)cc1)c1ccccc1	4696932	GHKZBQNDYINVQX-PBBVDAKRSA-N	428.576	5.368	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccco1	17096191	OQEGBQPZJVDQTA-AQTBWJFISA-N	428.879	5.009	50	40	IKGB	
O=C(N/N=c1\scc(-c2ccccc2)n1C(=O)Nc1ccccc1)c1ccc(Cl)cc1	33348047	AXWURPDCVHZJJB-VYIQYICTSA-N	448.935	5.196	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1cccc2ncccc12	107665705	KAIDKRVTKPUEJZ-SDXDJHTJSA-N	447.523	5.695	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1	108112563	HMYUWVWBGPFYGK-NHDPSOOVSA-N	448.906	6.599	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408569181	MEPNLRUORHSEAI-BOPFTXTBSA-N	437.434	5.677	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C	408810987	VEPOFMFZZPFFFC-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc2ccccc2o1	408850146	GUTQFJYINUZCKE-ZMFRSBBQSA-N	439.298	6.083	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	408868800	OWEASOQMQAHDPL-HYARGMPZSA-N	445.360	6.202	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3cccc(F)c3)cc2c1	409187522	RLQHLTFXIHGNFA-DICXZTSXSA-N	432.451	5.314	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1Cl	409204904	DEJLVZFKRROSJD-KQBIVOJMSA-N	447.922	5.075	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(O)c1	409391992	MMLGSLZVRYMGHT-BRJLIKDPSA-N	445.302	5.051	50	40	IKGB	
N#CC(C#N)=C1C=C(NC2CCCCC2)C=C2[C@H]1N[C@]13CCCC[C@H]1CC1=C(CCCC1)N23	2288925	WUJKFZSNKZMUFF-NUKCWJJBSA-N	441.623	5.426	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1	8437787	AUWQDTYAWCEVGN-QFEZKATASA-N	449.304	5.677	50	40	IKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc2ccccc2n1	8722096	CYZDQTVRKOKJTM-RDRPBHBLSA-N	431.495	5.731	50	40	IKGB	
Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)cc1	9086183	HBENETXKKTYXBZ-SFHVURJKSA-N	442.466	5.247	50	40	IKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	10315716	TTYGDWPKJYVXGA-VULFUBBASA-N	444.362	5.492	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1	20197376	CPNZTBRTXAJHEI-OVVQPSECSA-N	432.520	5.217	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1	59249134	UOQHCJZSTLIVQS-WQRHYEAKSA-N	433.895	5.300	50	40	IKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	59484049	HJVMHSFGSSZPAE-BOPFTXTBSA-N	441.325	5.267	50	40	IKGB	
N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	100843755	YYDORBAHGQYMHL-FMIVXFBMSA-N	440.277	7.112	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(F)c3)o2)cc1	108127314	GOXSCEOJWGACQZ-DICXZTSXSA-N	431.467	5.169	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1C	408589224	ZGHIPPXLWISIIT-MFOYZWKCSA-N	431.750	7.127	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1C	408802443	FCODYMXELBOILB-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	408802826	HWPLNXLTHKERGG-FOWTUZBSSA-N	429.314	5.182	50	40	IKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408807417	CJATZHXEJOBWMG-GXDHUFHOSA-N	437.839	5.371	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1C	408871749	ZKHJKXRRJPLFIJ-JJIBRWJFSA-N	434.514	6.732	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)[nH]c2c1	408977805	YGHGHLLRYNJIKX-VCHYOVAHSA-N	434.326	6.821	50	40	IKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409023596	IFEYWZMFOKFMIS-UUYOSTAYSA-N	449.022	5.804	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc2ncccc2c1	409224546	IEVHTRHFCZZCEV-UQQQWYQISA-N	434.543	5.298	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1	409254386	DNPFROFBHWQKKL-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3SC(F)(F)F)n2)cc1	1833583	KDJNYDXTDZHQJA-FOWTUZBSSA-N	431.508	6.961	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1	8781419	CJHHUALEWFZOEW-MYKKPKGFSA-N	437.215	5.492	50	40	IKGB	
COc1cccc(-c2csc(/C(C#N)=C\c3cc(Br)c(O)c(OC)c3)n2)c1	9075392	CGJSTKBAJBRSBM-NSIKDUERSA-N	443.322	5.360	50	40	IKGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1c(Cl)cccc1Cl	9231879	MRKWICGNKPDTKR-AUEPDCJTSA-N	447.149	5.559	50	40	IKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	9507666	RXLMDPCKVSZJKU-KGENOOAVSA-N	431.542	5.248	50	40	IKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc2ncccc12	14356819	WOIXQQWFFZEXGZ-NTCAYCPXSA-N	448.313	5.581	50	40	IKGB	
C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CC2)cc1	19646888	NWEFCOHVRWSMHC-WGARJPEWSA-N	448.350	5.041	50	40	IKGB	
CCC/C(=N/NC(=O)[C@H]1CC1(c1cccc(C)c1)c1cccc(C)c1)c1ccc(OC)cc1	21963933	YJECGVVTNZDHAL-OOBIRXJLSA-N	440.587	5.939	50	40	IKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1C(C)C	34687364	OJIUNNWEMIJACL-WOJGMQOQSA-N	433.577	5.875	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1	34760980	HPVORQURQFNIRK-JMIUGGIZSA-N	434.879	6.208	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	59333775	WAHBMWIAYFPOGZ-RGEXLXHISA-N	446.532	5.149	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	207148366	XALNFZRHFJRNEM-STZFKDTASA-N	430.479	5.521	50	40	IKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2C(C)=CC1(C)C	208517881	RCXZNCNZKRQWOA-NDENLUEZSA-N	433.983	6.524	50	40	IKGB	
COc1ccc(OCC(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1	223595813	RAOFRIXYCHRVBI-IKNFNJQFSA-N	437.584	5.033	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1	408579932	LOSORFVPCOORKX-RQZCQDPDSA-N	428.290	6.784	50	40	IKGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1cccc2ccccc12	408691486	ALAOKFRXEDNAIG-JCMHNJIXSA-N	445.522	6.384	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1	408706563	BNFKPPTYUZSTFK-VULFUBBASA-N	434.927	5.098	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1	408744714	GPNDXORZIPXSQO-MOSHPQCFSA-N	433.939	6.000	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)c1C	408872336	DHHIICBGPYBMPW-PXLXIMEGSA-N	445.360	6.202	50	40	IKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)c1	408994491	GFVODTYCTTXXQU-UVHMKAGCSA-N	436.342	6.069	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)o2)c(Br)c1	409228799	FKMCTPBPPKUHTL-APVMCDBPSA-N	435.321	5.802	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccccc1Cl	409267883	PNUPWAWRNZBJFJ-RGEXLXHISA-N	445.906	5.212	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccc(I)c1	409393365	QPCPODSATMBSCZ-ZDLGFXPLSA-N	442.275	5.902	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(=O)O)c1	1438735	SPIAEVKRYTXEPD-YBFXNURJSA-N	432.863	5.163	50	40	IKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc(-c2ccccc2)nc2ccccc12	2319761	TZIJZAKDRGBONF-TWKHWXDSSA-N	443.506	6.458	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H]1COc2ccccc2O1	13533683	UJGYSWQBRBNTIA-IDJAJCJQSA-N	447.874	5.158	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc2c(c1)OCCO2	14921398	HGCVMWDKIQMULO-OVVQPSECSA-N	438.568	5.091	50	40	IKGB	
O=C(CSSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1	98086277	VUNGCINVMOGCAZ-UHFFFAOYSA-N	432.570	5.952	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Br	105632284	LBVKGHLBUJVPBX-CPNJWEJPSA-N	433.305	5.574	50	40	IKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@H]2O	253690482	FRPJXPJMRWBBIH-RRPPUSTOSA-N	440.411	5.182	50	40	IKGB	world
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(Cl)c1	408734686	IORMPSPHLRNBMR-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408802071	COSRHNIFDCGYJX-KOEQRZSOSA-N	446.550	6.890	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl	409044917	FGASQGDSWSEQNI-OQLLNIDSSA-N	433.291	5.114	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1	409194527	MVAOQZFUKLXUOG-UVKUDMKVSA-N	438.575	5.899	50	40	IKGB	
Cc1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(C)c1	3025305	SMQDAAIGEHCSGU-LQKURTRISA-N	425.532	5.144	50	40	IKGB	
ClCCN(CCCl)c1ccc(/N=N/C(=N\Nc2ccccc2)c2ccccc2)cc1	4707367	YHFSXEYOWPLHML-APMLRZHMSA-N	440.378	6.528	50	40	IKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	10059554	COCBRVBXQUYMPF-WEPAEKJRSA-N	445.346	6.296	50	40	IKGB	
N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	11853102	ORNZUUDAQPAFMQ-DHZHZOJOSA-N	435.267	6.141	50	40	IKGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240600	GBTDQBFDYIAHOS-VUTHCHCSSA-N	445.994	5.559	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1	28216024	ZPNOXLWVGPXTTN-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)c(Cl)c1	223595127	VZRZSLJGALTHGF-JYSLEBDSSA-N	426.004	6.221	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc2ccccc2c1	408541877	IIBGJHPMWHONMF-YSMPRRRNSA-N	449.506	6.580	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(F)cc2[nH]1	408567375	MFPLCNPFZOGZHD-SXGWCWSVSA-N	438.289	6.652	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1	408580182	MWBILOOZYGPHTI-HYARGMPZSA-N	430.334	7.790	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	408600242	AQIINVRQBLCYGJ-MDWZMJQESA-N	434.776	6.304	50	40	IKGB	
Cc1cc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)ccc1Cl	408602741	DMYGJGIVFVQAFY-QGOAFFKASA-N	442.906	5.606	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1	408746523	ZSAZGIMQHZNFJK-QNGOZBTKSA-N	439.946	6.506	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1	408797764	SVUZYJAYQWICOK-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1	408809235	KTVRRJGKDOHCPH-YBFXNURJSA-N	437.326	6.427	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-]	408851082	HNZDEIAMLSSBNC-ZROIWOOFSA-N	442.258	6.016	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccc(Cl)cc1	409195671	VALSCYDIVPPWSM-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
Cn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CCC4)ccc21	674750	VRHMYXYLVMYLRR-SANMLTNESA-N	445.526	5.031	50	40	IKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2cccc(Br)c2)c1	2322531	PGBSATNJMGDXHA-PVPASAESSA-N	447.376	5.522	50	40	IKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1	9075557	WYIZFDYJGDOMEH-KPKJPENVSA-N	425.262	7.200	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)NN=C3CCCCCCCCCCC3)c3ccccc3n2)cc1	19634821	ABAMGWDEQJUJJF-UHFFFAOYSA-N	441.619	7.601	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)cc1	33649016	WQIJFFMLIMJRLC-AFUMVMLFSA-N	445.500	5.461	50	40	IKGB	
CCCCCCCCCCCCCC(=O)NNS(=O)(=O)c1ccc(CCCl)cc1	98001208	XBSYYASSEZDWSY-UHFFFAOYSA-N	445.069	5.479	50	40	IKGB	
Cc1ccc2c(c1)C1=C(SS/C1=C\c1c3ccccc3nc3ccccc13)C(C)(C)N2	103769380	JWRVGHQPYHBGHQ-IWIPYMOSSA-N	438.621	8.048	50	40	IKGB	
CC(C)[C@@H]1CC[C@H](C)[C@@H](OC(=O)[C@H](Br)[C@H](Br)c2ccccc2)C1	104257203	ACZPKEKRNBBSNG-KTQBOKQISA-N	446.223	5.890	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260573621	ZDQJGKDGZBFNRV-KURMNSRBSA-N	443.982	6.071	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccccc1Cl	408725614	MQXPQVZOCYTJSF-SEVOYQDUSA-N	440.971	5.594	50	40	IKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408811602	MREPKIBZGJXMNA-VEJKBTLKSA-N	433.335	5.403	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1	408874117	YUGVMLGAMBAGGK-YBFXNURJSA-N	439.317	6.577	50	40	IKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408878455	AWDGHDHTHFTWEC-BRJLIKDPSA-N	446.403	5.952	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cccc(Br)c1	408879234	BMWFXVLHYAUBJX-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(C)cc1	409189796	SUYYAUWTRGILON-LQKURTRISA-N	448.950	5.728	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(F)c1	409390542	FRVBAUAVJUWEQW-IUXPMGMMSA-N	432.709	7.429	50	40	IKGB	
O=C(c1ccccc1)[C@@H](Br)[C@H](Br)c1ccc(Cl)c(Cl)c1	1593670	ULEIMJGIXNHCHX-KGLIPLIRSA-N	436.958	6.076	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)c(C)n1-c1ccc(F)cc1	4063043	OWHSTRDODGULAJ-CPNJWEJPSA-N	443.507	5.401	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	6573653	FJWWTTQWFDEOBZ-GDNBJRDFSA-N	427.287	6.198	50	40	IKGB	
CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1CC(C)C	19802732	KAXAEXCEEATYFA-QGZVFWFLSA-N	432.973	5.094	50	40	IKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1	20132927	HJKPXAGTIYSZBY-MRVPVSSYSA-N	440.588	5.604	50	40	IKGB	
Cc1ccc(C(=O)N(/N=C/c2ccc(Cl)cc2)c2oc(-c3ccccc3)nc2C#N)cc1	27026985	YHHZXIVBKWRCER-LQKURTRISA-N	440.890	5.856	50	40	IKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	33629310	YECHSQZCNMRSRE-SJJOQSKNSA-N	436.349	6.852	50	40	IKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1	33689650	RJKHLNYLOJPGLZ-BOPFTXTBSA-N	441.289	6.214	50	40	IKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1cccc2ccccc12	59425735	VVFBKBVRAGOTQP-VUTHCHCSSA-N	438.527	5.510	50	40	IKGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527907	REVTURCVXSGZNE-LURJTMIESA-N	430.092	5.839	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	108944665	JVPKEDNENPAZSC-DHRITJCHSA-N	449.463	5.292	50	40	IKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@H]2O	253690476	FRPJXPJMRWBBIH-MKQKURRLSA-N	440.411	5.182	50	40	IKGB	world
CC(C)N1c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2[C@H](C)CC1(C)C	260563062	FINYSVNPDHUAHK-NKZWWHGNSA-N	437.971	6.351	50	40	IKGB	
Cc1c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1	408692300	JHQPXISGLLEQOP-IPPBACCNSA-N	448.929	5.353	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c1	408745103	JTFHXAZPWITJLQ-MOSHPQCFSA-N	447.922	5.470	50	40	IKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(N3CCCCC3)cc2)c1	408850462	ANCLMOLEWVISKK-UHFFFAOYSA-N	434.971	5.502	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1	408926309	WYVWAUWOQNAMNI-CJLVFECKSA-N	448.478	5.663	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12	408947889	DKYSWWZWRMQGDU-JCMHNJIXSA-N	439.490	5.152	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409046014	HVYVNYFIYZWWMW-LDADJPATSA-N	433.851	5.330	50	40	IKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1	2750688	DRVABLYUHTZRJC-JFLMPSFJSA-N	430.504	5.056	50	40	IKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccc(Br)cc2)c1	3074997	VCGJLYRJWCRKOU-PVPASAESSA-N	447.376	5.522	50	40	IKGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	8856613	ZEFMNGITMFSONY-YBEGLDIGSA-N	425.307	5.423	50	40	IKGB	
CCCCc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	9445012	HCSGWPXZNNRYFP-NBVRZTHBSA-N	438.394	6.892	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	13027755	BUUNNRAPFDQXFY-XIEYBQDHSA-N	436.580	7.720	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCCC)c1	15979682	PCLYJQSAIGXLEG-SFQUDFHCSA-N	432.442	5.829	50	40	IKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@@H]1c1cccs1	20348243	HRUHKVNGVMKPRP-LJQANCHMSA-N	435.574	5.181	50	40	IKGB	
N#C/C(=C(/O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(O)c2ccccc2n1	20394975	ZQIGTSBARVWJBX-RGEXLXHISA-N	434.795	5.107	50	40	IKGB	
CCC/C(=N/NC(=O)[C@@H]1CC1(c1cccc(C)c1)c1cccc(C)c1)c1ccc(OC)cc1	21963929	YJECGVVTNZDHAL-LCAQPBRCSA-N	440.587	5.939	50	40	IKGB	
COc1ccc(N(C(=O)CCCCl)[C@@H](C#N)c2ccccc2OCc2ccccc2)cc1	26895987	IASOEVIGMUXMTD-DEOSSOPVSA-N	448.950	5.891	50	40	IKGB	
O=C(N/N=C\c1ccccc1Br)c1cc(-c2ccccc2)nc2ccccc12	33350483	VJTWVRGIXPPDDH-MYYYXRDXSA-N	430.305	5.428	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)[nH]c2c1	33429797	IPLLYMFPNCOCQD-AQTBWJFISA-N	449.489	5.668	50	40	IKGB	
Cc1ccccc1/N=C(\O)CSC1=C(C#N)[C@H](c2ccccc2C)C2=C(O)CCCC2=N1	103707568	LYWGDUCWGCPDMC-DEOSSOPVSA-N	443.572	6.594	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1	207156654	CYGVWLOFXWFBGR-FFAHCDIZSA-N	440.543	5.757	50	40	IKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C	223535634	UOHSOORBVYDRMQ-HAKPAVFJSA-N	442.390	6.651	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408567494	NXVCVGNGIZYXEB-UUYOSTAYSA-N	425.444	5.508	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1F	408737795	HGYXMTJVWNCWSV-BRJLIKDPSA-N	445.263	5.070	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408740991	GEAOBVDCKCWUGP-HKWRFOASSA-N	436.471	5.452	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1Cl	408785481	ZMNFSROTZYSXQV-MFOYZWKCSA-N	433.335	5.403	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br	408798212	VDCDNQLJPSNGOB-GZTJUZNOSA-N	443.341	5.355	50	40	IKGB	
N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	408865136	BBKQYSQDQIXUPP-LTGZKZEYSA-N	438.914	6.335	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc(Cl)cc2)c1	408874737	GAPSYKCAYMWKBS-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1C	408934671	FQFKBGPLPOOUHE-BKUYFWCQSA-N	427.460	5.336	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCC#N	408989541	LDEVWSXWYSBIOI-CPNJWEJPSA-N	435.911	5.224	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1	409052172	GLXHUWINSCVOAZ-LGJNPRDNSA-N	443.330	5.653	50	40	IKGB	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3162106	VQJJQCUAPXTVPV-VICVKWBVSA-N	430.548	5.615	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)c(F)c1	9323131	BSQGANFYIXITOD-WCMJOSRZSA-N	448.457	5.065	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccccc3-c3ccccc3)ccc21	9805928	MYWQFMQPIAWORV-NDZAJKAJSA-N	447.538	6.011	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	59117377	SUPPXVLHZXLZJZ-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(C)c1	59201977	VADZBKKNBRGCCG-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccccc1F	59224576	RUAIPMLTUXONJS-PXLXIMEGSA-N	444.506	5.911	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59247961	NRUWFLFCADOFPY-NVNXTCNLSA-N	445.733	6.817	50	40	IKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	59418854	VZRXZMRLZPOSPR-OGLMXYFKSA-N	428.919	5.765	50	40	IKGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1Cl	101346595	HEXRFSHDNWGILJ-JYRVWZFOSA-N	437.739	5.938	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(Cl)cc1Cl	408541698	HIEKEHBWCZJRMR-ZROIWOOFSA-N	437.282	6.352	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1	408879524	DYXHLLOXOSSISJ-BRJLIKDPSA-N	433.722	5.990	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1C	408905384	YEIILWXXICXPBT-MXAYSNPKSA-N	430.464	5.129	50	40	IKGB	
O=C(N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1O	408957761	VSPAJRFHMVWTIU-DICXZTSXSA-N	430.891	5.542	50	40	IKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)o2)ccc1Cl	409215919	CDECZSPVZCZHQZ-LDADJPATSA-N	448.906	5.939	50	40	IKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1cccc2ccccc12	409327895	XTVBHHKQLPAIGU-LTGZKZEYSA-N	445.497	6.636	50	40	IKGB	
Cc1nn(-c2ccccc2)c(SSc2c(C=O)c(C)nn2-c2ccccc2)c1C=O	1509473	CKANJOBSHATLRC-UHFFFAOYSA-N	434.546	5.099	50	40	IKGB	
Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)S/C1=C(/C#N)C(=O)Nc1ccccc1	2376694	MHMNLKDEDHHKTQ-HVBJHMBASA-N	439.540	5.060	50	40	IKGB	
C/C(=N/NC(=O)c1ccn(Cc2ccc(Br)cc2)n1)c1ccc2ccccc2c1	8780761	GVXBHBJDQGRBRG-XYGWBWBKSA-N	447.336	5.001	50	40	IKGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	13425254	NAONFPXADKHIKJ-XNTDXEJSSA-N	446.384	5.026	50	40	IKGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	59117081	HUZXMDHGELPNLB-RIYZIHGNSA-N	449.732	5.446	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	59336568	GBMKORUXSOTOJK-UYRXBGFRSA-N	437.326	6.427	50	40	IKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	100843765	XZPAGDYYTWKJAU-JLHYYAGUSA-N	435.858	6.467	50	40	IKGB	
N#CC1=CN2[C@H](C=C1)[C@H](C(=C(C#N)C#N)C1CC1)[C@@H](c1ccccc1)[C@@H]2C(=O)c1ccccc1	169462001	KPMYTGOXYTXWGB-YULOIDQLSA-N	442.522	5.053	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)c1	408598887	CGSAMLLBUPRYMB-OGLMXYFKSA-N	445.563	5.332	50	40	IKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1cccc([N+](=O)[O-])c1	408882369	OVGXNMLPFGTAPC-WYMPLXKRSA-N	444.274	5.245	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(CC)cc3)c2C)c1	408968632	YCBWGKMPKFYKIY-HAHDFKILSA-N	441.531	5.379	50	40	IKGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)n1	409015648	OWDCFQLLIJPMAI-UFFVCSGVSA-N	449.026	5.202	50	40	IKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)cc2c1	409186774	HRLOPCNWQVVTOK-YUMHPJSZSA-N	429.520	5.565	50	40	IKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409247366	BRRKJFGXWWYZAA-ZMFRSBBQSA-N	431.294	5.404	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccccc1	106120268	HKEAVRAFFSQENI-BOPFTXTBSA-N	436.870	5.569	50	40	IKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3ccccc3)c2C)cc1Cl	223169209	HNHTVTYLLLICCX-STZFKDTASA-N	433.939	5.022	50	40	IKGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3Cl)cc2[C@@H](C)CC1(C)C	223576245	DGVNVPBKQHDART-VHQYDUIRSA-N	427.976	5.290	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccc(Cl)cc1Cl	408591815	VINHYXPPIXBZPL-SSDVNMTOSA-N	442.437	5.437	50	40	IKGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1	408707998	MYLSQPJPNMBKID-JFLMPSFJSA-N	448.954	5.604	50	40	IKGB	
O=C(CCc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408877311	UPCLVHITHBRMTJ-CVKSISIWSA-N	427.331	5.655	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)c1	408899230	OFYFCXHLJYPLNM-HYARGMPZSA-N	430.935	6.390	50	40	IKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409044240	UTTLNIRENZQZFQ-NTUHNPAUSA-N	441.236	6.123	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1	409379100	UCLPCFHOPUBCEX-SFQUDFHCSA-N	436.309	5.108	50	40	IKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1C	2312132	NINUQBMGASWQHF-OAQYLSRUSA-N	433.577	5.137	50	40	IKGB	
O=P(O[C@H](c1ccccc1)C(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1	3087639	RWPZRIYKVJBQBI-LJQANCHMSA-N	425.679	6.044	50	40	IKGB	
CCCC[C@H](CC)COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	4281090	WTBHWGMGUJQNKW-INIZCTEOSA-N	447.373	5.119	50	40	IKGB	biogenic
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057447	VUPRNZXLYLWGJQ-PXLXIMEGSA-N	449.466	5.873	50	40	IKGB	
COc1cc(C(=O)Nc2ccccc2OC(F)(F)[C@H](F)Cl)ccc1OC(F)F	9363763	IKZVVSHINJADLH-HNNXBMFYSA-N	425.737	5.055	50	40	IKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1	9693612	BISUHLHCUZVCAH-OAHLLOKOSA-N	446.359	5.221	50	40	IKGB	
N#C/C(=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1nc2ccccc2[nH]1	15225960	AKAMVURGBWMOBY-JCMHNJIXSA-N	445.309	5.851	50	40	IKGB	
N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1	100839810	FTFIVWDMMYGZRP-RAXLEYEMSA-N	427.283	5.457	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	105070654	OFCOMOHNRMACRC-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1F	107735211	FLUDQJUYURKCPO-BOPFTXTBSA-N	442.715	6.885	50	40	IKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1	107788015	BPYXGEMEMLSSBH-BRJLIKDPSA-N	446.334	5.182	50	40	IKGB	
COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1cccc(F)c1	408579681	JMXLBKNTTVQMSA-YBFXNURJSA-N	438.296	6.240	50	40	IKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408586588	CNUGYZTYMXHJRW-OGLMXYFKSA-N	439.515	5.188	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1C	408598775	BBZZONZXFIDGFE-JFLMPSFJSA-N	437.971	5.818	50	40	IKGB	
C[C@@]1(C(=O)NN=C(c2ccccc2)c2ccccc2)NC2(CCCCC2)Cc2ccccc21	408734477	UBXPTIVQMMYCHJ-MUUNZHRXSA-N	437.587	5.319	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408744388	KXVUFOSMMCNXLU-YBEGLDIGSA-N	429.314	5.101	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	408773079	SMMNQCQDUAHZLH-PGMHBOJBSA-N	438.914	6.618	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1	408870681	XBMHYFKXTWARNV-XMHGGMMESA-N	435.296	5.725	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1	408874856	BNBSQPMEFNJHLX-CPNJWEJPSA-N	437.326	6.138	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Cl)c1	408883737	VUVNFIBAAGCGCS-VXLYETTFSA-N	439.317	6.577	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1	409006475	JLVXOIQJRHISDJ-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C	409202509	RJXSELJHNCWHHJ-BRJLIKDPSA-N	446.403	5.952	50	40	IKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409229738	UJMPTTZRXKIWCS-MZJWZYIUSA-N	435.886	5.011	50	40	IKGB	
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCBr	1857777361	LVLFJOHSKXIMKF-UHFFFAOYSA-N	433.515	8.355	50	40	IKGB	
O=C(CCl)Nc1ccc(OCCCCCCOc2ccc(Cl)cc2Cl)cc1	2566998	DZQBMRUGZVIUSD-UHFFFAOYSA-N	430.759	6.189	50	40	IKGB	
N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	39383864	IMFDFYXKTCUFFM-NTMALXAHSA-N	435.267	6.141	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(C)C	59292081	PAGZZKRDSUHVFL-OVCLIPMQSA-N	433.733	5.744	50	40	IKGB	
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1Cl	59336566	RTSXHWPFIOZXJC-ATVHPVEESA-N	441.289	6.257	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)cc1	101065611	JCIZZKGCCQWPIR-LSHDLFTRSA-N	438.108	5.780	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	108063921	NFWPHSYSLSAINR-VULFUBBASA-N	438.911	5.289	50	40	IKGB	
O=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2ccccc2o1	108616066	LZQNNJYNMLSSPT-MWLSYYOVSA-N	438.458	6.068	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1ccc(C(=O)O)cc1	408544973	WMCBSAOEDBVGEO-HAHDFKILSA-N	449.462	5.879	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(N2CCCC2)cc1	408676209	HABVMEXOYPUDDS-AFUMVMLFSA-N	428.319	5.618	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1	408726139	QCXUAZYGJSYFEF-PDGQHHTCSA-N	434.879	5.179	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(C)cc1	408783831	RNIQWEFEGBIGOT-UCQKPKSFSA-N	426.516	5.745	50	40	IKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408798233	VKNRYNDWUFCQDK-LFYBBSHMSA-N	440.124	5.619	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408875918	HWXJYSXWHAOPPI-NLRVBDNBSA-N	430.551	6.902	50	40	IKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	409380913	CBWJCFWLDLOMGX-LFVJCYFKSA-N	444.538	5.938	50	40	IKGB	
Cc1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1Cl	1741290	FJSHGRWGBWZOFK-HUUCEWRRSA-N	431.555	5.487	50	40	IKGB	
CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1	2310194	SKFOMOYOKXWBJX-IBGZPJMESA-N	439.968	5.174	50	40	IKGB	
COc1ccc(-c2csc3ncnc(NNC(=O)c4ccc(C(C)(C)C)cc4)c23)cc1	3440319	ALTKFTHIPLWRMI-UHFFFAOYSA-N	432.549	5.421	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)c(Cl)c1	13688989	OBPKTLIAOZHVSA-MBTHVWNTSA-N	434.326	6.363	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)c(Br)c1O	33627048	QZNUQSCQFSQVHK-XFFZJAGNSA-N	441.094	5.519	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	59201398	RDUUAUMGRBEUPR-XSFVSMFZSA-N	425.919	6.197	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1	408741614	QWABQZOBNJOFIT-DHRITJCHSA-N	429.351	5.231	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1	408765866	RCNNPBFZOLDJRN-JXAWBTAJSA-N	447.288	5.214	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(C)c1	408793613	FPUXHFRIVXDUAA-YBFXNURJSA-N	448.906	5.487	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1	408798660	WKZMJPKNIBEHNX-KOEQRZSOSA-N	441.534	6.697	50	40	IKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408802430	DXWKVUQPAFJJKF-CXUHLZMHSA-N	433.335	6.035	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C)c1OCc1ccc(Cl)cc1	408858395	RWZGWALMPMSYJS-LGJNPRDNSA-N	427.331	5.953	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1ccccc1F	408883374	UFLDPLUHTSGMGQ-RGVLZGJSSA-N	434.898	5.933	50	40	IKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1	409022454	OPBJERRDASQEQP-JJFYIABZSA-N	437.373	5.735	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccccc1	409067754	PRWBOIBVSXQLHQ-HAVVHWLPSA-N	445.540	5.646	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3Cl)o2)c(Br)c1	409235438	PYYYUPDERDIEOB-LCYFTJDESA-N	433.132	7.389	50	40	IKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	409389841	ATOMPBFZZXVSFB-LGJNPRDNSA-N	448.866	5.224	50	40	IKGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c(C)c1	2310444	FGUWWCDYWPBIIP-JOCHJYFZSA-N	447.560	5.006	50	40	IKGB	
Cc1ccc(C(C)C)c(OCCCOc2ccccc2/C=N/NC(=O)c2ccncc2)c1	9969774	WWJNMBWZPOZWPE-MTDXEUNCSA-N	431.536	5.125	50	40	IKGB	
N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	15225277	NDOGYZXYKQHZDN-MUFRIFMGSA-N	439.902	5.708	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc2ccccc12	59297122	OBKHWTLQRZIDCO-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
COc1cc(/C=N\c2cccc(Br)c2)ccc1N(CCCl)CCCl	104079013	CZWUXMFGNYIXBD-XKZIYDEJSA-N	430.173	5.492	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl	408588456	WHMMBVIRAFLQGU-PXNMLYILSA-N	436.169	7.772	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1Br	408997095	RAOBUBPQVPYGLO-YSMPRRRNSA-N	446.348	5.774	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	3232179	SQYPKDMQTUULDL-YVLHZVERSA-N	437.282	5.758	50	40	IKGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1c(OC(C)C)ccc2ccccc12	8812708	NAEIZZAWCDWOGV-ZMOGYAJESA-N	441.325	5.162	50	40	IKGB	
Cc1ccc(COc2ccccc2[C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	9282446	JQODLWXAKUEHSY-QHCPKHFHSA-N	434.499	5.182	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1	12613716	JMXGXTVXAKCIGC-SFQUDFHCSA-N	434.362	6.531	50	40	IKGB	
Cc1ccc([C@@H](Nc2cccc(C)c2)[C@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16292106	QUFDVMUEEBQOKX-IAPPQJPRSA-N	436.580	7.076	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1	16406849	KIEDZNFOKOFYAM-XSFVSMFZSA-N	443.459	5.075	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	33572062	IRPVZJJQTVVSOJ-YVLHZVERSA-N	438.842	6.039	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	48573454	NOOVCFSQBQAOHT-WGOQTCKBSA-N	431.492	5.235	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	59335048	UOVTYMKLRLYSBU-MOSHPQCFSA-N	443.459	5.037	50	40	IKGB	
CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCC(=O)O	100053700	UXHXSKUOVZUHBJ-DLBZAZTESA-N	442.276	7.079	50	40	IKGB	
COc1cc(N2CCCCC2)ccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	108098693	HSCOBPDRJYZINF-QGOAFFKASA-N	446.576	5.043	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC	408540284	PQBDWVYNEKPWSV-PKAZHMFMSA-N	438.955	6.225	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)O	408548990	OXUBEQGOEQFVTM-LSCVHKIXSA-N	438.277	5.138	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC	408551172	LWIRAJIRZIBJDA-MTJSOVHGSA-N	432.317	6.077	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(N2CCCC2)cc1	408677957	WKPZJYNFEQHQTL-YZSQISJMSA-N	435.980	5.855	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccc(O)cc1	408875643	KVQIOSHEHNTWMY-XMHGGMMESA-N	433.305	5.291	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1	408888133	SRMQSRKMFRUVLR-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccccc2Cl)c1	408891090	LHYBKBPCRZZJNI-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1cccc2ccccc12	408900346	VFTVYNRQOGTMQU-JJIBRWJFSA-N	448.522	6.282	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)cc1	409143733	HCAKUEPKONYPNX-CIAFOILYSA-N	427.891	5.645	50	40	IKGB	
CC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250036	JWGLIXBEOZTPPU-OAQYLSRUSA-N	429.372	6.212	50	40	IKGB	
Cc1cc(/C=C(\C#N)c2nc3c(s2)CCCC3)c(C)n1-c1ccc(Br)cc1	12524366	URDPCAACOCQOMZ-SFQUDFHCSA-N	438.394	6.256	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	16216770	MDRAAUNRGGICFY-QQXSKIMKSA-N	448.522	5.651	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)o2)cc1	33347271	GPXKMUCWHPFHBK-CYVLTUHYSA-N	430.460	5.068	50	40	IKGB	
N#CC1=C(N)S[C@H](c2ccc(Cl)cc2)[C@@](C#N)(C(N)=S)[C@@H]1c1ccc(Cl)cc1	35183034	YCSVQCWWFNNSLM-HLIPFELVSA-N	445.400	5.055	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1C#N	35352285	SWGGHMOIMJNXGW-UUYOSTAYSA-N	425.444	5.508	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OCC	59201062	MKQMZWNKRZPFSU-GZTJUZNOSA-N	443.341	5.355	50	40	IKGB	
N#C/C(=C/c1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl	59335967	KEFJPZYYBVOYNI-FLIBITNWSA-N	443.071	5.144	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1	209405543	AIEALEDWIVVYKO-VXLYETTFSA-N	428.746	7.598	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Br)cc1	408579649	JAQGAGNCLINXRN-WOJGMQOQSA-N	442.715	6.885	50	40	IKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408790672	QPQUCDXOPRKESA-PTGBLXJZSA-N	425.532	5.657	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NC[C@H]1CCCO1	408819330	QBTVYWKEJNNYBP-VOSMRYOYSA-N	446.934	5.274	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C)c1OCc1ccc(F)cc1	408848512	ZIWXIGIRFZGWKY-MUFRIFMGSA-N	426.491	5.939	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1Cl	408981513	BMGVTCLYUVXCLA-MFOYZWKCSA-N	435.867	5.979	50	40	IKGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1nc2ccccc2[nH]1	409092121	VIMHVTBGNCUQEB-GDNBJRDFSA-N	427.376	5.236	50	40	IKGB	
N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cccc2ccccc12	2257043	ULQWURKIVYSRBO-IBGZPJMESA-N	432.405	5.262	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	12565961	HZGKTANJVIRHMA-MZJWZYIUSA-N	445.866	5.012	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H]1COc2ccccc2O1	13533679	UJGYSWQBRBNTIA-RKMMBKDRSA-N	447.874	5.158	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)sc2c1CCCC2	17297471	JPONJAHKKHUKLU-VKAVYKQESA-N	446.528	5.609	50	40	IKGB	
CC1(C)CC2=NC(SCc3ccccc3Cl)=C(C#N)[C@H](c3cccs3)C2=C(O)C1	102881870	MUURKRIIRFCEQF-HXUWFJFHSA-N	441.021	7.240	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)F)CC[C@]4(C)[C@H]3CC[C@@]21C	118932691	VHEUYXQCGHLVPE-XALWJPMUSA-N	432.664	8.503	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	408531396	NVVPGMGMBUFJSP-RPPGKUMJSA-N	429.351	5.272	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1	408580856	SCRJFAMFYZLMPC-RQZCQDPDSA-N	432.709	7.429	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(N2CCCC2)cc1	408678062	XFPZKFCQBWUKFG-TWKHWXDSSA-N	449.554	5.783	50	40	IKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)o1	408839856	WTURTWRMQQHLTR-WYMPLXKRSA-N	436.924	5.872	50	40	IKGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1cccc2ccccc12	408894441	IBQMFDZYOJOKGZ-NDZAJKAJSA-N	444.490	5.976	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408984617	SFDZPGOSOUDPHN-NTEUORMPSA-N	441.270	5.806	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc(C)c1	409246093	DSMHSNUKAKMDJM-UQQQWYQISA-N	440.543	5.239	50	40	IKGB	
Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1	2286887	VIQLROIGNPHCHS-BTYIYWSLSA-N	425.315	5.510	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl	2730485	YGISQSLIIOFUKX-GXDHUFHOSA-N	427.243	5.497	50	40	IKGB	
O=C(NCCSCc1c(F)cccc1Cl)[C@@H]1Cc2ccccc2[C@H]1C(Cl)Cl	3170896	NCVIVOSGWPPIEQ-RDTXWAMCSA-N	446.802	5.588	50	40	IKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	3267153	QWKPCBISDPXYED-RCCKNPSSSA-N	449.476	6.278	50	40	IKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccc(Br)cc1	6143856	BQIWUNYHYVUCIJ-IWIPYMOSSA-N	439.357	5.192	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(CC)s3)c3ccccc3n2)cc1	8454638	KLJINHHZQPPXQQ-OGLMXYFKSA-N	443.572	6.078	50	40	IKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1	13284119	VUNXUZMUXXVFQV-XMMPIXPASA-N	443.572	5.945	50	40	IKGB	
CCCN(CCC)c1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1	33667782	LMROVSIYOLMAFP-JFPYRBRCSA-N	446.620	6.212	50	40	IKGB	
Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccc(Br)cc1	34703168	LBNNTDFTKPLWAE-RGEXLXHISA-N	445.335	6.964	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(C)c1	408748162	ZKGVKORRFMBYFE-IWIPYMOSSA-N	426.516	5.196	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)ccc1OCc1ccccc1	408765814	YEUSHGBIZPSRQW-STZFKDTASA-N	426.472	5.022	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408793819	GHVLMCNOLCRZCO-NTEUORMPSA-N	449.732	5.446	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1cc(C)cc(C)c1	408877992	ZPQHINKWJHIHSA-RGVLZGJSSA-N	448.925	6.241	50	40	IKGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C(C)(C)C)cc1	15134615	MJCCZYIPXKDLFF-YDZHTSKRSA-N	437.765	5.319	50	40	IKGB	
CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)[C@@H](Cl)c1ccccc1	20568262	FACLABHYUAMSDP-OZXSUGGESA-N	438.398	7.141	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	59224802	GYZADCYFIBXVFT-NBVRZTHBSA-N	432.863	5.113	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1C#N	59432959	PJOYQXMFCMOGTQ-YDZHTSKRSA-N	437.499	5.308	50	40	IKGB	
CC/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(OC)c1	59474320	UTBQKTJBFKPZBZ-XTCLZLMSSA-N	434.561	5.540	50	40	IKGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)c3nc4ccccc4s3)ccc2OC)cc1	98087139	JRBGEOPXZCBJQV-QGOAFFKASA-N	442.496	5.597	50	40	IKGB	
N#C[C@@]1([C@H](c2cccc3ccccc23)c2cccc3ccc4ccccc4c23)CC(=O)OC1=O	104044670	AZDGGPQPYIOIOZ-PQHLKRTFSA-N	441.486	6.262	50	40	IKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](Cl)CC[C@@]43C)[C@@H]1CC[C@H]2N(CCCl)CCCl	118926429	WSFHWKVFVZZVNI-XWRAWWFBSA-N	432.907	6.705	50	40	IKGB	
CC(=O)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5	195779131	PSTZCHSKHUFSPW-QCOASTRSSA-N	446.704	5.872	50	40	IKGB	
CC(C)(C)[Si](C)(C)OC1CCC(n2cc(Br)c3cnc(Cl)nc32)CC1	206027333	OSQDMXXINHBHBJ-UHFFFAOYSA-N	444.877	6.353	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	209491825	LNJBPUDXFQZOPE-UDWIEESQSA-N	449.304	6.309	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1	408718697	YCLHEPSPBKYHBS-LTPJQUOUSA-N	448.906	5.121	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1F	408740230	APRRLHBPUKFVDN-BOPFTXTBSA-N	438.300	5.541	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1ccccc1F	408881085	LSFCJWXZRXCBOA-YBFXNURJSA-N	434.898	5.933	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1	408885216	XVZPFHKVPTZZIG-UDWIEESQSA-N	449.323	6.033	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1c[nH]c2ccc(OCc3ccccc3)cc12	408889218	AWFPOAHSLKHZHL-XDHOZWIPSA-N	441.918	6.254	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1cccc(Cl)c1	409017572	MKEUKTJHKIHWNB-ROTLSHHCSA-N	426.303	5.911	50	40	IKGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1	409191674	KKFMHUJFJHRBMQ-OGLMXYFKSA-N	448.950	5.810	50	40	IKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409357373	QCPOZXFTVAJUJO-XODNFHPESA-N	434.902	5.044	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc2ncccc12	1244303	WGZHCVMUAKFOIG-SDNWHVSQSA-N	434.282	6.347	50	40	IKGB	
BrCCc1cc(Br)c(CCBr)cc1Br	1578048	OVXNVXAEEUZLSC-UHFFFAOYSA-N	449.806	5.086	50	40	IKGB	
Cc1cc(C)c(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c(C)c1	1739445	SANMSYUPCDAQOR-HZPDHXFCSA-N	425.164	5.450	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	2199627	JLSAWEZTMBGSPE-RCCKNPSSSA-N	439.946	6.451	50	40	IKGB	
Cc1cc(Oc2ccccc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1C(C)C	12445844	ARUXWSBOZKEIIK-CVKSISIWSA-N	447.491	5.348	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1	20197748	JOSUVVDMBIWDTI-STBIYBPSSA-N	443.522	5.690	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2ccccc2Cl)c1C	28215967	FJXJUOWAKJZNBH-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
Cc1cccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1	30735312	HHIPEKCDHFHVQK-FBHDLOMBSA-N	449.026	5.035	50	40	IKGB	
Cc1c(/C=C(/C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccc(Cl)cc1	32194266	PODQATDDBAWWRH-UYRXBGFRSA-N	429.907	5.468	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	34701610	BANHYSHLORUDGI-IDUWFGFVSA-N	443.261	6.684	50	40	IKGB	
CCOc1cc(OCC)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	35362328	PNOMCDXZDYCGCL-DHDCSXOGSA-N	426.314	5.495	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)cc1	40006623	HLPZDOVEZVPMOV-HZHRSRAPSA-N	426.516	5.827	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc(C)c1	59334821	OJBXJIFCTZUJLW-NDENLUEZSA-N	439.353	5.060	50	40	IKGB	
N#C[C@]1([C@H](c2cccc3ccccc23)c2cccc3ccc4ccccc4c23)CC(=O)OC1=O	104044680	AZDGGPQPYIOIOZ-DGPALRBDSA-N	441.486	6.262	50	40	IKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\NC(=O)c5ccncc5)[C@@]4(C)CC[C@@H]32)C1	118917480	PXMZBKQJYAKCCM-YAGNZHRXSA-N	449.595	5.062	50	40	IKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C#N)cc1	408608141	VDVHBUBCLWTYOQ-WSDLNYQXSA-N	434.499	5.703	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1	408734125	DHFFKOVVJZHKLV-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC(=O)c1ccccc1	408887115	MDLVHRJMJYOVKK-LDADJPATSA-N	432.863	5.113	50	40	IKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(C)cc3)c2)cc1	408889015	AQFMPQWDOYICIS-HZHRSRAPSA-N	440.499	5.296	50	40	IKGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408967536	QSTVSXHTORUPIB-DICXZTSXSA-N	437.971	5.574	50	40	IKGB	
O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1sc2cc(Cl)cc(Cl)c2c1Cl	408968885	CKVWQWHCFPIYKQ-SCDVKCJHSA-N	428.684	5.534	50	40	IKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cc2c(ccc3ccccc32)o1	409202356	RYPNZZKBNOYBOG-RMORIDSASA-N	428.231	5.565	50	40	IKGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1Cl	409318434	WMZYZQFPSMPPHZ-LJQANCHMSA-N	434.948	5.774	50	40	IKGB	
O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc2ccccc12	2277889	DELFJIIYEQNREC-UHFFFAOYSA-N	432.487	5.507	50	40	IKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)ccc1Br	18194371	HRRRLKKGBCBVSL-CPNJWEJPSA-N	434.337	5.711	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	20197686	NFUSPPUNANZYDG-MTDXEUNCSA-N	425.532	5.800	50	40	IKGB	
COc1ccc(-c2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)o2)cc1Cl	41120784	ILJRTTXPZFTDRH-GXDHUFHOSA-N	435.892	6.413	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c(C)c1	408796377	NXRLJQNCXDEICR-KOEQRZSOSA-N	432.523	6.581	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(F)cc2)c1	408813350	UBGOZBQLAVAGSO-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1cccc(F)c1	408872002	IYELGBBQEDTIMQ-FYJGNVAPSA-N	448.925	6.323	50	40	IKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1nc2ccccc2[nH]1	409059656	WHCBLPQHZKGKKY-LZYBPNLTSA-N	438.289	6.652	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	409067254	PXVWOWQVZXRCFH-SFQUDFHCSA-N	440.864	5.080	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1	409324700	UPJFJYBBZZPEIT-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)NC(=S)N1	409373439	SUKBNFSJBAYUCP-LJQANCHMSA-N	429.948	5.401	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1cccc(F)c1	409392646	NBGKTIYAFPTWAS-JMIUGGIZSA-N	433.280	6.103	50	40	IKGB	
CC1(C)CC(OP(=O)(CCl)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O	1556671	KQFJSUWTVBRWMV-UHFFFAOYSA-N	440.949	5.231	50	40	IKGB	
Clc1ccc2c(c1)Cc1cc(N(CCBr)CCBr)ccc1-2	1694600	PFZJLLLZRWMMAG-UHFFFAOYSA-N	429.583	5.507	50	40	IKGB	
CCOc1ccc(N/C(SCc2ccc(C)cc2)=C(/C#N)C(=O)Nc2ccccc2)cc1	3052452	ISZZOEZKKHJVIM-SHHOIMCASA-N	443.572	6.113	50	40	IKGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)nc2ccccc12	3351124	DCEPGOMSVRCAGY-LGJNPRDNSA-N	429.863	5.048	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	19824061	QLSLNIXVRXRLGY-OQLLNIDSSA-N	436.500	5.316	50	40	IKGB	
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C	35415721	ZREFGLLKWFJLDH-NGIXCJKFSA-N	445.648	5.259	50	40	IKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	59565603	BRTPHLHBTMUUBE-KBKYJPHKSA-N	441.236	5.965	50	40	IKGB	
CCOC(=O)N/N=C(/C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118918355	BHLVYDMAVBWYJH-JZQKJMMRSA-N	442.600	5.539	50	40	IKGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc2[C@H](C)CC1(C)C	260572290	ULMGXSLKPSQMBO-IOFNULOHSA-N	427.976	5.370	50	40	IKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	408538789	QUNASTKQJKNRAB-HAVVHWLPSA-N	434.580	6.597	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(N2CCCC2)cc1	408676655	LWHKIAQJBQCQTE-BUVRLJJBSA-N	442.009	5.917	50	40	IKGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc2c3c(cccc13)CC2	408720183	VKQBKFMQUDEBNW-WYMPLXKRSA-N	439.378	5.084	50	40	IKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)c1C	408776424	OPXJQFJCXIBFNL-UCQKPKSFSA-N	427.548	6.044	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1Cc1cc(C)cc(C)c1	408882544	OXYZIYLQXMJELV-WGOQTCKBSA-N	438.571	6.401	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1	408883185	RVQZZUFOBJLYKQ-UDWIEESQSA-N	443.459	5.037	50	40	IKGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408888046	WASZGSAFSZGESC-QGOAFFKASA-N	432.863	5.113	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccccc1F	409073671	HRTOXDAZFBVFJY-PXLXIMEGSA-N	442.490	5.687	50	40	IKGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccc(Cl)cc1	409221804	APHPFJFWDIQSCS-ROTLSHHCSA-N	447.705	5.630	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1	409368374	SEDURLZSMIEAFQ-NHDPSOOVSA-N	445.316	5.973	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC	409387155	NWOTYTNGPPOCTD-ZGUVFNMESA-N	430.888	5.045	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc2ccccc12	948716	SGUQJWUFYQUSBT-FOWTUZBSSA-N	433.294	6.952	50	40	IKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2cccs2)nc2ccccc12	2638351	VAJIKMXGOGTAAF-WYMPLXKRSA-N	426.328	6.034	50	40	IKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1	3264395	AKQZKYYFOIBISE-CTHAODRQSA-N	443.550	6.941	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(O)c2ccccc2n1	3947306	OGNKVWHNGYPHGQ-LTGZKZEYSA-N	429.479	6.132	50	40	IKGB	
O=C(Cn1ccc2ccccc21)N/N=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1	9680423	BBDXZHYRKWGLAR-OWWNRXNESA-N	429.523	5.877	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCc2ccccc2C)N1	13175732	CIBKOSHTNNECDY-XMMPIXPASA-N	441.556	5.856	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C2CC2)[C@H]1c1ccccc1	13764584	TYGIHYJGPZHSCL-GDWZEYGFSA-N	431.539	5.403	50	40	IKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1	19898522	SMABREJOXMRPNV-SILNSSARSA-N	448.551	6.612	50	40	IKGB	
Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccc(F)cc1)(c1ccccc1)C(C)(C)C	102140261	ROAAMAYRVLZXPI-YTTGMZPUSA-N	445.522	6.910	50	40	IKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	223475958	BLRGECYKTDQATI-LGJNPRDNSA-N	430.379	6.168	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Cl)cc1Cl	408580359	OVRNFKAZEFEDDD-CXUHLZMHSA-N	432.709	7.429	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1	408588996	XQJJLLIZEGMXCA-MFOYZWKCSA-N	449.164	7.943	50	40	IKGB	
N#CCC(=O)N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12	408734303	QCZHDYDJPBIMNL-LGJNPRDNSA-N	447.903	5.291	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408746853	WULSEDAVYIMAJU-BOPFTXTBSA-N	440.330	5.955	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccccc1C#N	408797472	RWJOXADOUTXFDM-BUVRLJJBSA-N	449.510	5.420	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC	408854953	LFFYYJJARYFSQI-VEILYXNESA-N	439.515	5.234	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1ccccc1F	408865296	CWXJLQPWYQJJJB-UDWIEESQSA-N	448.925	6.323	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)n1	409389178	ZPCHFGQMJYZSLT-HZHRSRAPSA-N	430.511	5.904	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)O	16158253	RTLAKJDRJAVLNH-CJLVFECKSA-N	448.478	5.663	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(F)cc1	59224928	RBYRBLPNOBCLQN-PXLXIMEGSA-N	444.506	5.911	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)NCc1ccco1	59292088	UYPHMRZUCGYJFQ-LICLKQGHSA-N	427.287	5.389	50	40	IKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)nn2-c2ccccc2)cc1	408723970	BIPMDAAQLPOXSM-JFLMPSFJSA-N	449.341	5.918	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc2ccccc2c1	408745116	JVPYQFZRYGVLOT-HMAPJEAMSA-N	425.919	6.446	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(Cl)c1	408798918	XIDMZFYAPFOIAU-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408799135	JTSIANDCGWWYAR-YBFXNURJSA-N	447.878	5.681	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2)cc1	408801379	AIKXCCSGLMLMSS-KGENOOAVSA-N	446.934	6.036	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C)c1	408812933	PVCZEKXYKYHEPN-WWCPAIPISA-N	432.564	5.575	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1	409211467	NWYQAEVFAHKUSO-QNGOZBTKSA-N	440.886	7.045	50	40	IKGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1OCC	409313906	RDKAOXFIFFKEPR-VEILYXNESA-N	444.531	5.301	50	40	IKGB	
CCCCCC(=O)N(/C=C1\Sc2ccccc2C1=O)N(c1ccccc1)c1ccccc1	8399970	JTXOKNBSSWGOEM-QQTULTPQSA-N	442.584	6.979	50	40	IKGB	
O=C(N/N=C/C1=C(Sc2nc3ccccc3o2)CCCC1)C12CC3CC(CC(C3)C1)C2	12639632	KJBCILXUOZLXCE-CVKSISIWSA-N	435.593	6.066	50	40	IKGB	
N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	15659486	ZDWRXLYVRZWQIU-JLHYYAGUSA-N	440.311	6.200	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Cl)c2C)cc1	28215973	KQVUSRLUMQGIAT-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	58871351	RLTQJPWCLKNICR-NDZAJKAJSA-N	436.555	6.480	50	40	IKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)nc2c1	106375771	ZURPULMSFWWGIE-LDADJPATSA-N	431.337	6.106	50	40	IKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408746690	VNWQDORDVWHHRW-AQTBWJFISA-N	433.895	5.080	50	40	IKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccc(Br)cc1	408754710	LIAAAEZECSAWAJ-OWBHPGMISA-N	425.307	5.739	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2cccc(Cl)c2)c1	408809526	HKHTZYKTNFWOLW-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1nc2ccccc2o1	409078232	HCTGLXIAMKWLHD-RVDMUPIBSA-N	428.360	5.501	50	40	IKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1	409212611	RIGDJMWZFHQLBF-ZHZULCJRSA-N	436.471	5.561	50	40	IKGB	
CCOc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(Cl)c1OC(C)C	2766537	PYEYWFQCCJAYAZ-UTKZUKDTSA-N	436.943	5.120	50	40	IKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	9015859	ADNJYYSLPMZDHT-ZMFRSBBQSA-N	448.866	5.224	50	40	IKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc2c1CCCC2	9075491	IQNGVJQWQJPBLK-QBFSEMIESA-N	441.603	5.965	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)cc1	9763296	FVXHCBGDQNUHND-AFUMVMLFSA-N	447.585	5.426	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(F)cc1	20195208	SGARLXLQXNFVDC-LQKURTRISA-N	434.511	5.113	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1cccc2ccccc12	35166694	GFSQXZYMISGKNQ-HAHDFKILSA-N	445.522	6.676	50	40	IKGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117457	LWDOCKXIAHSOPQ-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1	59249081	BISHONUFICNHSV-QINSGFPZSA-N	440.728	5.747	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	59334469	NFAKXKQVHWGRSE-STZFKDTASA-N	433.939	5.322	50	40	IKGB	
CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528186	GIJUSNGHBWBHRH-SNVBAGLBSA-N	436.193	6.764	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc(C)c1	107587875	PQAVAPSJWZPUPW-UCQKPKSFSA-N	437.543	6.530	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OC	408795587	LQSRQBNPTRQTNM-XDHOZWIPSA-N	448.906	5.482	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)cc(C)cc1C	408803205	MJKWTRLYWBOZLR-KUAIZFGQSA-N	446.591	5.801	50	40	IKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	408889039	AZJQJDRWXROPQY-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c1	408896166	PQSNJSVDIGEIKR-YDZHTSKRSA-N	444.962	6.698	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	408933234	IRBSNOXRPSZZHS-OPEKNORGSA-N	426.225	5.567	50	40	IKGB	
CCCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cc(C)ccc21	409037074	MWQKNTQFKAWVEV-JVWAILMASA-N	429.589	6.064	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409050641	YBEYYWLGGGXNNX-WUXMJOGZSA-N	429.225	5.957	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	409224111	KLMOPTAPVFOXCX-XMHGGMMESA-N	445.906	5.212	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)cc1OCC	409324032	QUHOHOFDECESFM-CFRMEGHHSA-N	439.339	5.344	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(c1ccccc1)c1ccccc1	409393080	UXWJMMNPZWFXCM-LQKURTRISA-N	449.337	6.536	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccccc1F	409393748	ZVUHCXHMNNKJMB-UNOMPAQXSA-N	443.478	5.752	50	40	IKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccccc1	708332	HONILTXLATVKTO-OAQYLSRUSA-N	440.572	5.082	50	40	IKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3cccc([N+](=O)[O-])c3)s2)cc1Cl	954325	DZFJBFXDFIFMRX-FRKPEAEDSA-N	438.896	5.150	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	1195038	IIPWYPGNLARBEK-CPNJWEJPSA-N	432.863	5.163	50	40	IKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\CC)c3cccs3)c3ccccc3n2)cc1	8454698	GSUVSPFOGLKKGU-SZXQPVLSSA-N	429.545	5.906	50	40	IKGB	
N#C/C(=C\Nc1ccc2ccccc2c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	9404949	SMENNUIUKLBZEA-XIEYBQDHSA-N	429.548	7.607	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1	12655191	KFGRFDJHIRKMEA-AHVROQKPSA-N	441.918	5.041	50	40	IKGB	
Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1	33352144	RAGLJGGRZCDWPH-MBTHVWNTSA-N	441.918	6.162	50	40	IKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3Br)cc2[C@H](C)CC1(C)C	260563025	FCWXVLBPQMVILH-FRQJIFLKSA-N	442.401	5.714	50	40	IKGB	
Cc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1	408553202	MRGGUHIRIKABQC-QGOAFFKASA-N	426.545	5.452	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1	408864144	WUYINOBBJVMCQS-DEDYPNTBSA-N	433.939	6.000	50	40	IKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1	408865228	BRJIMKRFMZAHCV-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC(=O)c1ccccc1	408893204	DAAGWBVMUVPGGZ-CPNJWEJPSA-N	446.890	5.422	50	40	IKGB	
Cc1ccc(NCC(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1C	409239734	DRXRVQFMGKFCEO-FDVSRXAVSA-N	428.511	5.008	50	40	IKGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)c1C	409254784	FOFRMOMLZFVFBM-FYJGNVAPSA-N	427.460	5.293	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1	1738232	HXINKTDOTMMLSI-GJZGRUSLSA-N	447.554	5.187	50	40	IKGB	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc([C@H](C)CC)cc3)nc3ccccc23)s1	2109472	STNABBJGHURHQI-OQIQZUQJSA-N	441.600	6.803	50	40	IKGB	
N#C/C(=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	8450410	HZQOZOWIBXPISC-PTNGSMBKSA-N	427.376	5.236	50	40	IKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1	9359278	WYFRPXFNMPZQQY-QGZVFWFLSA-N	441.318	5.390	50	40	IKGB	
N#C/C(=C\c1ccc(COc2cccc(C(F)(F)F)c2)o1)S(=O)(=O)c1ccccc1	13322231	UEAVVEZRXOCVPT-UDWIEESQSA-N	433.407	5.216	50	40	IKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1	16735122	BZVPQBBPVXNPNV-LPYMAVHISA-N	445.570	6.281	50	40	IKGB	
COc1cccc(-c2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)c3ccccc3n2)c1	17136294	JRPAWBAQLWVZIU-UHFFFAOYSA-N	446.894	5.030	50	40	IKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1C	58926703	QFPBUHXZLFZYJQ-DHRITJCHSA-N	425.985	5.439	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(OC)c1	59224949	GCPYEAFCCSVPAH-KGENOOAVSA-N	430.479	5.521	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)cc1	59335850	GTUHIFOGGKOSST-QNGOZBTKSA-N	448.526	5.443	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc([N+](=O)[O-])c1	108932364	PZPULRBBAZOPGM-ZDLGFXPLSA-N	448.309	6.969	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408568461	JIFZSPOQZZVOST-BOPFTXTBSA-N	426.882	6.423	50	40	IKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1C	408587772	HFTAGZNAQMRQPP-DHRITJCHSA-N	430.335	5.102	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(Cl)cc1Cl	408719256	KJXHCOUIRDHHHP-RPPGKUMJSA-N	444.318	5.130	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408799793	LFAFCTZCGWMLIS-FOWTUZBSSA-N	429.314	5.182	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408873068	MNYSNQQHOPGYJJ-LDADJPATSA-N	425.290	6.269	50	40	IKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409207802	AFBPFBAVJGUZDG-RMORIDSASA-N	439.751	6.149	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OC)c2)cc1OCC	409314846	HJZLXPWJTBMEDA-MYYYXRDXSA-N	448.947	5.089	50	40	IKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2cccc(Cl)c2Cl)o1	818727	IEZDCNFHFMAMPA-GOSISDBHSA-N	429.303	5.704	50	40	IKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc(Br)cc2)cs1	1839504	YKGOPMWODPLSRP-JLHYYAGUSA-N	448.292	6.151	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	2120620	CKEZGFZETZHCNE-OVCLIPMQSA-N	442.862	5.307	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(Br)c1	9190143	UOMDOPPZGNOHGY-SRZZPIQSSA-N	448.114	5.236	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(O)cc1	9261685	HDYJUWXNDLLOCF-LFIBNONCSA-N	426.303	5.652	50	40	IKGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C(C#N)=C(SCc2ccccc2)N1	9553892	CGUDBLSDTJOMPZ-DEOSSOPVSA-N	438.556	5.350	50	40	IKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	44827268	ITEIJEMUSDUXNG-XMHGGMMESA-N	442.475	6.501	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1	59137077	ZYWXSDPAIWNLCC-ATVHPVEESA-N	438.300	5.541	50	40	IKGB	
COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1	101730723	INASUZYCPWYHBA-WLRTZDKTSA-N	439.851	5.455	50	40	IKGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1	102627011	IWJXXCIURXJBCV-QFIPXVFZSA-N	447.560	5.792	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	208245505	BJGUXLPYPLXGBD-DSKMXOTJSA-N	434.367	5.245	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccccc1	408568867	XDWJIURLFRJMTH-BKUYFWCQSA-N	439.490	6.082	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)c(Cl)c1	408752320	DINCSAADLOAZBZ-NUGSKGIGSA-N	428.102	6.324	50	40	IKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	408760430	YNYQAESTDRMUNV-LQKURTRISA-N	444.966	5.919	50	40	IKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c2ccccc12	408800017	MUFBYVOZMNRITM-NBVRZTHBSA-N	434.923	6.226	50	40	IKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1cccc(Cl)c1	408881405	MYJMLQOYSYJWJI-LICLKQGHSA-N	444.834	5.458	50	40	IKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	408883876	SACDLRQZWZEEIL-MSIWHDFOSA-N	441.369	5.305	50	40	IKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1C	408933507	BBSUIDOHDLUIPY-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(-n2cccc2)c1	409099777	LOFGTDVLVLVEIJ-ONUIUJJFSA-N	431.948	6.046	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1OC(=O)c1ccccc1	1439429	WRFGWLSMNNPJHE-HYARGMPZSA-N	440.499	5.385	50	40	IKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	1773173	BAUFMTPMRKHKAN-ATVHPVEESA-N	437.282	5.758	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2ccccc2cc1O	1946273	IVIARGGVJPKFGK-BRJLIKDPSA-N	425.271	5.876	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)ccc1OCc1ccccc1Cl	9334933	LUYGZYUQZOUPAN-NRFANRHFSA-N	441.314	5.387	50	40	IKGB	
O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1sc(Nc2ccccc2)nc1Cl	12531710	CGCKECSGAJYMBA-ZMOGYAJESA-N	428.989	5.597	50	40	IKGB	
Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)c2ccc(C)cc2)cc1	26841264	KIVJIPLOKYIUEC-UHFFFAOYSA-N	430.598	6.619	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	28216998	LAQGTEKJTCTTEK-AFUMVMLFSA-N	446.403	6.033	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	34795067	ULIZHKDCKAPUAT-OGLMXYFKSA-N	434.967	5.909	50	40	IKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)[nH]c2c1	35085018	LPWGHPQBAJKCKO-HMAPJEAMSA-N	427.511	6.119	50	40	IKGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1	59920884	IWCOBMYGJAXHHY-BRJLIKDPSA-N	447.705	5.630	50	40	IKGB	
CC(=O)OC/C(=C\C#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118930450	GTNLNZAZXARJCQ-AXXRFEFSSA-N	441.612	5.590	50	40	IKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408731980	NTQJOTFPVQOOIT-GZTJUZNOSA-N	449.297	6.364	50	40	IKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2)cc1	408879458	GHUZYLLECZKJCW-FYJGNVAPSA-N	427.460	5.336	50	40	IKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl	408883646	QPLVJPDZXPYVCV-ZMFRSBBQSA-N	443.330	5.653	50	40	IKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)o1	408886926	KBHAHHIXQUFDDO-GXDHUFHOSA-N	437.839	5.371	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C	408967067	PBIRKDDCRZGMGI-UNOMPAQXSA-N	438.358	6.509	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1	409186716	GXSWHNRQEXQDSK-ZVHZXABRSA-N	440.341	5.019	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)ccc1Cl	3173194	BBFUTGYPUYUASK-FOKLQQMPSA-N	431.279	5.073	50	40	IKGB	
Cc1cccc(NC(=O)NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1	3205869	ZEEBEAYSHMICKA-UHFFFAOYSA-N	431.432	5.927	50	40	IKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cccc3ccccc23)cs1	8763514	VIFLUIFQOUGZDU-XMHGGMMESA-N	449.491	7.196	50	40	IKGB	
COc1cc(C(=O)N/N=C(\C)c2ccc3c(c2)Nc2ccccc2S3)cc(OC)c1OC	9442552	DCJICECKMPWBRJ-VULFUBBASA-N	449.532	5.075	50	40	IKGB	
CC(C)OC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)ccc1Cl	16575514	XIASCYAFBGELCS-LFIBNONCSA-N	431.879	6.106	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)/C=C/c2ccccc2)cc1	19630177	RWKXQYCWBVEZDK-BXLDVUMGSA-N	439.559	5.790	50	40	IKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1Br	20760088	CXOJQKZKQZDPMP-ZMOGYAJESA-N	443.728	5.445	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	33337404	KCPSPSFHPFIQMV-STZFKDTASA-N	439.946	6.506	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12	59272316	GBTJHEAEIDRQEN-PXLXIMEGSA-N	438.914	6.618	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1	59445175	YVJROUNZHAFDSG-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1	59536038	RPFSODIZMXMNEL-FYJGNVAPSA-N	446.934	6.172	50	40	IKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC#N)CC[C@]4(C)[C@H]3CC[C@@]21C	118932776	PFFFOIVMEXOESX-FVEYCNCKSA-N	427.742	8.611	50	40	IKGB	
C[Si](C)(C)O[C@]1(C#N)c2ccccc2CCc2ccccc2[C@]1(C#N)O[Si](C)(C)C	195752963	ZVGFHOJNOGGLTR-PSWAGMNNSA-N	434.688	5.626	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1	223481373	ZRBLPRXWVUSXGS-STZFKDTASA-N	429.564	6.041	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc(Cl)cc1Cl	408578933	BYGGHJDJPJAVBU-CXUHLZMHSA-N	449.164	7.943	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F	408579545	HPDLPZGAKJPDCW-WOJGMQOQSA-N	442.317	7.174	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1)c1ccc(Br)cc1	408580690	QWQJUTIMAQIWNP-UDWIEESQSA-N	434.289	5.790	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	408580716	RFDLBFRIHXCIIA-WOJGMQOQSA-N	425.271	6.545	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1C	408768476	GBJKUBGIJAQZES-MOSHPQCFSA-N	448.364	6.019	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C)c1	408803665	RSJHDTPSQMQEOL-JJIBRWJFSA-N	432.523	6.581	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)cc2)cc1	408812513	SQMLIRNMBYHLLG-KGENOOAVSA-N	428.488	5.137	50	40	IKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1	408856864	LRPCLPDXHPZRGF-DICXZTSXSA-N	448.906	5.828	50	40	IKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	409120873	WRUJICJFIOMWQD-MJDKSPQASA-N	425.985	5.687	50	40	IKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409122782	BPALLAONLWICSF-NRFANRHFSA-N	441.314	5.387	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)NC1CCCC1	409190035	VABVLRWIVXAIKP-QNGOZBTKSA-N	440.499	5.083	50	40	IKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1	409226344	NAUFXDKSTXAXLQ-FIOJILPZSA-N	432.523	6.203	50	40	IKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1	954277	QLVDANXMQGLROU-LZYBPNLTSA-N	428.344	5.895	50	40	IKGB	
N#C/C(=C\C=C\c1ccccc1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1	1099123	MPSKSXVURHRDRF-YKAMVQGYSA-N	429.526	6.337	50	40	IKGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1	2513693	DRWDKNLFMDGJRR-BENRWUELSA-N	439.890	6.340	50	40	IKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1	2730233	GCQRWFUXBFPMER-WYMPLXKRSA-N	436.231	5.023	50	40	IKGB	
C/C(Cc1ccc2c(c1)OCO2)=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12	9034259	FIVSRQYRXFWUQU-CVKSISIWSA-N	429.501	5.040	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccc(Cl)cc1	9234345	SBFHEHFXNVPZQW-XMHGGMMESA-N	448.906	5.482	50	40	IKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1C	13096879	SNKYNOMBVFIGOB-OQLLNIDSSA-N	446.548	5.985	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	33667411	GTNDXXCCUBAWGB-STBIYBPSSA-N	435.483	5.063	50	40	IKGB	
FC(F)(F)[C@H](Br)[C@@](F)(Br)Oc1ccc(Br)cc1	97437823	SJJGACJBVGTRLW-SFYZADRCSA-N	444.842	5.172	50	40	IKGB	
O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Cl)c1	103600290	IDQACDQGNMAAIG-ZMFRSBBQSA-N	448.862	5.127	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1	408582721	PNARGTHPSHZAEK-XDHOZWIPSA-N	438.296	6.240	50	40	IKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408746372	SELFJNBSQKHTLC-ZROIWOOFSA-N	447.716	5.222	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	408771816	KJGFZAMIYPGQBG-XNTDXEJSSA-N	441.314	6.586	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	408874835	BJDINPFFASCCRD-KGENOOAVSA-N	427.460	5.282	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2cc(C)cc(C)c2)c1	408897573	YJRKLQAMXSVAFT-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	408897776	TYJJQVVGYSDKDG-RVDMUPIBSA-N	441.712	6.217	50	40	IKGB	
O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccccc1	408924268	MKMINXFHVQVTIG-NDZAJKAJSA-N	430.507	6.336	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2c1	409011008	FHPFITKJMLLYAG-QRQIAZFYSA-N	440.499	5.053	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1Cl	3139449	HICHRTKFFXZUPV-OGLMXYFKSA-N	444.918	5.295	50	40	IKGB	
CCOc1ccc(/C=C(/C(=O)c2ccccc2)N2C=CC=CC2=C(C#N)C#N)c(OCC)c1	4424966	MZMAUZQIKVUVRL-XYGWBWBKSA-N	437.499	5.395	50	40	IKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1cccc(Br)c1	8843129	QHNBAHOEUHLXFT-XQNSMLJCSA-N	433.415	5.542	50	40	IKGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1cc(-c2ccccc2)nc2ccccc12	15922491	GGYSCBKGLAMWKM-UHFFFAOYSA-N	425.491	6.065	50	40	IKGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccs1	19833181	GBVHEWYJRHZSSI-FMCGGJTJSA-N	440.981	5.042	50	40	IKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28216433	ZDDLBXBTCBVKSR-WJNWYLSZSA-N	446.403	6.032	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59249812	IGXGQYHPVJYGSZ-MYKKPKGFSA-N	445.306	5.255	50	40	IKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c3ccccc32)cc1	59335849	BUNBHBMUVLRLQE-QNGOZBTKSA-N	448.526	5.443	50	40	IKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59474250	MWWQVSQDPFTQTQ-CVKSISIWSA-N	438.980	6.183	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1	59513172	QGZVNFHXFXOSAR-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@H]2C1	100682400	DXRNFIVTELFJLN-ZAAXVRCTSA-N	435.369	5.315	50	40	IKGB	
N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12	102674320	TYGIHYJGPZHSCL-SATIQFTFSA-N	431.539	5.403	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(Br)c2ccccc12	111902615	NVPRCGWWGIMDSK-SFQUDFHCSA-N	434.337	5.195	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	408868023	NEIINERARBQCKU-WLRTZDKTSA-N	425.699	5.017	50	40	IKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C	408956854	YUGBJCZWGNWEHK-IWIPYMOSSA-N	436.559	5.458	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(Cl)ncc1F	409374337	MUMFBSIHYVCQSZ-NTEUORMPSA-N	435.846	5.401	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)[nH]c2c1	409392659	RBSWXBBKLSBFSD-WQRHYEAKSA-N	445.906	5.877	50	40	IKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1c(F)cccc1Cl	985562	NQGBXJBPAGACKR-CQSZACIVSA-N	435.673	5.394	50	40	IKGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccsc1	1088172	INNRRXQIQHHHTG-MHECFPHRSA-N	441.531	5.586	50	40	IKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2)c2ccccc12	2726945	OUQYAJJSQSEPOR-KGENOOAVSA-N	439.946	6.506	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1Cl	15223223	BQYZQQPLFKNUSZ-PDGQHHTCSA-N	434.879	5.179	50	40	IKGB	
CC[C@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1	20146228	UIMKOQJUGQPAEX-OJQDQQHHSA-N	430.548	5.812	50	40	IKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1ccc(Cl)cc1	33371616	FPDJFERVAHVINJ-WPWMEQJKSA-N	443.890	5.114	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc2ccccc2c1	33396951	UPNYDLQAMUUCQK-OYKKKHCWSA-N	445.522	6.676	50	40	IKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	108178839	RWTRURUBDUNZLT-AFUMVMLFSA-N	429.432	5.089	50	40	IKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1	209491860	QVELYQWUBYUYBX-CIAFOILYSA-N	448.316	6.099	50	40	IKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1	216038698	OYOAGUOVHYOVBZ-VYYCAZPPSA-N	441.358	5.882	50	40	IKGB	
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408528225	DOBSIFFVJJKURH-GDNBJRDFSA-N	444.285	5.082	50	40	IKGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)c1	408706553	BJCPYACEBFXVHM-MZJWZYIUSA-N	448.954	5.406	50	40	IKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccccc1	408745316	LJVLAEYWXVAUDV-QJOMJCCJSA-N	427.507	6.388	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1	408746640	URFUZEYTRUKCPH-ZHZULCJRSA-N	432.907	5.863	50	40	IKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408748193	ZVHWWYBWYMDLAV-GHXNOFRVSA-N	440.124	5.700	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2cccc(Cl)c2)c1	408852856	WJKJDHPJMKJKDM-LDADJPATSA-N	436.870	5.612	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Cl)cc1	409072490	SFGBXTMFNJTPRN-SFQUDFHCSA-N	449.919	5.357	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1OCC	409325763	AUHKEPWLXKLIGV-VEILYXNESA-N	446.547	5.525	50	40	IKGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c2ccccc2n1Cc1ccccc1Cl	409364592	OBFUCGMDHUNXTP-SUVJBDQISA-N	433.983	5.928	50	40	IKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])c1	409393440	XHKJLZAPCIVUOR-WPWMEQJKSA-N	439.471	5.445	50	40	IKGB	
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1cccs1	708358	JRMVLSYTSGYMGH-LJQANCHMSA-N	446.601	5.143	50	40	IKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1	2312560	ONAODNWFMQDTRF-DEOSSOPVSA-N	443.572	5.104	50	40	IKGB	
Cc1ccc(C(O)(C(=O)N(/N=C/c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1	15240137	CVYFBJMVRCSSGP-MWAVMZGNSA-N	434.539	5.607	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)cc1	27563340	YFFYFOWFRYJHEO-HMMYKYKNSA-N	447.560	5.933	50	40	IKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1	33530620	DPRRFVINEMRXSP-LSCVHKIXSA-N	438.842	6.039	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(F)cc1	59296893	QQHOWSWVTJWMPO-DEDYPNTBSA-N	434.898	6.166	50	40	IKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(Cl)cc2)CCCCC1	225550541	NVLOCZDNNIYMQH-UHFFFAOYSA-N	436.777	5.954	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)cc1Br	408586329	MYDNWMWNKIAYMA-NVNXTCNLSA-N	433.132	7.389	50	40	IKGB	
COc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)cc1	408735505	TUZMJJLKVOQQRM-XSFVSMFZSA-N	432.907	5.782	50	40	IKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408808164	DXPLZWUFDFDWMS-KGENOOAVSA-N	446.934	6.252	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1	408884140	XVDQSIFDLOXZPW-XDHOZWIPSA-N	432.863	5.163	50	40	IKGB	
Cc1cc2c(cc1/C=N\NC(=O)c1ccc(-n3c(C)ccc3-c3ccccc3)cc1)OCO2	408934840	DINWQUHDKFEVJS-NTFVMDSBSA-N	437.499	5.254	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cccc(Br)c1	409183084	ADJZIVLXLATFJP-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)sc2c1CC[C@H](C)C2	1260316	CCNQURKMAPXPBY-DLEKYWELSA-N	447.560	5.087	50	40	IKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1	2341284	YRLPGUBALAMOMH-DEOSSOPVSA-N	449.019	6.826	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1Cl	2632517	YUHVZEIXDIUPIN-DEDYPNTBSA-N	432.907	5.782	50	40	IKGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccccc1OCc1ccc(F)cc1)C(O)=N2	3285774	PLSCKBCATZJAJC-UHFFFAOYSA-N	431.467	5.264	50	40	IKGB	
CCOC(=O)N/N=C(/C)[C@H]1[C@H](CC)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	4524482	KYGNNLDSEWCYTO-DZSCDMDESA-N	430.633	5.684	50	40	IKGB	biogenic
CCCCCCCCCCCCN1C=C/C(=C\C=C(\C#N)C(=O)OCC)c2ccccc21	8427308	ZDNWLWMMEQAVHR-UYMKXGBOSA-N	434.624	7.338	50	40	IKGB	
CCc1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	8927825	OJEOAJGVRQBKLA-FOWTUZBSSA-N	444.472	5.364	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	9259734	LZLBKTPSNHFMJU-PGMHBOJBSA-N	428.536	5.105	50	40	IKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	16268519	OMQVEKFGLDULNM-PDGQHHTCSA-N	439.437	5.667	50	40	IKGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	32788449	MSVSAXAWOHJOMA-NTUHNPAUSA-N	435.705	5.055	50	40	IKGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1O	59473729	NEOROWHNWOVJKK-ZMOGYAJESA-N	426.925	5.110	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1	408580119	AKDQHNYNBCMROY-VCHYOVAHSA-N	444.745	7.299	50	40	IKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3C)cc2-c2cccc3ccccc23)cc1	408727872	YJBMWFYHXDQLCJ-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	408749574	QSFLBJNZFVLMTB-SSDVNMTOSA-N	427.938	5.452	50	40	IKGB	
O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(CSc2ccccc2)cc1	408881610	JKXZSQANTJGWKZ-AFUMVMLFSA-N	434.586	5.237	50	40	IKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408922982	HZHKSSGJLZOACG-LZYBPNLTSA-N	444.749	6.600	50	40	IKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1	409236864	HQAHALUDDKXHRZ-MOHJPFBDSA-N	427.548	5.149	50	40	IKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(Br)c1	409242112	MBGAMBMYDJFPCA-CIAFOILYSA-N	431.308	6.655	50	40	IKGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc(C)c1	409247576	DJVCYADPQBQRNN-VYYCAZPPSA-N	440.902	5.068	50	40	IKGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccc(C)cc1	409250640	RMXIHJZDNLNKHV-RHANQZHGSA-N	446.522	5.143	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)n1	409377725	JFOFLRYDYCTVOZ-VCHYOVAHSA-N	426.303	5.633	50	40	IKGB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1cccs1	1453712	XBFMIJSECKKRNV-GXDHUFHOSA-N	442.949	5.852	50	40	IKGB	
O=C(NNC(Nc1ccc(Cl)cc1)=C(c1ccccc1)c1ccccc1)c1ccccc1	3077708	ROHAFHWHXDZQFB-UHFFFAOYSA-N	439.946	6.104	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1	9311563	GORFLXPEVBMZCW-PTNGSMBKSA-N	436.851	5.243	50	40	IKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Cl)s1	13514539	IQGYXOIFQPIDLK-LGJNPRDNSA-N	440.355	6.424	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nc2ccccc2s1	13550165	AYIPMDRMYRETQF-XMHGGMMESA-N	434.524	5.845	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1	20764470	AYUIBYRPOJFNGK-VULFUBBASA-N	443.330	5.735	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc2cccnc12	33406216	YPKFOKUSUSUDID-LGMDPLHJSA-N	433.389	6.059	50	40	IKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	33432041	VGRYJIAMNPDAMU-HAHDFKILSA-N	431.451	6.263	50	40	IKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	34716279	FUKMDNIGSKILBQ-DEDYPNTBSA-N	440.971	6.470	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1-n1cccc1	44835455	HNKOAILHZQJJQM-ZVHZXABRSA-N	434.839	5.063	50	40	IKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1O	100063727	KKASWYLJHBFQHG-XHLNEMQHSA-N	441.575	5.001	50	40	IKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O	102535276	UGTGFQYONGHWIP-ZGQMNJRFSA-N	436.899	5.607	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1	408800582	PYUGWWPHWHXOBQ-XSFVSMFZSA-N	446.890	5.251	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	408812257	MKBYEHXUHVSXNW-LSCVHKIXSA-N	443.913	5.895	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cc(C)cc(C)c3)ccc3ccccc23)cc1	408869930	RBCVWBYQZJEWKL-NLRVBDNBSA-N	430.551	6.902	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1Cl	408991305	ZTHJELXHIARFSU-GRSHGNNSSA-N	448.910	5.818	50	40	IKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3Br)n2)cc1	1307758	KYRHZJQEUPINCJ-FOWTUZBSSA-N	440.366	6.256	50	40	IKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1	12564870	LMUSDELPFRNPKF-AIZPKQFESA-N	433.766	6.355	50	40	IKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	13590407	CJEOMUGDAHZTAV-WAVLZSIDSA-N	431.363	5.849	50	40	IKGB	
CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	17113290	KZAUDVPGOZUGDR-LDADJPATSA-N	448.504	5.508	50	40	IKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	28215806	QOJHAARHSLAAPP-BRJLIKDPSA-N	446.403	5.784	50	40	IKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl	33828354	IBEFGAXIOXKURS-MSXFZWOLSA-N	445.306	5.002	50	40	IKGB	
O=C(Cl)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1	226359411	OZTPPZDAACFDNI-UHFFFAOYSA-N	432.417	5.869	50	40	IKGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)ccc1Cl	408599069	OGYRQHWVMDOMEA-VULFUBBASA-N	438.911	5.448	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccccc1Cl	408725613	MQXPQVZOCYTJSF-MRERYDRTSA-N	440.971	5.594	50	40	IKGB	
Cc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2C)n1	408727870	YIRAYDNAMRGZKE-NDZAJKAJSA-N	444.538	6.073	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Br)cc1	408737843	IFABJGLRRUXTJU-FSJBWODESA-N	430.733	5.274	50	40	IKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)c1	408748081	YCGJNPIJYCJVHJ-ATVHPVEESA-N	435.277	5.457	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1F	408788863	MQIGVVWGBLPCHI-HYARGMPZSA-N	444.506	5.966	50	40	IKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408812484	SPGIHBUGGRWSFV-XYOKQWHBSA-N	447.705	6.461	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccccc1Br	408857378	UMSVXQZSNVTHGE-CFRMEGHHSA-N	436.309	5.367	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)c1	408877012	SBOAQXNAPPWVFH-RCCKNPSSSA-N	431.333	5.894	50	40	IKGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C	409019496	SVNVCDCRIOHRRX-ZRGSRPPYSA-N	449.894	5.264	50	40	IKGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1	1777127	CLNFUSRKOMIFCN-SFQUDFHCSA-N	443.842	5.751	50	40	IKGB	
CCOc1cc([C@@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)ccc1O	9015519	RRZZYXVLKBWMIZ-FQEVSTJZSA-N	430.529	5.216	50	40	IKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl	35103557	HXUIXHAPUXYAJB-JHAVZTMOSA-N	431.901	5.404	50	40	IKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)c(C)c1	59335449	ZLTNKXJLGMZYNB-HMAPJEAMSA-N	427.504	5.043	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)cc1	59336303	ZRSZKFPYRIICBJ-WJDWOHSUSA-N	428.294	6.086	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc(C#N)c1	408567236	KXUKACAVOLDTRD-JMIUGGIZSA-N	449.735	6.617	50	40	IKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1	408568720	WGZXQJHANWVMAO-BUVRLJJBSA-N	429.358	5.004	50	40	IKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1[N+](=O)[O-]	408599709	YVOBIYZJQCQFJB-LQKURTRISA-N	448.482	5.515	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408742677	BQHAMKULJFTXOT-HKWRFOASSA-N	443.459	5.118	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)c1	408764363	RFYJSBGSEJGPKN-XMHGGMMESA-N	438.487	5.086	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1	408787912	AURBNTJOHXXQHM-CVKSISIWSA-N	446.348	5.774	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl	408816544	WIPBKFCVEOIJEZ-YBEGLDIGSA-N	428.294	6.086	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccc(C(F)(F)F)c1	408963717	ORPLRFXLIBYFPT-MRUKODCESA-N	436.773	5.081	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c(Cl)c1	409054881	WDORDYZIJHODAR-RPPGKUMJSA-N	431.294	5.784	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1	409065155	GRKHKGXVGFMHOL-DEDYPNTBSA-N	440.455	5.568	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1cccs1	409204228	CWLNVYQDVWYQHS-LDADJPATSA-N	431.948	5.628	50	40	IKGB	
Cc1cc(C)c(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c(C)c1	1739448	SANMSYUPCDAQOR-CVEARBPZSA-N	425.164	5.450	50	40	IKGB	
BrC[C@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1	2048201	QUPFEIXIGKMCQU-IBGZPJMESA-N	437.385	5.201	50	40	IKGB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	4196609	MHNVHJASQHYEFF-XSFVSMFZSA-N	434.879	6.079	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccccc1Cl	9010568	MKYVQYVGESOJAB-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	9187120	SPWZATANDQVPRP-RVDMUPIBSA-N	432.892	6.340	50	40	IKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)cc1C	9720813	CIAKJNIBMNOATR-JCMHNJIXSA-N	439.515	5.175	50	40	IKGB	
Cc1cc(OCCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)ccc1Cl	13894380	HUPPTNAFWYICJC-YZSQISJMSA-N	437.927	5.652	50	40	IKGB	
CCOc1c(I)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC	33387945	AMVKMGFYKBNRNU-ZSOIEALJSA-N	439.680	5.416	50	40	IKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)cc1	33417008	XGJUFJIAVVQZHO-WPWMEQJKSA-N	432.520	5.114	50	40	IKGB	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	43677060	FRPJXPJMRWBBIH-KPUUQYQLSA-N	440.411	5.182	50	40	IKGB	biogenic,world
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)c1ccccc1	58917346	JZIBDMUZYQKRMF-RNRKLAHPSA-N	430.335	5.239	50	40	IKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(Br)c1	59426434	CGUIZUZDCQHTES-UFFVCSGVSA-N	448.660	5.035	50	40	IKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2	59921340	OGTPFGUUWKNSOI-OPEKNORGSA-N	443.286	5.065	50	40	IKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c3ccccc32)c1	408542905	LSTDFHRSFCNPEE-STZFKDTASA-N	435.483	5.351	50	40	IKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1	408725935	QXDCFOFRKBSJIA-VUTHCHCSSA-N	446.510	5.465	50	40	IKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	408726553	SVQFNPHFXNSAAU-HAHDFKILSA-N	426.516	5.827	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408726887	VNZJOUMJWSGIGI-JYRVWZFOSA-N	435.705	5.055	50	40	IKGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408727124	XIJZNBOTTZHGRS-ZROIWOOFSA-N	449.732	5.446	50	40	IKGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1CC=C	408818965	ZKOKYAGGYZBNFL-OYKKKHCWSA-N	439.309	5.253	50	40	IKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)cc1C(C)C	408843906	GBXCIIIXAPWIDT-WOJGMQOQSA-N	441.369	6.134	50	40	IKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c(F)cccc2Cl)cc(C(C)(C)C)c1O	408922657	FTORWTOBSMXVTA-MZJWZYIUSA-N	432.967	5.863	50	40	IKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	409052885	BEKNDDBGJJEEFM-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409080315	MXSPLUNGYAGXKE-LFIBNONCSA-N	432.348	5.268	50	40	IKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C	409233772	XAZGQQAJLLIEAF-KQWNVCNZSA-N	431.967	5.712	50	40	IKGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cccc2ccccc12	409324900	WEAFMWSYVFULIE-UYRXBGFRSA-N	437.411	6.513	50	40	IKGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1C	2754264	SZSUGFLNGONMTD-AFUMVMLFSA-N	437.337	5.409	50	40	IKGB	
O=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)[C@H]1COc2cc3ccccc3cc2O1	8384745	KLZMQIKONDJXSJ-BZHYDHQASA-N	432.863	5.043	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C/c3c(C)n(Cc4ccccc4C#N)c4ccccc34)[nH]c2c1	9263608	DWCJYOJBZQIKPZ-FYJGNVAPSA-N	443.510	5.819	50	40	IKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1O	33361407	VRSLVBYPNTWNHL-ZRGSRPPYSA-N	438.314	5.466	50	40	IKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	59117461	NFXUAUVUZNBUGX-XDHOZWIPSA-N	437.326	6.427	50	40	IKGB	
N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2ccc(Br)cc2)cs1	100746550	ZYSBAPVQVDUIDH-FOWTUZBSSA-N	433.334	6.097	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1	408742937	QROKDRSCCCBSHW-YVLHZVERSA-N	441.289	6.257	50	40	IKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	408792208	JNVRWMMZXRZVKN-QGOAFFKASA-N	429.882	6.028	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408884303	WTBMCDOPEPGDFF-CPNJWEJPSA-N	432.863	5.163	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl	409052732	JINIXUWAQZLRIK-RPPGKUMJSA-N	447.749	6.298	50	40	IKGB	
Cc1cc(C(=O)NN=C2CCC(=NNC(=O)c3ccc(Cl)c(C)c3)CC2)ccc1Cl	409179640	QVHSDHVAWWVTBB-UHFFFAOYSA-N	445.350	5.056	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1Cl	409191483	XAQIEHFPCLESEX-YVLHZVERSA-N	445.346	5.547	50	40	IKGB	
O=C(Nc1ccccc1)NN(C(=O)Nc1ccccc1)c1nc(-c2cccc(O)c2)cs1	1415260	YGVSLVRZMYLICE-UHFFFAOYSA-N	445.504	5.291	50	40	IKGB	
COc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2)cc1	3089812	LYIUVRKSLOPUAQ-DHRITJCHSA-N	442.302	5.018	50	40	IKGB	
CC(C)[C@@]1(Cl)CC[C@H]2[C@](Cl)([C@@H](Cl)C[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)[C@@H]1Cl	4403856	CUPOGARAUNRNNM-AEOKPUCASA-N	444.270	6.523	50	40	IKGB	in-vitro
Cc1ccc(OCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1C	6788733	UYCFGUCBZCRHSS-NTFVMDSBSA-N	425.532	5.144	50	40	IKGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2c1	8721526	WLAVWXHISLWAPY-GXDHUFHOSA-N	427.287	5.709	50	40	IKGB	
O=C(NNc1nc2c(F)cc(F)cc2s1)c1cc(-c2cccs2)nc2ccccc12	9381931	SDWRQERSVNSAQU-UHFFFAOYSA-N	438.484	5.608	50	40	IKGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1	16216751	GACGOBSBUCGLFN-KGENOOAVSA-N	439.490	5.061	50	40	IKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	20197253	MHWQOENKYPRAEP-VUTHCHCSSA-N	438.527	5.972	50	40	IKGB	
COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1	33779753	WTMZWXISEKCOQY-YUMHPJSZSA-N	443.503	5.039	50	40	IKGB	
CCCCCCCC/C=C/CCCCCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	97972342	MTMAKIKJYDIOAT-GHCBSEJDSA-N	429.605	7.082	50	40	IKGB	
CCCCCCCCCCCCS(=O)(=O)C[C@H](Br)C(=O)c1ccco1	104194862	IIRSREASMCVHFG-KRWDZBQOSA-N	435.424	5.562	50	40	IKGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC	207831827	ZCJBCNAWNLSHGE-SXGWCWSVSA-N	429.314	5.019	50	40	IKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21	208241952	JYCVGVZCYLHGTH-XTIFCCNPSA-N	428.363	6.261	50	40	IKGB	
C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	209489341	MIXOTRWGMKPRSK-WOJGMQOQSA-N	445.300	5.627	50	40	IKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(C(=O)O)cc1	408540897	CMQLFNRTEKSAMM-NVMNQCDNSA-N	442.273	6.474	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)c(C)c1	408780805	LCVMLHXXTMELFI-BWAHOGKJSA-N	431.539	6.615	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc(F)c1	408806758	BRCHVHUYGSNKOD-RLDUHEAQSA-N	436.527	5.405	50	40	IKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)c1	408889163	FHEIIGJUHQYYHR-LPYMAVHISA-N	430.935	6.390	50	40	IKGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)c3ccccc3)cc2Cl)cc1	409042445	MZJQIYBEKOYPRB-WOJGMQOQSA-N	444.339	6.134	50	40	IKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	409147812	WIEXMRQPDSOIKR-JOCHJYFZSA-N	439.298	5.496	50	40	IKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)cc3C(=O)OC)n2)cc1	1300954	IQIBVJCFJFPMGK-GHRIWEEISA-N	449.532	5.153	50	40	IKGB	
Cc1cccnc1N[C@H](c1cc(Cl)ccc1O)P(=O)(c1ccccc1)c1ccccc1	2163393	GZYQHNMOZYRGBZ-VWLOTQADSA-N	448.890	5.874	50	40	IKGB	
N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1cccc(Br)c1	2970675	SYJLDOVIOXNGAM-NTEUORMPSA-N	428.669	6.125	50	40	IKGB	
Cc1cc(C)c2nc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1	8860116	MJNRSWQTQVNSFP-UHFFFAOYSA-N	430.558	5.947	50	40	IKGB	aggregator
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1	9015526	GEEFZQPAQSQMRI-BHGWPJFGSA-N	425.275	5.006	50	40	IKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057365	NEVUVSVTNLELEQ-LDADJPATSA-N	433.851	5.373	50	40	IKGB	
CC[C@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1	9969766	RVHNWEYOSNOXPX-GBZINIMXSA-N	431.536	5.207	50	40	IKGB	
COc1ccccc1OC[C@H](CCl)S[C@@H](CCl)COc1ccccc1OC	100940374	HUAQWOFZRSLXFQ-HOTGVXAUSA-N	431.381	5.110	50	40	IKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3Br)cc2[C@H](C)CC1(C)C	208301589	ANBUPMHAWJYTHK-LZCVXGSNSA-N	428.374	5.325	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OC	408581948	JYGASGFHWUHORV-YBFXNURJSA-N	440.326	6.654	50	40	IKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	408771776	CQRTUWGFTBBHTO-MHWRWJLKSA-N	441.314	6.586	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1ccc(Br)cc1	408872643	IBPLMVNCZQYJNH-CPNJWEJPSA-N	435.296	5.725	50	40	IKGB	
Cc1ccc(C(=O)N/N=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)cc1	409065439	SFTOSBFANYUXBZ-KKMKTNMSSA-N	434.858	5.287	50	40	IKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	409071608	HMMTVPLLKADYCD-CPNJWEJPSA-N	439.920	5.571	50	40	IKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1	1805727	IJUPHEDNHRQMCO-QGOAFFKASA-N	432.501	5.146	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)cc1C	2159638	FJBXQVNSCKJSMV-MUFRIFMGSA-N	435.527	6.374	50	40	IKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C\c2ccc(OCCN3CCCCC3)cc2)cc1	4742436	MUUKKXFHCZPDEJ-ROMGYVFFSA-N	447.623	5.336	50	40	IKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1	6142230	QLCYJBNSKSCSQS-CXUHLZMHSA-N	428.344	5.895	50	40	IKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2C1	9693221	KRPJWEVQKKIKNO-INIZCTEOSA-N	430.360	5.521	50	40	IKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	10130434	WVUCQEBBXVVEKJ-LWLPBDFMSA-N	433.335	6.033	50	40	IKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCCCOc1ccc(CC)cc1	12285082	OHAHJLGKUGHHAB-VFCFBJKWSA-N	446.547	5.260	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc(C(=O)O)c1	33489353	JXPFJZHAFKTZGG-ZDLGFXPLSA-N	437.854	5.829	50	40	IKGB	
COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1ccccc1Cl	58871149	KQTOHHIGMPEMNU-DHRITJCHSA-N	429.303	5.345	50	40	IKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	208468204	KIIRIJVMJWRGQN-KKMKTNMSSA-N	435.877	5.754	50	40	IKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)[nH]c2cc1C	408605568	MBYYGLGJRJODKT-XDHOZWIPSA-N	440.478	5.401	50	40	IKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc32)c1	408800864	PWBCSSTYPXVLQW-IKPDYWTKSA-N	425.576	5.908	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1	408804304	XGYPHEMXMLZLCM-WEKPXBEKSA-N	426.516	5.449	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OC(C)C	408806604	FTYYZCYMPCDFEB-RQZCQDPDSA-N	443.341	5.407	50	40	IKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)n1	408810242	JIPUFBLVRHLCIX-KGENOOAVSA-N	441.918	6.133	50	40	IKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408811113	QPTLEBRTIFTNJX-CPNJWEJPSA-N	447.878	5.681	50	40	IKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c1	408877608	WCZBAMQIKRQMHS-ZMOGYAJESA-N	428.963	6.710	50	40	IKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl	408879377	DATACRJFVHWZPJ-XDHOZWIPSA-N	447.878	5.681	50	40	IKGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C	409021668	SGCBOCCLCJJADN-ZRGSRPPYSA-N	449.894	5.264	50	40	IKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccccc1F	409074209	KZDGABJUNGIOHC-KGENOOAVSA-N	440.474	6.347	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1ccc(Cl)cc1	650985	XLZAAPSGZWXJTQ-OAQYLSRUSA-N	436.968	5.499	50	40	IKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1COc1ccc(Cl)cc1	1002720	ZTKDETAUYPTBFI-DEOSSOPVSA-N	448.950	5.659	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1	8893226	OTKIHHDDTNZOBF-XNTDXEJSSA-N	436.851	5.243	50	40	IKGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1c(Cl)cccc1Cl	9693564	YKEPBSYDUTVZIY-AWEZNQCLSA-N	434.323	5.352	50	40	IKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	12401098	ZISLUXQKUUUAAA-XMMPIXPASA-N	447.538	5.506	50	40	IKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)cc1	27345718	PSDVSSKEZQVCSE-HAVVHWLPSA-N	425.484	5.527	50	40	IKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(F)c2)c2ccccc12	59255337	NFYAUYIIYATCNT-CPNJWEJPSA-N	443.909	6.336	50	40	IKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)c1	223512848	HUIONGFVLOFXQM-MTJSOVHGSA-N	429.564	5.960	50	40	IKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccccc1Br	408549493	ULUYSDUSLWQSOT-HAHDFKILSA-N	427.345	7.074	50	40	IKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc2ccccc12	408568339	JAYXQTLTFSSYBK-BKUYFWCQSA-N	449.485	6.507	50	40	IKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccccc1	408746687	VKUYCRJBJJXYAZ-ULJHMMPZSA-N	427.507	6.388	50	40	IKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc(Br)c1	408786354	ICXGHKGNUPJPJG-ZROIWOOFSA-N	428.669	6.125	50	40	IKGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408819247	YRXLXOXNSVCQBN-KGENOOAVSA-N	446.934	6.252	50	40	IKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408868415	ONIXVQAFWZFPFD-CPNJWEJPSA-N	440.852	6.495	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Cl)ccc2ccccc12	408883369	UDFAZMOCMQOCFT-HAVVHWLPSA-N	436.942	6.938	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c1	409267231	MPXUOFFONUKRMC-PXLXIMEGSA-N	439.515	5.175	50	40	IKGB	
CNC(=O)Oc1c(Cl)cccc1SSc1cccc(Cl)c1OC(=O)NC	1671480	HVVHTJQJAGCULT-UHFFFAOYSA-N	433.338	5.229	50	40	IKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2772949	CECBLILFYCHPRW-AUEPDCJTSA-N	446.315	5.637	50	40	IKGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(Cl)cc1Cl	3083548	GPEVSLDBYPCGPA-DHRITJCHSA-N	429.303	5.102	50	40	IKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)c1ccccc1	9659940	IYEUJBVCXDERCB-XMHGGMMESA-N	432.273	5.458	50	40	IKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCC)c2)c1	18192465	FEGDCLCFMGSHMV-PXLXIMEGSA-N	442.515	5.609	50	40	IKGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	67197072	PIFUJPUAEUILJW-YUMHPJSZSA-N	430.891	5.796	50	40	IKGB	
N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	209656502	JDKYYTLDYPGZPB-WJDWOHSUSA-N	443.484	5.002	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c(C)c1	408544507	WPVXZQKABIKHRN-PDGQHHTCSA-N	439.471	5.143	50	40	IKGB	
N#C/C(=C\c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1	408581047	TTWZJBYLJQIWSA-CAPFRKAQSA-N	445.927	6.325	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408583851	XRHYQTCYRICDNJ-RGVLZGJSSA-N	449.890	5.699	50	40	IKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1	408726841	VKCYILUDKYTHMV-JWGURIENSA-N	442.515	5.609	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4ccccc34)c2C)cc1	408762654	KQORAEGPTXENLU-QRQIAZFYSA-N	425.532	5.339	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc2c(c1)OCO2	408783656	PQFZAIFDSURYIL-JAIQZWGSSA-N	443.503	5.156	50	40	IKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)o2)c(Br)c1	408793165	DGRWPKNTSVRJES-GXDHUFHOSA-N	441.712	6.217	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C)c(C)c1	408802814	HRXAOJIPLLRCMF-FYJGNVAPSA-N	446.934	6.090	50	40	IKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	408803308	NMYGMGHEPGEONM-CAPFRKAQSA-N	428.488	5.351	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccccc1C#N	408807382	COTMEHBGSAMEJT-WYDHCGSWSA-N	443.547	5.138	50	40	IKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CSc2ccc(OC)cc2)c1C	408962581	ZMVZMLMWENHNRT-YSMPRRRNSA-N	435.593	5.216	50	40	IKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)c1	409002997	XUEJTSGOAQEIGG-GZTJUZNOSA-N	434.879	5.549	50	40	IKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Cl)cc1	409047579	OPWSQXLZRAEMAQ-VCHYOVAHSA-N	434.326	6.821	50	40	IKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	409264289	OLDOOUIJLZGAOF-WPWMEQJKSA-N	445.519	5.164	50	40	IKGB	
CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1cc(N(CCCl)CCCl)ccc1-2	1580936	OTRYHSOPKBZAME-UHFFFAOYSA-N	432.178	5.807	50	40	IKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)cc1	2161500	LYECNUPLZSTPCY-STBIYBPSSA-N	435.527	6.320	50	40	IKGB	
COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1	2203208	AQJVIZFORNFFSS-QFIPXVFZSA-N	436.964	5.711	50	40	IKGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1C1CCCCC1	2303428	WAPBIYZPIWUDCL-ZMOGYAJESA-N	442.357	5.883	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1ccccc1F	8717324	XCHOAENZPKUOMJ-UYRXBGFRSA-N	430.504	6.477	50	40	IKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1	26771333	BZVPQBBPVXNPNV-XKZIYDEJSA-N	445.570	6.281	50	40	IKGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1	33339019	YIPPADCDZJWLNM-RGEXLXHISA-N	446.890	5.251	50	40	IKGB	
C[C@@](Br)(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104106158	KPBKIHUJGYSZEI-SANMLTNESA-N	447.356	5.981	50	40	IKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1	408549892	AZFLYNZLDVUHLW-IWIPYMOSSA-N	434.495	5.930	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)cc1Br	408591595	VAJBPJGTKUBHIN-WYMPLXKRSA-N	444.760	5.582	50	40	IKGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1	408706551	BINIIEVEFONRJP-MZJWZYIUSA-N	448.954	5.406	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1Cl	408735084	NRJWCOITSWNERY-XNTDXEJSSA-N	441.712	6.217	50	40	IKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408791350	WHXVJPHIPLMOTP-RIYZIHGNSA-N	449.721	5.603	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(C)c(C)c1	408797282	CELUOPAYXKWMLT-ZVHZXABRSA-N	440.543	6.054	50	40	IKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1	408797395	RPBXBKHUUXCURY-KGENOOAVSA-N	427.460	5.336	50	40	IKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408828770	NYULXQKSCRWQKJ-LTGZKZEYSA-N	444.918	6.029	50	40	IKGB	
N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1cccc(Cl)c1Cl	408860196	YQYXLVPPKODRFK-WTKPLQERSA-N	446.515	5.661	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1	408866454	GUBWHPYEPQAGIJ-HYARGMPZSA-N	430.935	6.336	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc(C)c(C)c2)c1	408867620	KVHKSKJZPYRGEY-FYJGNVAPSA-N	430.479	5.576	50	40	IKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1C(=O)O	408884887	YXHQEDJSNKHINK-LDADJPATSA-N	432.863	5.163	50	40	IKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C	408905631	ZZFJLNJFVYKABE-QFEZKATASA-N	430.464	5.075	50	40	IKGB	
Cc1cc(/C=N\NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccccc1Br	408998515	QWYPGOVKMJYHLL-FMCGGJTJSA-N	430.733	5.274	50	40	IKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409394115	VWSWMMJERWGQQV-AUWJEWJLSA-N	435.090	5.427	50	40	IKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C5CCCCC5)cc4)c32)cc1	987128	OXPQJHHIHCRPBF-JOCHJYFZSA-N	426.520	5.351	50	40	IKGB	
Cc1cc(N(CCCCl)CCCCl)ccc1/C=N/c1cc(Cl)c(O)c(Cl)c1	1872995	MEHCLWMCGUCITK-DHRITJCHSA-N	448.221	6.822	50	40	IKGB	
CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)[C@@H](Cl)c1ccccc1	20568263	FACLABHYUAMSDP-JYFHCDHNSA-N	438.398	7.141	50	40	IKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	59116787	NTPZEOCBVGRWLJ-GZTJUZNOSA-N	441.289	6.257	50	40	IKGB	
CCCCCCCCC/C(=N/NC(=O)c1ccccc1O)c1ccc(O)c2nc(C)ccc12	100967773	VFCJUGABEAZTJK-FAJYDZGRSA-N	447.579	6.229	50	40	IKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl	408567529	FMRVNMXHBYVFBM-XGICHPGQSA-N	434.254	5.015	50	40	IKGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Br	408754042	PFQIGXDRFWPZJY-GZTJUZNOSA-N	435.277	5.073	50	40	IKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)cc1	408807435	CWRUURMFUFVQDW-HZHRSRAPSA-N	440.499	5.215	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1cccc(F)c1	408873259	RRYVHTCQHHBCGN-OEAKJJBVSA-N	428.507	5.978	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C	409007430	OQOKSLUTMPHBEX-YBFXNURJSA-N	438.358	6.563	50	40	IKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=S)N1	409369082	AXWBYIHIGWWIMC-IBGZPJMESA-N	446.403	5.915	50	40	IKGB	
COc1cc(/C=N/c2ccc(-n3ccnc3C)cc2)ccc1N(CCCl)CCCl	1727752	OYTNNQRGTHATFY-WGOQTCKBSA-N	431.367	5.224	50	40	IKGB	
CC(/C=N/NC(=O)[C@@H](C)Nc1ccc(Br)cc1)=C\c1ccc(C(C)C)cc1	2080278	DKNLODQDTHDZMC-GFPZQIPESA-N	428.374	5.578	50	40	IKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)cc2)cc1	3661193	NBDKPQNYHYUEGG-WGOQTCKBSA-N	438.980	5.860	50	40	IKGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3s2)c2ccccn2c1C(=O)c1ccc(F)cc1	12621845	IPCFKHCLNYFOEO-NBVRZTHBSA-N	437.499	6.292	50	40	IKGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	20348663	RMPJDKYKYDCTHC-QFIPXVFZSA-N	449.963	5.141	50	40	IKGB	
CCOc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccccc1Cl	62715588	MRDGHFRJKADXFV-BQYQJAHWSA-N	430.125	5.859	50	40	IKGB	
Brc1ccccc1-c1nc2cc(C(Br)Br)ccc2o1	216827858	GTOMQDKRPFPCQW-UHFFFAOYSA-N	445.936	6.046	50	40	IKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccc(C#N)c1	408568457	UTNLLSVTPOISJW-UDWIEESQSA-N	428.322	6.932	50	40	IKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408569658	PFXPTTQOPYWBGB-STZFKDTASA-N	433.486	6.807	50	40	IKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1	408599547	WEFJUGPZNHHTPS-XDHOZWIPSA-N	447.947	6.461	50	40	IKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1	408798570	VUCZSFXWDNTYIX-HYARGMPZSA-N	426.472	5.126	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(C)c(C)c2)c1	408801903	WQWXFSBPMXTOSM-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1cccc(F)c1	408871462	YYYBPBAUFCNLLI-VXLYETTFSA-N	434.898	5.933	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1cc(C)cc(C)c1	408876726	QLQJWYMZUWDVJS-FSJBWODESA-N	444.962	6.410	50	40	IKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1	408937510	GSHGTMCIWJYUFJ-ROTLSHHCSA-N	438.915	5.218	50	40	IKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1nc2ccccc2o1	409044913	FFMSMILHGIKXAN-SFQUDFHCSA-N	429.863	5.563	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)Nc1ccccc1Cl	409057494	PHDOQIBTQSYFLY-PDGQHHTCSA-N	432.863	5.163	50	40	IKGB	
N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)CSc1ccc(Cl)cc1	409199164	BQXBXBVUYJFUQM-VULFUBBASA-N	435.936	5.033	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccc(Cl)cc1	409390279	DUZUZTVZGOPSEA-XKZIYDEJSA-N	433.910	6.859	50	40	IKGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br	2162481	LEQXVGRVLXHLBD-AFUMVMLFSA-N	447.288	5.124	50	40	IKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1	2753993	KMDKJKPEXVASNW-WPWMEQJKSA-N	435.955	5.529	50	40	IKGB	
CSc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)nn2-c2ccc(Cl)cc2)cc1	3305789	XQSRSFAIUYYHGZ-ZVHZXABRSA-N	436.924	5.272	50	40	IKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1	8780749	QCGRNECDTWJPKJ-AMDUWKQBSA-N	438.015	5.881	50	40	IKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	8780869	AMDBOMFFOQCXGL-NRJNEVGNSA-N	434.971	5.385	50	40	IKGB	
O=C(N/N=C/c1cccs1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1	9374532	HRKBVIQFQAYYDR-ZMOGYAJESA-N	436.924	5.135	50	40	IKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc(Cl)c1	9831810	WRYHPIPXOUYDCN-DEOSSOPVSA-N	448.906	5.241	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	12566937	MZMZEBFOARIOMT-XSFVSMFZSA-N	443.459	5.118	50	40	IKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1C	28216308	WMTNJKWRRGRTKE-RPPGKUMJSA-N	444.362	5.547	50	40	IKGB	
Cc1ccc([C@@H]2C(C#N)=C(NC(=O)Cc3ccccc3)Oc3c2ccc2ccccc32)cc1	199429790	CLNGFOPCJUBUJM-MHZLTWQESA-N	430.507	5.767	50	40	IKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1	408772117	BEWOTWWXOXBHID-NDENLUEZSA-N	439.353	5.188	50	40	IKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1cccc2ccccc12	408773584	RMSIOGIPZBBQQU-JAIQZWGSSA-N	434.923	5.512	50	40	IKGB	
CCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	408830527	YLUFETYADVHDJI-MKMNVTDBSA-N	439.726	5.277	50	40	IKGB	
COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1	408848026	OZUAZMOJDDITJY-QRQIAZFYSA-N	443.934	5.879	50	40	IKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1	408869866	SCUXBCKPDUKKQI-FYJGNVAPSA-N	435.354	6.692	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2cc(C)cc(C)c2)c1	408886866	MSWJGWCDRKTCAP-OEAKJJBVSA-N	426.516	5.745	50	40	IKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(C)c3C)c2C)c1	408966790	NMJJWCYUKDBLDD-YSMPRRRNSA-N	432.524	5.043	50	40	IKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1	409252109	SOQUGNNPYYFJKQ-BUVRLJJBSA-N	444.373	5.006	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc2ccccc2c1	409367998	LHCVXERKGQGOKU-BUVRLJJBSA-N	426.516	5.347	50	40	IKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)[nH]c2c1	409392195	NWMNXDOBLXBPQR-PDGQHHTCSA-N	438.918	6.292	50	40	IKGB	
Cc1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	1501708	TYFYBSLIHMRSKL-UHFFFAOYSA-N	433.309	5.125	50	40	IKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1Cl	1752939	WZQMWKFNTLYORF-JFLMPSFJSA-N	443.890	5.215	50	40	IKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1cc2ccccc2cc1O	2186692	GMYWWHGSATZFGL-ZMOGYAJESA-N	445.525	5.663	50	40	IKGB	
CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccccc2C)oc1NCc1ccccc1	2300505	AHRLPBBRKHDSLN-HKBQPEDESA-N	432.460	5.528	50	40	IKGB	
CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1	2886726	HDNIQDLGXVXTSH-SFQUDFHCSA-N	431.319	5.886	50	40	IKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1	26123754	CVKXEYSBIAFEBW-CVKSISIWSA-N	438.911	5.090	50	40	IKGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCC(C)CC2)cc1	27016078	UKVVUICWLMQPFB-XLNRJJMWSA-N	440.547	5.103	50	40	IKGB	
Cc1c(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	33666267	BUNNRDBBMKKFND-FYJGNVAPSA-N	442.349	7.241	50	40	IKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c1	252491656	LPPVSVHKWZYTHT-XNTDXEJSSA-N	430.813	6.473	50	40	IKGB	
COc1cc(N2N=C(C)/C(=C/Nc3ccc(SC#N)c(Cl)c3)C2=O)ccc1Cl	408535888	UKDXTAAWMXJOFR-ZROIWOOFSA-N	433.320	5.294	50	40	IKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1	408583194	SHRSQQNDSJXSTA-XDHOZWIPSA-N	438.296	6.240	50	40	IKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408599958	PQPPNCPWBZMPDP-WGOQTCKBSA-N	431.492	5.235	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)c(C)c1	408816919	UYPBZYOKZBLBON-BUVRLJJBSA-N	440.543	6.135	50	40	IKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Br)c1	408873657	UODXFGJAFQDKKV-UDWIEESQSA-N	449.323	6.033	50	40	IKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Cc2cc(C)cc(C)c2)c1	408875316	JIKOEKDWTIPLSL-HYARGMPZSA-N	430.935	6.102	50	40	IKGB	
Cc1c(/C=C(\C#N)c2cccc3ccccc23)c2ccccc2n1Cc1ccccc1Cl	409313245	IHKXUIOLXVCPKP-HAVVHWLPSA-N	432.954	7.869	50	40	IKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1	797899	ZNZVNLPUEOUBRH-XMHGGMMESA-N	425.463	5.383	50	40	IKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)ccc21	4082408	LHYWIEUNRSTBCD-TWKHWXDSSA-N	431.539	6.097	50	40	IKGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1c(C)cc(C)cc1C	16267195	WEZNWGUMDDCTDK-CIAFOILYSA-N	430.504	5.016	50	40	IKGB	
CC1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1	16790931	AGROQFIRAAISGD-HKWRFOASSA-N	430.939	5.358	50	40	IKGB	
C/C(=N/NC(=O)C1CCCCC1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	17097839	OYNPREZTXQHGMN-WGARJPEWSA-N	432.351	5.666	50	40	IKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1F	59266500	IMBBZBCSVTYFLS-PXLXIMEGSA-N	444.506	5.911	50	40	IKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl	59437003	HTVRFAWVAJFZRD-RWPZCVJISA-N	449.337	6.490	50	40	IKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	101403200	QLSLNIXVRXRLGY-DHDCSXOGSA-N	436.500	5.316	50	40	IKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408745035	JFNOWMLDFGFYQG-YBEGLDIGSA-N	444.749	6.600	50	40	IKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1Br	408772602	DJRDEOKENDKGJQ-LGMDPLHJSA-N	442.357	5.240	50	40	IKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NC1CCCCC1	408815020	RCZYEQJDECUEGW-LTGZKZEYSA-N	444.962	6.428	50	40	IKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4C)cc3)cs2)cc1	408838765	ICKPQACCZKXLJO-CVKSISIWSA-N	426.545	5.934	50	40	IKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12	408869416	DCRMKRSORLYBSL-HKOYGPOVSA-N	432.523	6.527	50	40	IKGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OC(C)C	409215848	FSNXSZNWSPGQFJ-LSHDLFTRSA-N	427.353	5.032	50	40	IKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1O	409325974	DWLQJYYILBUAKV-YBEGLDIGSA-N	441.268	5.613	50	40	IKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(F)c1	409389805	CIJKOJFXNVSKCJ-ZDLGFXPLSA-N	442.715	6.885	50	40	IKGB