smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccccc1[C@H](CBr)OC1CCCC1	50480417	ZFQARLKDSHSAAC-AWEZNQCLSA-N	283.209	4.390	50	20	CIGD	
C=CC[C@@H](C)C(C)=NNC(=O)Cc1cccc2ccccc12	727776978	JEWGESVHSUDTGF-CQSZACIVSA-N	294.398	4.087	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)OC2CCCCC2)c1	742575224	CPXGHZAJRGOLRQ-WJDWOHSUSA-N	283.371	4.086	50	20	CIGD	
CC/C(=C/C(=O)NNc1cccc(F)c1)c1ccc(C)cc1	748088887	GNEOJFKGHGTTTN-KAMYIIQDSA-N	298.361	4.071	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)C2CCCCCCC2)c1	748417078	JTVBSFYXAGFOPO-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CC(C)(C(=O)NNc1c(F)cccc1F)C1CCCCC1	767083689	DCTVCXVZQCKNAX-UHFFFAOYSA-N	296.361	4.014	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1	767735371	BUSOURUTAVMMDG-RVDMUPIBSA-N	285.412	4.465	50	20	CIGD	
Cc1cc2ccccc2nc1NNC(=O)C(C)(C)CC(C)C	777476957	VPWURENSAQMLCF-UHFFFAOYSA-N	299.418	4.059	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	777872464	VGINFHBJTXWNBX-RIYZIHGNSA-N	291.329	4.383	50	20	CIGD	
CCCN(N=C[C@H](C)c1ccccc1)C(=O)OC(C)(C)C	794995325	GWLUAHVWVRCDPX-AWEZNQCLSA-N	290.407	4.423	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc(Cl)cc1	915879959	QTDFWYGVRDNJAN-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccccc2F)c1	918712901	CWORDSOMTUNHKD-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C)cc(C)c2)c1	921260824	DTVUCHZZZABGJT-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1c1cccs1	1350815415	QIQOCNLWVHDQQF-BPCQOVAHSA-N	297.851	4.209	50	20	CIGD	
CC[C@H](NC[C@@H](C)CBr)c1ccc(C)cc1	381446104	FVPZTTQINCNABS-JSGCOSHPSA-N	284.241	4.067	50	20	CIGD	
CCCCCCC(=O)NNc1ccc(C(F)(F)F)cc1	747589003	WYTPOATWBNLBNL-UHFFFAOYSA-N	288.313	4.119	50	20	CIGD	
N#C/C(=C/c1ccc(O)c(F)c1)c1ccc2ccccc2n1	755588664	TWRQJEMHKLDACL-ZROIWOOFSA-N	290.297	4.144	50	20	CIGD	
N#Cc1ccc(C(=O)/C=C\c2cccc(CCl)c2)s1	799891846	IHQUDZFXSOHISV-XQRVVYSFSA-N	287.771	4.255	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](CC(F)(F)F)C1	817280828	DOPRBNIGXYCKKA-LIOBOASVSA-N	294.320	4.215	50	20	CIGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)OC(C)(C)C	916266672	POXFNXCOYKTMPX-GLWOHCGISA-N	266.385	4.190	50	20	CIGD	
Clc1cccc(OCCCCCBr)c1	34320617	XXTJRYDQKLYJEB-UHFFFAOYSA-N	277.589	4.284	50	20	CIGD	
Cc1noc(C)c1/C=C(/C#N)c1nc2cc(F)ccc2s1	730148911	PGFYDGAYXISSIW-YHYXMXQVSA-N	299.330	4.104	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(F)ccc3F)[nH]c12	735619747	QSFHZNRBVJBGGW-KPKJPENVSA-N	295.292	4.214	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(CC)s1	741472956	DCXMCTLPJSXDJM-UTEVDWOZSA-N	261.390	4.223	50	20	CIGD	
CC(C)(C)C[C@H](NC=C(C#N)C#N)c1ccc(Cl)cc1	741645831	DBXSOTBSXUYJIM-HNNXBMFYSA-N	287.794	4.338	50	20	CIGD	
O=C(C=C1CCCCC1)NNc1cccc(C(F)(F)F)c1	762797646	WSWAIMNPNDHMNR-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1	790599824	FDZQDMKITFUNHH-LCFDYFRESA-N	290.432	4.353	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)c1cccc(C)c1	799756915	OHSJNODVTNIYKR-HNNXBMFYSA-N	296.414	4.113	50	20	CIGD	
CC(=NNC(=O)c1cc2ccccc2o1)[C@H]1CCCC[C@@H]1C	834964014	IOAQAJATIKJEJK-WFASDCNBSA-N	298.386	4.365	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccccc1OC(C)C	263633652	KRBQTVQNHFUOLJ-GDNBJRDFSA-N	295.338	4.165	50	20	CIGD	
N#C/C(=C/c1ccnc(Cl)c1Cl)C(=O)C1CCCC1	834434623	OYPAQCBGZUTKRJ-XFFZJAGNSA-N	295.169	4.055	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)c2nc(C)cs2)c(C)c1	849176633	RVAAAEGKKYGXJN-ZSOIEALJSA-N	284.384	4.223	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)c1cccc(C(F)F)c1	171421262	PRFXHPPDSHPBFS-UHFFFAOYSA-N	296.704	4.035	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)n1	171752510	HVIGSGHMGWAWRP-VGOFMYFVSA-N	296.395	4.229	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	726428955	QQDHMFARNJKNNU-WIZMWCRPSA-N	296.414	4.199	50	20	CIGD	
CCC(C)(C)CC(=O)NNc1cc(Cl)ccc1Cl	752813514	ZROZTJTXSYPERQ-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756783126	JFMLGRXDRQNOOE-JYVXZMADSA-N	293.313	4.119	50	20	CIGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1cc2ccccc2o1	764695794	CDXRPLUBFTZSCT-CQSZACIVSA-N	298.386	4.365	50	20	CIGD	
CCc1cccc2c(/C=C(/C#N)C(=O)C3CCCC3)c[nH]c12	781552626	BGKRRIMMUJNDTO-GDNBJRDFSA-N	292.382	4.397	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1Cc2ccccc2C1	788014866	CMNBQEKWVZRCOD-UHFFFAOYSA-N	277.484	4.024	50	20	CIGD	
C[C@@H](c1cccnc1)N(C)CCO[Si](C)(C)C(C)(C)C	788021455	PJTFEQARSFNHRM-AWEZNQCLSA-N	294.515	4.096	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2occc2c1	794689928	DQXGZJDAVRFDTP-XNTDXEJSSA-N	267.328	4.345	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(C3=CCCC3)cc2)c1	810044081	MCXBSLRIWTTWPG-UHFFFAOYSA-N	292.382	4.319	50	20	CIGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2)c1C	915857497	SPGVBSDIMOULRX-ATVHPVEESA-N	290.366	4.081	50	20	CIGD	
CCOc1ccc2ccccc2c1CBr	35630963	RGRCAFPSNXDFBZ-UHFFFAOYSA-N	265.150	4.133	50	20	CIGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cccc(C)c1	734092328	KRWPIFLHPQDOHC-OAHLLOKOSA-N	274.408	4.045	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	767714517	QPLDHQHVWDKFRW-JYVXZMADSA-N	288.416	4.323	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(SC)s1	840717430	UZZKDUMQAKHIHZ-NGPGYTDTSA-N	279.430	4.382	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c(F)c2)c1	918713327	IJVGYRVHCISXEQ-NVNXTCNLSA-N	297.304	4.372	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C)ccc2C)c1	8491586	XWAJFHWEAVQBFS-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
C[C@H](Cl)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1	35055811	OFGSHSFLLNKCTF-QMMMGPOBSA-N	296.823	4.332	50	20	CIGD	
CC[C@H](C)O[C@H](CBr)c1cccc(F)c1	50480073	OSUBHMHHPYDFBX-JOYOIKCWSA-N	275.161	4.077	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	179178385	CNBKTCQXZXHILG-WDZFZDKYSA-N	265.715	4.001	50	20	CIGD	
N#C/C=C\COc1cc(C(F)(F)F)cc(C(F)(F)F)c1	763298447	CFHWTMXIMOUSRH-UPHRSURJSA-N	295.182	4.183	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	771838394	PHOKYTVIVKLPAH-CAXXOGMASA-N	299.267	4.367	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	774560042	VDJLAIRKJYUWGP-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	794875195	QXXAEEBSNZCUOO-GDNBJRDFSA-N	297.398	4.312	50	20	CIGD	
CCCCCCCC(=NNC(=O)N(C)C)c1ccccc1	745612826	ALBUTCQKJIHTDG-UHFFFAOYSA-N	289.423	4.022	50	20	CIGD	
O=C(CCCC1CCCCC1)NNc1ccccc1F	748059036	DPZFQDMQLVKHQY-UHFFFAOYSA-N	278.371	4.019	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)C1CCCC1	781554788	WAFIGPYPHKRYQA-KPKJPENVSA-N	277.726	4.145	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1ccc(F)cc1	790100988	VHQQLVKLQHFNGK-XFFZJAGNSA-N	291.734	4.330	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1C	7211056	LJUKIYZISFIFFM-FOWTUZBSSA-N	291.350	4.184	50	20	CIGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)c1ccccc1	72535317	DUJRQNHQEQLHPH-UVTDQMKNSA-N	299.276	4.078	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc(F)c(F)c2)sc1C	125438453	NUQBCWHFBPEUJF-WZUFQYTHSA-N	276.311	4.102	50	20	CIGD	
Br[C@H]1CCCCC[C@H]1OCC1CCCC1	203590488	DPCMIAIWBVHLMP-QWHCGFSZSA-N	275.230	4.289	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2c(F)cccc2F)c1C	727654483	GESAESIKOOSTEC-UKTHLTGXSA-N	297.304	4.372	50	20	CIGD	
C[C@H](C=NN(C)C(=O)OC(C)(C)C)CC1CCCCC1	758113268	ONDMGLCTQGHWNW-ZDUSSCGKSA-N	282.428	4.446	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cscc1Cl	771837920	LQFIWVWYBCDJEW-WTKPLQERSA-N	277.732	4.093	50	20	CIGD	
CCCN(N=C1CCC[C@H](C)[C@@H]1C)C(=O)OC(C)(C)C	794997345	XXXPDXALYCIMOT-STQMWFEESA-N	282.428	4.446	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Cl)s1	14179427	SYXQYQDWSLFKRG-RMKNXTFCSA-N	277.732	4.093	50	20	CIGD	
Cc1ccc([C@@H](CBr)OCCC(C)C)cc1	50481046	ZEOBJFRFNSKDQN-CQSZACIVSA-N	285.225	4.494	50	20	CIGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)C(CC)CC)cc1	255207875	DGSJSVMYRWOXRV-GHRIWEEISA-N	295.382	4.001	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc(CCl)c2)n1	799890329	IATNMJXUFNQXQU-MLPAPPSSSA-N	274.776	4.255	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(F)c2)cc1C	809146250	NPXIPOUQUIATDP-OVCLIPMQSA-N	297.304	4.372	50	20	CIGD	
CC(C)CCO[C@H](CBr)c1ccc(F)cc1	50481051	SBJOGYXSTYHPTG-CYBMUJFWSA-N	289.188	4.324	50	20	CIGD	
CC(C)(CCl)Cc1cc(Br)cs1	85042785	ACDUVRRSMOMCJT-UHFFFAOYSA-N	267.619	4.318	50	20	CIGD	
CC(C)(C)c1ccc(/C=C(/C#N)c2ccccn2)cc1	211370393	OPEVSLMIHVUJRY-QINSGFPZSA-N	262.356	4.443	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(C)nc2)cc1	764885936	GIUYTEIHIBMNMP-WQRHYEAKSA-N	290.366	4.132	50	20	CIGD	
CCCCC[C@H](CC)C(=O)NNc1cccc2cnccc12	775781469	DGFXFYJAAWZZJY-AWEZNQCLSA-N	299.418	4.284	50	20	CIGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)c1ccsc1	776720180	ITFZMQCOCZAHKP-JYOAFUTRSA-N	291.734	4.330	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2c(Cl)cccc2Cl)C1	783840161	WAUYWQZQHUCWRJ-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(C2CCC2)cc1	786230609	QNQVNZWXDVMJEE-UHFFFAOYSA-N	299.349	4.242	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(F)cccc1Cl	794877722	LRBGDQMLOWJXRX-CSKARUKUSA-N	279.742	4.391	50	20	CIGD	
Cc1sccc1/C=C(/C#N)c1nc(C2CC2)cs1	843263612	CKKWANDWEKMJNE-SDQBBNPISA-N	272.398	4.455	50	20	CIGD	
COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1C	201736447	XAFIGNJFTZSXSS-UHFFFAOYSA-N	280.440	4.166	50	20	CIGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)c1ccccn1	213172853	BBORHVVGNWZAIL-XFXZXTDPSA-N	290.244	4.044	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@H](c2ccccc2)C1	750793660	AMMDGBMFKKCUQG-OXNWSPOFSA-N	292.357	4.180	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)cccc2C)cc1	755571164	WUULMKFRNXCEDX-WJDWOHSUSA-N	290.366	4.158	50	20	CIGD	
C[C@H](CBr)CN1CCCC[C@H]1c1ccccc1	770669575	ZQKQADQEHGOMJK-HIFRSBDPSA-N	296.252	4.245	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1CCc2sccc2C1	788009453	CVYREDGNTWODBT-UHFFFAOYSA-N	297.540	4.128	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1ccsc1	794874373	GMJHWLWXXVJSEJ-NTUHNPAUSA-N	289.306	4.476	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccc2ccccc2n1	807941135	RSAYOVPVHXFHCI-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	434579	DSNXBOOYCFLBBY-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2cccc(F)c2)ccc1[N+](=O)[O-]	180572016	ULRHFMDOGQVWTP-ZSOIEALJSA-N	282.274	4.107	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)c1cnc2ccccc2n1	588580936	VQVQYOLPQQGNEX-LCYFTJDESA-N	297.317	4.440	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(C)c(Cl)c2)n1	588595771	IPGLRXDSUWSMJW-LFYBBSHMSA-N	274.776	4.478	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)[C@H](c2ccccc2)C(C)C)c1	748362529	NIEHUEHZAWMDBF-SFHVURJKSA-N	296.414	4.186	50	20	CIGD	
N#C/C(=C/c1sc2ccccc2c1Cl)c1ccncn1	758909093	BHXUDCVXFMULOS-YFHOEESVSA-N	297.770	4.409	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	767728358	GANBYKQDHLQJNU-BZPKPHBRSA-N	279.742	4.391	50	20	CIGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1cc(Cl)ccc1Cl	780599333	BGKZTAPSOITHGO-BDAKNGLRSA-N	289.206	4.119	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C2(C)CCCCC2)c(C)c1	780951890	LRDKHTPYYDMEFD-UHFFFAOYSA-N	274.408	4.025	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1	794886074	YWEMOLJZJZSGAI-WOJGMQOQSA-N	298.345	4.333	50	20	CIGD	
COc1cc(C)ccc1/C=C(/C#N)C(=O)C1CCCCC1	834430370	MNRJFHUTJWDQTL-WJDWOHSUSA-N	283.371	4.060	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1ccccc1Cl	1115850084	CYAHNSRDWVCHOW-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1sccc1Cl	1116815202	CPYDIVOUPVZMDN-DHZHZOJOSA-N	287.771	4.500	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)cc2)n1	169972682	SYGXFWYYELRKBN-WDZFZDKYSA-N	260.749	4.169	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)s1	181152775	WRLPCNTWQPYZPZ-UHFFFAOYSA-N	288.416	4.111	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	263921644	UVVCZOUJAPBFTM-ZFZMKPAXSA-N	299.342	4.258	50	20	CIGD	
CCCC[C@@H](CC)C(=O)NNc1ccc(Cl)c(F)c1	748876512	JTCXVIAAUMEUQZ-SNVBAGLBSA-N	286.778	4.139	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	749892230	UBVAQHNVSCMORP-XNTDXEJSSA-N	294.354	4.254	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)ccc1C	777918958	ODIOYVOPYAWBNL-QENILXLESA-N	259.324	4.046	50	20	CIGD	
C=CCC1(C(=O)NNc2c(Cl)cccc2Cl)CCC1	790778592	BTAOILDMEGEETC-UHFFFAOYSA-N	299.201	4.183	50	20	CIGD	
ClCCCOc1ccc(CNC23CCC(CC2)C3)cc1	811489188	YTTSKAVTVKNKCU-UHFFFAOYSA-N	293.838	4.117	50	20	CIGD	
Cc1ccc(F)cc1NNC(=O)c1sccc1C(C)C	855366827	ILRPCRXHMRWLFW-UHFFFAOYSA-N	292.379	4.076	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1	917143734	QDIVWSTUMQWJDT-SFQUDFHCSA-N	291.350	4.265	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	7164338	DZBPAZLOYDUALK-NTEUORMPSA-N	296.395	4.219	50	20	CIGD	
CC(C)[C@H](C)O[C@H]1CCCCC[C@H]1Br	251326965	NGNYJXVYLFTDAA-TUAOUCFPSA-N	263.219	4.144	50	20	CIGD	
FC(F)(F)C[C@@H](CBr)Cc1cccs1	409428075	YSNMEMQJVMLOJE-ZETCQYMHSA-N	287.144	4.254	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)CC(C)(C)C)c1C	728286824	ISJKVHKHWVBTIR-OQLLNIDSSA-N	272.392	4.037	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@H]1Cc1ccccc1	752313521	GEMSPDCODMNTHT-JHBOHYQCSA-N	292.357	4.007	50	20	CIGD	
CC(C)CCC(=O)NNc1c(Cl)cc(F)cc1Cl	767403300	ZLLUQOOJKLGIBJ-UHFFFAOYSA-N	293.169	4.012	50	20	CIGD	
C[C@H](CBr)CNC(C)(C)CCc1ccccc1	770648120	ASMRYUDJGCODAB-CYBMUJFWSA-N	298.268	4.018	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)c1cnc2ccccc2n1	790227189	GHSLQEFBGVMWQM-XFFZJAGNSA-N	297.770	4.409	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)s1	809145551	ADBGVOFGTXGWHR-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccccc2F)c1	921266052	VHTMOBMFJHNHRG-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2C)ccc1F	1251640926	MIBYSPSHCQKNCS-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
CC(C)CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	15434643	PLONCQPYNWUBPC-UHFFFAOYSA-N	295.597	4.136	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1	48833199	OCNVLDWPRPKEJU-GDNBJRDFSA-N	255.361	4.161	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	255731217	XYZLLCOBBDRKAV-WDZFZDKYSA-N	289.693	4.170	50	20	CIGD	
CC[C@@H](CBr)CCCOCc1ccccc1	307095310	OTHQWFWVBPHSQL-CYBMUJFWSA-N	285.225	4.405	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccccc2F)c1	734980937	KRVGQWNXONTCMQ-LCYFTJDESA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CC(C)(C)c2ccccc2)c1	748417429	WJECDPDYMKCIBY-UHFFFAOYSA-N	296.414	4.114	50	20	CIGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)C1CCCC1	781555322	GBCGTQHBPZONFE-MDWZMJQESA-N	293.288	4.372	50	20	CIGD	
CCCN(N=C(C)c1cccs1)C(=O)OC(C)(C)C	794998786	VRASFEALRPXDQY-UHFFFAOYSA-N	282.409	4.119	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	212675743	GNADYPSTRUYIJX-KAMYIIQDSA-N	295.313	4.014	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	255120459	SHKKGNHKUZTRGS-BVBCSLMJSA-N	281.277	4.016	50	20	CIGD	
Cc1cc(C)cc(-c2ccc(C=C(C#N)C#N)cc2)c1	741463982	JVSRDTWBNZWSER-UHFFFAOYSA-N	258.324	4.401	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccco2)s1	797399781	WDZBNBMBGRBHFF-JXMROGBWSA-N	258.346	4.098	50	20	CIGD	
O=C1/C(=C\c2cccc(CCl)c2)CCOc2ccccc21	799894004	YHQMKJSGQVABHT-PTNGSMBKSA-N	298.769	4.474	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(F)c1	812768369	PXHBVZOTOBJQSS-UHFFFAOYSA-N	286.350	4.014	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)C(C)(C)C	812769656	RMTJZOHZOMTBNV-ZDUSSCGKSA-N	276.424	4.244	50	20	CIGD	
Cc1cccc(NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1	824221196	KZMVXRNBSPXSEF-MSOLQXFVSA-N	294.398	4.022	50	20	CIGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)C(C)(C)F	834447751	QLVOGRNMVQRTHV-LUAWRHEFSA-N	285.318	4.219	50	20	CIGD	
O=C(CCCC1CCCCC1)NNc1ccc(F)cc1F	876960798	AFRIRMONZMTYAW-UHFFFAOYSA-N	296.361	4.159	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1C	915980926	CWYMMGZYGNIHMT-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1	48639789	IRFOHMSCAFGXFT-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
C[C@@H](CBr)Cc1ccccc1Br	84192541	BOMDRVCRHFHCQQ-MRVPVSSYSA-N	292.014	4.023	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc(O)c(Cl)c2)sc1C	125432675	CUUUJJRLMVOWMH-WZUFQYTHSA-N	290.775	4.183	50	20	CIGD	
CC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1	196068110	WVYZTMYTEYCCCT-UHFFFAOYSA-N	264.441	4.411	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1ccc2ccccc2c1	212023599	YMXXGFDAGSOLRR-ATVHPVEESA-N	279.339	4.090	50	20	CIGD	
Br[C@@H]1CCC[C@@H]1OCC1CCCCCC1	300922024	UMVMJDXQMLOMNO-OLZOCXBDSA-N	275.230	4.289	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1[C@H]2CCC[C@H]1CC2	364141154	APMTZVLIARGCBY-MELADBBJSA-N	299.505	4.244	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1cccc(F)c1	785351209	MMAPHVVJNDXLHV-BVTUPMQUSA-N	295.313	4.037	50	20	CIGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2cccc(Cl)c2)C1	794474983	XYUJLSUZWHOEAQ-LBPRGKRZSA-N	292.810	4.272	50	20	CIGD	
C=CCN(Cc1ccc(OCCCCl)cc1)C(C)C	811456374	MMTGJKBMSOPBPU-UHFFFAOYSA-N	281.827	4.091	50	20	CIGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1	726119790	DMCIVENODKJIHM-VBKFSLOCSA-N	285.387	4.388	50	20	CIGD	
C/C(=C\C(=O)NNc1cccc2c1CCCC2)C(C)(C)C	748574177	WYGZFUJLJJLTEE-OUKQBFOZSA-N	286.419	4.001	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1ccc(F)cc1	799890965	GICWBFUWFCRSTP-DHDCSXOGSA-N	299.732	4.354	50	20	CIGD	
CC[C@H](C)N(CC)C(=O)CCCC[C@H]1CCSS1	855149020	RLBLVPBGKOOTGS-STQMWFEESA-N	289.510	4.348	50	20	CIGD	
C=CCC[C@H](NC[C@]1(C)C[C@H]1Br)c1ccco1	857081800	IOUCMGGJTAOCLZ-YUTCNCBUSA-N	298.224	4.050	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1scnc1C1CC1	1339300514	KAGMRAJMNDZKMG-MDWZMJQESA-N	294.379	4.119	50	20	CIGD	
CC(C)CO[C@@H]1CCCCCC[C@H]1Br	158187925	MPLHZPZFVNRANM-VXGBXAGGSA-N	263.219	4.145	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2cc(OC)ccc2o1	160220946	RABSBHOOEJYSPV-GXDHUFHOSA-N	297.354	4.354	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)c1ccsc1	178001534	MJCNVWUSJIVQEK-IZZDOVSWSA-N	291.734	4.330	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	734980314	IBECTNPBIVOMOB-UKTHLTGXSA-N	277.302	4.075	50	20	CIGD	
N#C/C(=C/c1nccc2ccccc12)c1nc2ccccc2[nH]1	740764266	PYYOSDDRGGAVHZ-KAMYIIQDSA-N	296.333	4.175	50	20	CIGD	
C[C@H](CBr)CN[C@H](C)c1ccc(Cl)cc1	186378870	QKIMHUYDUAEOCG-NXEZZACHSA-N	290.632	4.022	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(F)cc2F)c1C	727655120	NPRFHHPZNQMOGH-ZSOIEALJSA-N	297.304	4.372	50	20	CIGD	
CC(C)C[C@@H](NC(=O)NNc1ccccc1)c1ccccc1	734262692	ACNRZYKFSWUFNI-QGZVFWFLSA-N	297.402	4.100	50	20	CIGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1c(F)cccc1F	735697727	CFEDJCAEXWFALC-LBPRGKRZSA-N	296.361	4.014	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	755407411	VQNZLIVNSDPTJJ-ISAHRAOESA-N	299.267	4.367	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)C(C)C	788731962	HCNVAQUJMDPQSV-XYOKQWHBSA-N	261.752	4.034	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	915841848	VNRKFPXOCFQUEF-RMKNXTFCSA-N	299.342	4.258	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	7211058	MUGHZCPWQLSRAF-FOWTUZBSSA-N	291.350	4.184	50	20	CIGD	
ClCc1cc(-c2cccs2)nn1C1CCCC1	409443286	KLJXJTWLPYNPBH-UHFFFAOYSA-N	266.797	4.466	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)ccc1C	777918959	ODIOYVOPYAWBNL-UGMNDJHYSA-N	259.324	4.046	50	20	CIGD	
CCOc1c(Cl)cccc1/C=C(/C#N)c1ccccn1	779220887	KIUSIQRCUWWOOK-RAXLEYEMSA-N	284.746	4.198	50	20	CIGD	
C/C(=C/c1ccc(OCCCCl)cc1)c1ncccn1	905077624	ZJMNRZSKOLYBFL-SEYXRHQNSA-N	288.778	4.045	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	178350919	LYKGUNAQFFTNHD-WOJGMQOQSA-N	290.366	4.271	50	20	CIGD	
O=C(CCC1CC1)NN(c1ccccc1)c1ccccc1	734312571	IKUSNIOMTVXDMI-UHFFFAOYSA-N	280.371	4.046	50	20	CIGD	
C[C@@H](C(=O)NNc1cc(Cl)cc(Cl)c1)C(C)(C)C	791727606	YTZHSZJMYVOOAR-QMMMGPOBSA-N	289.206	4.119	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	33612065	DPTYNFCZUNRZHC-MDWZMJQESA-N	282.368	4.093	50	20	CIGD	
CN(C(=O)CCCC[C@@H]1CCSS1)C1CCCC1	42004968	HEEHKXPXPMXDCN-CYBMUJFWSA-N	287.494	4.102	50	20	CIGD	
CCN(Cc1cccs1)/C(=C/C#N)c1ccccc1	179178400	PGRJJDCTPFNNCS-MHWRWJLKSA-N	268.385	4.135	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H]1C1CC1	370761689	XHOUDEUDOUTNNE-ZIAGYGMSSA-N	299.505	4.102	50	20	CIGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)OC(C)(C)C	727250134	JNODLYXPPQFGKX-GFCCVEGCSA-N	268.401	4.103	50	20	CIGD	
O=C(CCCC1CCCCC1)NNc1cccc(F)c1	748101310	WTIBMOKNLPKHMB-UHFFFAOYSA-N	278.371	4.019	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	777872468	VGINFHBJTXWNBX-ZSOIEALJSA-N	291.329	4.383	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2cc1OC	834421337	QAIPOTZKVXXGSO-OMJMQIJPSA-N	293.366	4.371	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)cc(C)c1	726119398	YGPIJTNLCDZBHV-YBEGLDIGSA-N	255.361	4.216	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1	727973874	BCLOLSYLSKGSMF-CEXMDJMXSA-N	297.276	4.107	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)s1	731159778	VSYJZZRYHHMPPZ-DHZHZOJOSA-N	261.390	4.223	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(F)cc1Cl	767713731	MGHXJYZBYZOKIK-IZZDOVSWSA-N	279.742	4.391	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	794872878	AGAQTKSOCFUXPN-SBNHVRHQSA-N	271.360	4.315	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1cc2ccccc2o1	799758887	CCONIHWUQUWHLH-UHFFFAOYSA-N	294.354	4.061	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1cccc(Cl)c1	814732154	ABKZBPUASBAJST-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
O=C(CCl)Nc1ccc(-c2cc3ccccc3o2)cc1	1319784380	BTBBOCVJHKOUFA-UHFFFAOYSA-N	285.730	4.277	50	20	CIGD	
Cc1cccc([C@H](CBr)OC(C)(C)C)c1	50479993	JYKFUEAEGHCYES-LBPRGKRZSA-N	271.198	4.246	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2)s1	105571016	CBZRDWDHZAGJKL-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H]1C1CC1	370761686	XHOUDEUDOUTNNE-KBPBESRZSA-N	299.505	4.102	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	755407501	WOACSHBRUFTVBN-VKRGWIQLSA-N	265.715	4.001	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(F)c(C#N)c2)n1	770571217	CPNKKHXQFNKCML-MLPAPPSSSA-N	297.358	4.341	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2)ccc1Cl	779706423	CWMBJSSBRJAVOM-GDNBJRDFSA-N	281.742	4.438	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	834448197	XSVMQWOTYBDRNR-XFFZJAGNSA-N	292.379	4.025	50	20	CIGD	
CCC(=NNC(=O)c1cc2ccccc2o1)C1CCCC1	834964266	KCNVBBNOZLAGMW-UHFFFAOYSA-N	284.359	4.119	50	20	CIGD	
N#C/C(=C/C=C/c1ccccc1)c1nc2ccccc2[nH]1	70914	MPJYLKYBQGTGAZ-ZLRVCTSNSA-N	271.323	4.183	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1	171390049	SEKYFXGOOSXCOI-LFIBNONCSA-N	291.350	4.102	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)o1	177635571	MQFHNXRVHSEVIK-FMIVXFBMSA-N	290.322	4.113	50	20	CIGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cccs1	254483131	SYVWVMKNSUTQAU-UHFFFAOYSA-N	294.379	4.055	50	20	CIGD	
CN(Cc1ccc(Cl)s1)/C(=C\C#N)c1ccccc1	750600105	RTDPOEOGBVKWQU-ZROIWOOFSA-N	288.803	4.398	50	20	CIGD	
Cc1cccc([C@H](C)OC(=O)/C(C#N)=C/c2ccccc2)c1	785361888	KJHXJMIVLZYEGB-BRFSQIRFSA-N	291.350	4.206	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1c(C)cc(C)cc1C	799755420	YNFMBAOKLULPCA-UHFFFAOYSA-N	296.414	4.240	50	20	CIGD	
CC1(C)CCC(O[C@@H]2CCC[C@H]2Br)CC1	163239596	WVYWGMRNZWVQKZ-VXGBXAGGSA-N	275.230	4.288	50	20	CIGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3ccccn3)co2)cc1	176853247	OBTYRSYJTGDFGL-XNTDXEJSSA-N	287.322	4.109	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1cccc(F)c1	588600968	XQZPJGRBTNTRHW-JXMROGBWSA-N	291.734	4.330	50	20	CIGD	
CCCCC[C@H](C)CC(=O)NNc1cccc2cnccc12	748773750	ZSNOUGOISKTZJA-AWEZNQCLSA-N	299.418	4.284	50	20	CIGD	
Cc1ccc(CN(C)/C(=C\C#N)c2ccc(F)cc2)cc1	750791662	SLHDBGCLVGUCIG-WQRHYEAKSA-N	280.346	4.131	50	20	CIGD	
C=CCCC(CC)=NNC(=O)c1ccc(C(C)(C)C)cc1	750924255	YKNJVFMCZJFULK-UHFFFAOYSA-N	286.419	4.446	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)C(=O)C2CCCCC2)c1	767712263	COXIJUNRTBFXGK-LFIBNONCSA-N	283.371	4.142	50	20	CIGD	
O=C(CCCC1CC1)NNc1cc(Cl)cc(Cl)c1	812559809	WLRJEVSGDYCKPF-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
Cc1ccc(F)cc1NNC(=O)c1cccc(C2CCC2)c1	855370218	RKHRKLSCSCSNLG-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
CCCCCC[C@H](C)CC(=O)NNc1cccc(C)c1	731784079	DLPOHVZEWRGRQL-HNNXBMFYSA-N	276.424	4.435	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1nccc2ccccc12	741474421	OSZSFZZRWJMEQK-WDGDVPDHSA-N	278.355	4.147	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)o1	767714078	OFXJBMGOKIOUED-VSXNHXORSA-N	283.371	4.459	50	20	CIGD	
CCc1ccc(NC(=O)NNc2cc(C)cc(C)c2)cc1	775373002	BXSFOFAYQZIMQO-UHFFFAOYSA-N	283.375	4.014	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccc2ccccc2n1	807941132	RSAYOVPVHXFHCI-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
O=C(NNc1ccc(F)cc1)c1ccc(C2CCCC2)cc1	810021279	CBVFPVONLRRHHX-UHFFFAOYSA-N	298.361	4.240	50	20	CIGD	
CC(C)=NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	912800340	NLIKZNDXSRSFQQ-GFCCVEGCSA-N	292.448	4.025	50	20	CIGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1ccsc1	915989309	CXNBXLHVSVAASF-DHDCSXOGSA-N	290.347	4.086	50	20	CIGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccccc1Cl	1115961429	RMAXEHFAZYBIKJ-GFCCVEGCSA-N	292.810	4.416	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	726427995	CIPJZHHKDHTVPU-ATTDUZETSA-N	255.361	4.332	50	20	CIGD	
CC(=NNC(=O)c1cc2ccccc2o1)C1CCCCC1	749823769	QSJHOXDRKHGNBL-UHFFFAOYSA-N	284.359	4.119	50	20	CIGD	
CCC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCC1	791732330	JQNJFQWFEGXBBC-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNc2ccccc2)c1	802823624	XPKHVTBRGBYSAE-HNNXBMFYSA-N	296.414	4.132	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)C[C@H](C)O3)sc1C	899361031	RUIVIJIZZYYBKL-CYANDVJASA-N	296.395	4.148	50	20	CIGD	
Cc1cccc(NNC(=O)c2cc(Cl)cc(Cl)c2)c1	72514514	FTIVVNHHDBZNCA-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
N#C/C(=C\c1csc(-c2cccs2)n1)c1ccccn1	209742732	SSVWHGUWPLTYIB-DHZHZOJOSA-N	295.392	4.331	50	20	CIGD	
COC(=O)/C(C#N)=C/c1ccc(-c2cc(C)cc(C)c2)cc1	741464633	QHTAGKQJQGKGOA-WOJGMQOQSA-N	291.350	4.050	50	20	CIGD	
CCC[C@H](C(=O)NNc1nc2ccccc2cc1C)C(C)C	777477813	XFALGFWBFOBDJW-HNNXBMFYSA-N	299.418	4.059	50	20	CIGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)C(C)(C)C	787168056	IAUAULBGSHWFRT-WNEGCBGQSA-N	298.342	4.063	50	20	CIGD	
CC(C)(C)CCC(=O)NNc1cc(Cl)cc(Cl)c1	791720734	RVMMPMCKSKTHEJ-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
CCCN(N=C(C)C1CCCC1)C(=O)OC(C)(C)C	794997303	WWCMLJCTOBDMGT-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
C=CC[C@@H](CC)NC(=O)CCCC[C@@H]1CCSS1	799035078	RZOADLQOUYGUJW-CHWSQXEVSA-N	287.494	4.171	50	20	CIGD	
CC(C)O[C@@H](CBr)c1cccc(Cl)c1	50479930	PPBZFTYKGLNHJJ-NSHDSACASA-N	277.589	4.201	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C(CC)CC)cc1	726118727	PQNBUVOPPMQAAL-VBKFSLOCSA-N	285.387	4.388	50	20	CIGD	
CCC[C@H](CC1CCCCC1)C(=O)N1CC=C(C#N)CC1	760003615	MKKFPOQWXMZFOC-QGZVFWFLSA-N	288.435	4.055	50	20	CIGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cc2ccccc2o1	769587140	YFHPEXSEIYXXJJ-OLZOCXBDSA-N	298.386	4.365	50	20	CIGD	
Cc1cccc([C@H]2CCCN2C[C@H](C)CBr)c1	770647975	NSJSVNMBMBZAGD-UKRRQHHQSA-N	296.252	4.163	50	20	CIGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)C1CCCC1	789149579	ZUPNJQRUGQPRAY-XYOKQWHBSA-N	298.367	4.069	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C2CC2)cc1	840715331	ALXJFHLLHKSIRB-HMHNVIDESA-N	253.345	4.086	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)c(Cl)c1	918714043	QLEMLKUDMLALLY-GHXNOFRVSA-N	291.778	4.261	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(C)cccc1C	1320193463	CXLRSHNBBCPHJE-WJDWOHSUSA-N	275.351	4.402	50	20	CIGD	
O=C(Cl)Oc1c(Cl)cc(Cl)cc1Cl	3642047	KUZDOAWPCGDGRN-UHFFFAOYSA-N	259.903	4.384	50	20	CIGD	
N#C/C(=C\c1ccccc1)C(=O)c1cc2ccccc2o1	48417555	VCNCUZJQEJLPND-XNTDXEJSSA-N	273.291	4.223	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	78162513	QXOPCJBVHLYLGS-WQLSENKSSA-N	290.432	4.353	50	20	CIGD	
CC(C(=O)NNc1ccc(C(F)(F)F)cc1)=C1CCCC1	159867499	IVXMBSUDJVMEOK-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CCCCC(C)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	252517015	YWGBUVCDRIWFQX-LLVKDONJSA-N	292.448	4.169	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	726428012	CSKHCOUSXCTFDT-MJWAUXSNSA-N	281.277	4.228	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccc(C#N)cc1	747053396	UCNZDNXZUNRBON-UHFFFAOYSA-N	285.391	4.024	50	20	CIGD	
CC/C(=C\C(=O)NNc1ccccc1F)c1ccc(C)cc1	748049359	UBPDZOODRGVFJF-WYMLVPIESA-N	298.361	4.071	50	20	CIGD	
COc1ccc(CN(C)/C(=C\C#N)c2ccccc2)cc1C	750796545	QYSOYKVJSVAKLJ-WQRHYEAKSA-N	292.382	4.000	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c(C)c1	772180405	WTQHJPXHEVDWAU-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1F	774559390	POTZQZMRQPMLLG-OQLLNIDSSA-N	296.301	4.415	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794876006	ZSBPKOQUCDLBGW-SEEODLKFSA-N	263.287	4.146	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cccc(Cl)c1	807949282	GWKVPZCAIKCZCH-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CC[C@@H](c2ccccc2)C1	814826308	XANCDYVHXXWWQH-MRXNPFEDSA-N	284.403	4.007	50	20	CIGD	
N#CC(C#N)=CNc1ccccc1Oc1ccccc1Cl	16721789	BUHCPGHRECRMQC-UHFFFAOYSA-N	295.729	4.475	50	20	CIGD	
C[C@H](Br)CCCc1nc2ccccc2s1	86826479	PIAPKLPIYMZTPK-VIFPVBQESA-N	284.222	4.402	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C(C)(C)c2ccccc2C)c1	178982400	XONYFEORMMTYCU-UHFFFAOYSA-N	296.414	4.033	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)c1cnc2ccccc2n1	191357336	KDOYLVOXYKLCKI-UVTDQMKNSA-N	297.317	4.440	50	20	CIGD	
CC[C@@H](Cl)c1nc(O)c2cc(Cl)c(Cl)cc2n1	280475273	ZHNLJRFYUATORD-ZCFIWIBFSA-N	291.565	4.332	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	766287830	ISLHCEWRXHDXLH-NTEUORMPSA-N	296.757	4.194	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(CCl)c1	799891234	BEEGNRGYRLWUTM-ZENNRRHLSA-N	275.779	4.338	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1cc2ccccc2cc1O	818205186	RELHUYJFHNLUBK-UHFFFAOYSA-N	298.386	4.231	50	20	CIGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccccc1F	916291169	RGQOZJPHPBAVMT-XHOSPMEYSA-N	288.366	4.234	50	20	CIGD	
Cc1ccccc1C(=O)NN=Cc1ccc(C(C)(C)C)cc1	916362161	SHHRNCBDYIBQIK-UHFFFAOYSA-N	294.398	4.056	50	20	CIGD	
CC(C)(C)Cc1ccccc1C(=O)NNc1ccccc1	935016496	JNKLHVLUDRLGRI-UHFFFAOYSA-N	282.387	4.032	50	20	CIGD	
N#C/C(=C\c1ccc(CSC(F)F)o1)c1ccccn1	43078818	HHBLSIWUBIPVOT-JXMROGBWSA-N	292.310	4.195	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	729819617	BYGVUFBIQPBHEO-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
CCCOc1ccccc1[C@@H](CC(C)C)NC=C(C#N)C#N	746403905	FKKSODCVTWCPLE-QGZVFWFLSA-N	297.402	4.083	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(F)cc2)c1	918714382	UDCSFSRBUFGWEY-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2ncccc2c1	125532313	SSYJTPXICNTWNH-KWWJGWKXSA-N	278.355	4.147	50	20	CIGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1	212649552	YGEXJUZRYVTLHX-KAMYIIQDSA-N	279.339	4.367	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccccc2)cc1	213630550	TXUDFBGNGIOGPA-AQTBWJFISA-N	275.351	4.429	50	20	CIGD	
CCN(Cc1cccs1)/C(=C\C#N)c1ccccc1	254965821	PGRJJDCTPFNNCS-YBEGLDIGSA-N	268.385	4.135	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(F)c1F	853005827	LNUKDLIUEBXMCJ-MXFUOJGSSA-N	281.277	4.016	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C(C)(C)C)cc2)c1	857501154	HCVOQRFHRDSOAA-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
O=C(NN=CC1CCCCC1)c1ccc2ccccc2c1	917547536	VCKRBSHGQXPBDX-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1318821656	GAVKHLMXBWABQP-GZTJUZNOSA-N	267.372	4.088	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc2ccoc12	1347926817	OOKNVCCDLKTEOW-UVTDQMKNSA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C\c1ccc2ncccc2c1)c1nc2ccccc2[nH]1	5071756	ZQSZGCANTMFTFJ-RVDMUPIBSA-N	296.333	4.175	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1)c1cccc(C(F)F)c1	178845361	PLCCOIRPNJNNJP-UHFFFAOYSA-N	296.704	4.035	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2csc3ccccc23)c1	194387066	XMZSYBDHGSFKGD-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	741473326	GVYLGBPGONAYIQ-QVIVLVACSA-N	279.742	4.391	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	756746421	ZRNBIYHCRSREQK-ARFHVFGLSA-N	286.419	4.045	50	20	CIGD	
CC(C)CC1(C(=O)NNc2c(F)cccc2Cl)CCC1	770190777	LXFVHZCIMKFDMD-UHFFFAOYSA-N	298.789	4.139	50	20	CIGD	
Cc1ccccc1[C@@H]1CCCN1C[C@H](C)CBr	770648003	NTCUDWKLMLEUOA-DOMZBBRYSA-N	296.252	4.163	50	20	CIGD	
CN(C(=O)CCCC[C@H]1CCSS1)C1CCCC1	42004972	HEEHKXPXPMXDCN-ZDUSSCGKSA-N	287.494	4.102	50	20	CIGD	
CC1(NC(=O)CCCC[C@@H]2CCSS2)CCCC1	139371081	GMHDPFYOQBEQLZ-GFCCVEGCSA-N	287.494	4.149	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	741471269	YPAPMYGDXJJVBD-SUCHYCSPSA-N	298.430	4.445	50	20	CIGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)C(C)(C)CC)cc1	794874277	KFKINDAJWPTTMT-SSZFMOIBSA-N	298.430	4.445	50	20	CIGD	
CC(C)c1cccc(/C=C(/C#N)C(=O)C(C)(C)F)c1	853002674	SDEIQROZKZXYRB-ZROIWOOFSA-N	259.324	4.034	50	20	CIGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1	14150454	NZCPKACTIADBNE-SFQUDFHCSA-N	289.334	4.041	50	20	CIGD	
Cc1cc(Cl)cc(C(=O)NNc2cc(C)ccc2C)c1	159096669	JCBXAJYGHQWARG-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CCC[C@@H](C(=O)NNc1ccccc1C)c1ccccc1	192732443	OWCVOFCBOFCAAG-MRXNPFEDSA-N	282.387	4.022	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	255289073	QRIFMGOOEDVTRM-GJSJWPQCSA-N	293.313	4.200	50	20	CIGD	
C[C@@](CCl)(CCOCc1ccccc1)C1CC1	307626751	HYDJKXYNQVTKEU-HNNXBMFYSA-N	252.785	4.248	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	726428444	MDLGITSBLCQGCL-BKLZJWBFSA-N	281.277	4.228	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)C(C)C	776189591	IHLYKSBIKZHCLH-KPKJPENVSA-N	261.752	4.089	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C)c(F)c1	794881668	XTBGKICBNLWJCM-MDWZMJQESA-N	259.324	4.046	50	20	CIGD	
ClCCCOc1ccc(CN2CCC3(CCC3)C2)cc1	811464262	UJQHVSOOBINLHE-UHFFFAOYSA-N	293.838	4.070	50	20	CIGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(OCC)cc1	817908476	JIGFHUGFGFUTKF-CQSZACIVSA-N	292.423	4.135	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)s1	33406642	IZOBYAFWYHXWLU-ZROIWOOFSA-N	296.395	4.219	50	20	CIGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)C1CCCCC1	128874110	KKXVIPXFMKKWIH-JYRVWZFOSA-N	289.762	4.102	50	20	CIGD	
Cc1cc(CO[Si](C)(C)C(C)(C)C)cc(C)n1	520789716	OYJQJFUNEPTYCO-UHFFFAOYSA-N	251.446	4.220	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(F)cc2F)c1C	727655119	NPRFHHPZNQMOGH-RIYZIHGNSA-N	297.304	4.372	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCC2)c(C)n1C1CC1	781556182	UORYFFSLVPQWJA-MHWRWJLKSA-N	282.387	4.106	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1ccccc1	812761869	DWRLBXVVPXWOSJ-UHFFFAOYSA-N	296.414	4.194	50	20	CIGD	
Cc1sccc1C(=O)NNc1ccc(C(C)(C)C)cc1	828101128	HORNOJWQGWIVMZ-UHFFFAOYSA-N	288.416	4.111	50	20	CIGD	
CCC(=NNC(=O)c1ccccc1Cl)C1CCCCC1	1325288174	USMGEZFRIBTXLD-UHFFFAOYSA-N	292.810	4.416	50	20	CIGD	
CC(CC1CCCC1)=NNC(=O)c1ccccc1Cl	1335498653	JQZBCFSQMGXWJV-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
N#C/C(=C\c1ccco1)C(=O)c1c(Cl)cccc1Cl	48639722	PJFAMBFZXWIQHM-VQHVLOKHSA-N	292.121	4.376	50	20	CIGD	
Br[C@@H]1CCCCC[C@@H]1OC1CCCC1	50502658	ZYAXGXALVLOEPN-NEPJUHHUSA-N	261.203	4.042	50	20	CIGD	
C[C@H](O[C@@H]1CCCC[C@@H]1Br)c1ccccc1	50502814	VTAVNVJNHNTIGG-FPMFFAJLSA-N	283.209	4.470	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1ccsc1	588600677	DAUIUQRMNCZUBI-UITAMQMPSA-N	279.773	4.253	50	20	CIGD	
CCCCCCC(=O)NNc1c(C)cc(C)cc1C	743761998	HKAPFLPDVXZCRE-UHFFFAOYSA-N	262.397	4.025	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@H]2CCC[C@@H](C)C2)c(C)c1	743764467	JXQGRYWRUQIDRA-WBMJQRKESA-N	288.435	4.271	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1C1CC1	750818062	OFZSSWLENFSEMM-GQVHDAKQSA-N	253.345	4.086	50	20	CIGD	
CCN(Cc1cccs1)/C(=C\C#N)c1ccc(F)cc1	764121466	PSBNENNAHRLBBG-SXGWCWSVSA-N	286.375	4.274	50	20	CIGD	
C=CCSc1ccccc1C(=O)NNc1cccc(C)c1	777114726	AGSYDYWTZBLAKR-UHFFFAOYSA-N	298.411	4.030	50	20	CIGD	
N#C/C(=C/c1ccc(F)nc1)c1nc2cc(F)ccc2s1	777468141	VQQRGQJFHOUOCB-YHYXMXQVSA-N	299.305	4.034	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1	798227721	RDDWIJFMLVEHBA-PTNGSMBKSA-N	291.379	4.177	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)s1	194535046	YYPFUBIYJMGNAV-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
CSSCCNC(=O)Nc1ccccc1C(C)(C)C	284403934	CKSHMWUAFQTSPB-UHFFFAOYSA-N	298.477	4.117	50	20	CIGD	
ClC[C@@]1(COCc2ccccc2)CC=CCC1	306377432	RTZMTOAVMXLNCS-OAHLLOKOSA-N	250.769	4.169	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)OCCC1CC1	744284596	JKKCMAPUTPEHSQ-GFCCVEGCSA-N	274.451	4.044	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCCC(F)(F)C2)cc1	837056615	BOYFFVAGSAKGCV-CYBMUJFWSA-N	296.361	4.079	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc2ccncc2s1	849244393	AEJJMEBMJFWAPV-JYVXZMADSA-N	284.384	4.209	50	20	CIGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@H]1c1ccccc1	1347936726	BDWWWLHLWWZBHL-HOJRLLLISA-N	291.822	4.004	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	40139982	QPDHBNNUCHHRAB-YHYXMXQVSA-N	268.143	4.125	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	213083050	JTTJQSDKHJRAET-ATVHPVEESA-N	290.366	4.103	50	20	CIGD	
Cc1cccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)c1	254838581	SWLYQJHIVBYSHY-UHFFFAOYSA-N	294.398	4.056	50	20	CIGD	
C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CCl	379452819	LJCNPDCZABOEFQ-GFCCVEGCSA-N	293.819	4.077	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1F	779799810	VEXJAZGSVCYYLL-SDQBBNPISA-N	288.347	4.054	50	20	CIGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)C1CCCC1	781554793	WCTCAGLIJLGHOX-MDWZMJQESA-N	286.400	4.077	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2csc(Cl)c2)c(C)c1	787134608	BKUDHNXMCNHXTG-UHFFFAOYSA-N	294.807	4.084	50	20	CIGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)c1ccoc1	798230361	QCBMLGOCQGBPII-SDQBBNPISA-N	291.228	4.088	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccc(C)cc1O	917548961	PIBBIUDFBJRQEW-UHFFFAOYSA-N	290.407	4.167	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	726428919	QINOOHXOZLLPTE-ISAHRAOESA-N	265.715	4.001	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741843002	WQEOLUJLZDQKHM-VSXLWIIGSA-N	285.318	4.484	50	20	CIGD	
CCc1ccc([C@@H](C)C(=O)NNc2cc(C)cc(C)c2)cc1	748359860	WSIIMLQKNOLSHO-OAHLLOKOSA-N	296.414	4.113	50	20	CIGD	
N#C/C(=C/c1nc(Cl)cs1)c1ccc2ccccc2n1	759075108	DWYUSDTUZIRIKZ-XFFZJAGNSA-N	297.770	4.409	50	20	CIGD	
CCC1(C(=O)NNc2cc(C)cc(C)c2)CCCCC1	764263414	IAIBHBYWZKUZLN-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)C2CCCCC2)c1C	767714481	QEOPUFFKCRAWNP-GZTJUZNOSA-N	284.403	4.181	50	20	CIGD	
CC[C@](C)(NCCO[Si](C)(C)C(C)(C)C)C(F)(F)F	808737023	HVLPRQOQISRWQA-LBPRGKRZSA-N	299.453	4.329	50	20	CIGD	
CCCCC[C@](C)(CC)C(=O)NNc1cccc(Cl)n1	817006909	FJZNLCURIMTMGY-HNNXBMFYSA-N	297.830	4.175	50	20	CIGD	
C[C@@H](CCC#N)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844336756	NWFQAPRTWYCHGX-GJZGRUSLSA-N	296.531	4.165	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccccc2)cc1	920154423	LZBXPSSQXYUHKR-BRYHAGSVSA-N	291.350	4.206	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(F)cc1	49072877	KOVGBTVBSXZNTG-CYBMUJFWSA-N	299.436	4.478	50	20	CIGD	
CC(C)[C@H](C)O[C@@H]1CCCCC[C@@H]1Br	87468428	NGNYJXVYLFTDAA-SDDRHHMPSA-N	263.219	4.144	50	20	CIGD	
CCc1sc(C(=O)NNc2ccccc2Cl)cc1C	120746479	AIUFECVGAYAYNI-UHFFFAOYSA-N	294.807	4.029	50	20	CIGD	
C[C@H](CBr)CN[C@@H](C)c1ccccc1Cl	133927745	YONKJJSNNMXDDQ-ZJUUUORDSA-N	290.632	4.022	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)o1	179604845	YHRJRTHJKIVGTQ-IZZDOVSWSA-N	289.693	4.170	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	212694675	PFPPZCGXKYTSQS-WJDWOHSUSA-N	279.314	4.178	50	20	CIGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1Cl)C(C)(C)C	752810280	HYEZAMZPLYGVCR-MRVPVSSYSA-N	289.206	4.119	50	20	CIGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)C1CCCC1	781555973	SQDSYFHUEOWCBF-UKTHLTGXSA-N	293.288	4.372	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)n(CC)c1C	170869712	BBJXBSAJPKUPRR-MHWRWJLKSA-N	272.392	4.037	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	733206442	KAERXWFBIWJAIJ-NJQKBMNKSA-N	299.267	4.367	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)cc(C)c2)cc1	764891930	PFWMBVBQLSSRSY-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
C/C(N)=C(/C#N)c1nc(-c2oc3ccccc3c2C)cs1	806553819	ZMLCOWINNFCSDM-ZRDIBKRKSA-N	295.367	4.078	50	20	CIGD	
C=C[C@@](C)(CC)C(=O)NNc1cccc(Cl)c1Cl	838348061	CWNSUQBRIXWXTD-ZDUSSCGKSA-N	287.190	4.039	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(C3CCC3)cc2)cc1F	856227625	HCAQMMFWIFFUOV-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2)s1	170933597	NLQSTULHXLFNIL-GHXNOFRVSA-N	287.771	4.500	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)cs1	263655674	IFUQUBKPBNUAQR-ZKUGPGMGSA-N	298.205	4.033	50	20	CIGD	
CC(C)[C@@](C)(CCl)CCOCc1ccccc1	306743958	HSRMKQVRDMRGEZ-OAHLLOKOSA-N	254.801	4.494	50	20	CIGD	
C[C@@H]1CC[C@](CC=O)(O[Si](C)(C)C(C)(C)C)C1	536950265	NROFZRGLIOPVJW-TZMCWYRMSA-N	256.462	4.156	50	20	CIGD	
CCC[C@H](C=NNC(=O)c1ccccc1F)c1ccccc1	769567157	NERANQPRHIAWHJ-OAHLLOKOSA-N	298.361	4.125	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)C1CCCC1	781554582	RTHLQKSACYAION-AMHNRXTASA-N	265.356	4.299	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccccc1Cl	794875217	RMMXDBJNCZODPI-XFXZXTDPSA-N	261.752	4.252	50	20	CIGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1ccccc1F	811630056	RPCYGMYVAOZLNS-UHFFFAOYSA-N	288.366	4.046	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1	812246356	JWBFRNTUKWDRDW-XFFZJAGNSA-N	292.235	4.304	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CC2(CCC2)C1	843889974	ITZGSMIIAFQRGZ-UHFFFAOYSA-N	286.419	4.142	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	8201808	GNADYPSTRUYIJX-SDNWHVSQSA-N	295.313	4.014	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)cccc2F)s1	170933587	GUFVKNTYWVWRPV-JXMROGBWSA-N	289.306	4.125	50	20	CIGD	
CCC[C@H](CBr)CCOCc1ccccc1	307414933	UGPXISCILHLADO-ZDUSSCGKSA-N	285.225	4.405	50	20	CIGD	
CC(C)c1[nH]nc(-c2ccsc2)c1CBr	409443837	VESHNSBCPJWXQY-UHFFFAOYSA-N	285.210	4.157	50	20	CIGD	
CCCCCC[C@@H](C)CC(=O)NNc1cccc(C)c1	731784080	DLPOHVZEWRGRQL-OAHLLOKOSA-N	276.424	4.435	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	741471272	YPAPMYGDXJJVBD-XOAFGZPJSA-N	298.430	4.445	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc(O)cc1	799889825	SYALSRJYDZQMSG-RUDMXATFSA-N	272.731	4.027	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)c1nc2ccccc2[nH]1	160189650	JUIJMNJFINKESW-XFXZXTDPSA-N	285.306	4.373	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(C)ccc2C)c1	5127804	XWAJFHWEAVQBFS-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(F)cc(F)c1	158841149	TTZVWXUYIUXAOA-NYYWCZLTSA-N	289.306	4.125	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc3c2OCO3)n1	176919282	ZURBJXOLWYJFMY-WUXMJOGZSA-N	298.367	4.059	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1	212695040	OAIWPYOHUJRWNU-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
CSSCCNc1cc(C#N)ccc1C(F)(F)F	804699609	ULQTXHBULBNCKA-UHFFFAOYSA-N	292.351	4.000	50	20	CIGD	
CC[C@H](C)n1c(SC/C=C/C#N)nnc1-c1ccccc1	840193875	JBLJAXODDLZWAH-GWJCSSMESA-N	298.415	4.088	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1coc2ccccc12	255081122	QDWXAFPVGVMXNL-LCYFTJDESA-N	267.328	4.345	50	20	CIGD	
CCCCC[C@@H](C(=O)NNc1ccc(Cl)nc1)C(C)C	755828245	HZZZVYKZPWWKHL-CYBMUJFWSA-N	297.830	4.031	50	20	CIGD	
O=C(CC1CCCC1)NNc1cc(Cl)cc(Cl)c1	791729704	ZVWIVXBOEFYUBQ-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccnn2C(C)C)n1	794875867	XCRHVKKZBQRDOF-GHXNOFRVSA-N	286.404	4.108	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1	31429292	IVJRDSFTQIYHQL-WQLSENKSSA-N	279.730	4.280	50	20	CIGD	
CSc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	96843843	BQZAREFXCPDYPJ-GHXNOFRVSA-N	272.398	4.238	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	152132231	JYCODXXZZDTNRW-UXBLZVDNSA-N	265.715	4.001	50	20	CIGD	
CCCCOc1ccccc1/C=C(\C#N)c1ccccn1	184745274	IWNAACGSILGPFK-DTQAZKPQSA-N	278.355	4.325	50	20	CIGD	
CC(C)C[C@H](CBr)COCc1ccccc1	230090551	CRSGVSSZOPDPQP-CQSZACIVSA-N	285.225	4.260	50	20	CIGD	
CC[C@H](C)OC(=O)CCCC[C@@H]1CCSS1	729078097	JBIXZISHHUDXBV-WDEREUQCSA-N	262.440	4.042	50	20	CIGD	
COc1ccc(C)cc1/C=C(\C#N)c1nc(C)c(C)s1	741474567	QPNJJADKEFEVNJ-RIYZIHGNSA-N	284.384	4.141	50	20	CIGD	
CCC[C@@H](C=NNC(=O)c1ccccc1C)c1ccccc1	769569136	DOVGHBGIOWHAOR-KRWDZBQOSA-N	294.398	4.295	50	20	CIGD	
CCCC[C@@H](CC)C(=O)NNc1ccc(Cl)c(OC)c1	790180070	NKZXLVXTDXENRP-LLVKDONJSA-N	298.814	4.008	50	20	CIGD	
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(CCl)c1)C2	799892364	OMFIEHGLGQTQFE-OVCLIPMQSA-N	298.769	4.256	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(Cl)cncc1Cl	865217484	KBBOJLSDNFZHQO-BJMVGYQFSA-N	297.185	4.301	50	20	CIGD	
CCCCCCOc1ccc(C(=O)NN=C(C)CC)cc1	916285451	LFAJBTYPGDJFKQ-UHFFFAOYSA-N	290.407	4.161	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1sccc1Cl	1116815203	CPYDIVOUPVZMDN-FLIBITNWSA-N	287.771	4.500	50	20	CIGD	
Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)o1	68741510	UYRWQNPTRBYWON-UHFFFAOYSA-N	292.338	4.071	50	20	CIGD	
CCC(CC)NC(=O)CCCC[C@@H]1CCSS1	72777420	JWJLYZIIZCFEGG-GFCCVEGCSA-N	275.483	4.005	50	20	CIGD	
N#C/C(=C/c1ccccc1)c1nc2ccccc2n1C(F)F	193315477	LDKRPCYUHSEBAT-RAXLEYEMSA-N	295.292	4.496	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)cc1	726118828	RBZDYVOFEWCSOC-UKTHLTGXSA-N	261.752	4.252	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)[C@H](c2ccccc2)C(C)C)c1	748413358	XOYFMVBWMGTGMN-SFHVURJKSA-N	296.414	4.186	50	20	CIGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(C)o1	752174498	NZXCWBNNKDSTHQ-AWEZNQCLSA-N	290.407	4.444	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC(c2ccsc2)CC1	776886986	MBYDCZQELHBEHV-NGYBGAFCSA-N	294.423	4.492	50	20	CIGD	
C=CCC(CC=C)C(=O)NNc1ccc(C(C)(C)C)cc1	780806334	KVIGUIFSTVRMDM-UHFFFAOYSA-N	286.419	4.196	50	20	CIGD	
C[C@@H]1CCC(=NNC(=O)c2cccc3ccccc23)[C@H](C)C1	783850629	UZKLVPHHRUFDMH-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
N#CC(C#N)=CNc1ccc(Oc2ccc(Cl)cc2)cc1	811626990	OJCXLURVDYZJOS-UHFFFAOYSA-N	295.729	4.475	50	20	CIGD	
O=C(NN=C1CCCC12CCCC2)c1cc2ccccc2o1	814867098	QBJZNURRSFJNLK-UHFFFAOYSA-N	296.370	4.263	50	20	CIGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)C(C)(C)F	834447723	PXZCXFQRGWMLJU-SDNWHVSQSA-N	289.350	4.090	50	20	CIGD	
CCCCCC1=C(C)CCC1=NNC(=O)CC(F)(F)F	917550545	HARLIFHLMIKXAF-UHFFFAOYSA-N	290.329	4.102	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C/C=C/c1ccccc1	5069031	FZACAWGARHLAGF-RMXCOSCZSA-N	288.350	4.097	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177613813	OWHFMOIQZQRXDL-UXBLZVDNSA-N	288.397	4.004	50	20	CIGD	
N#C/C(=C/c1ccccc1)C(=O)c1ccccc1OC(F)F	183403269	OLARCYJOWDKUTO-RAXLEYEMSA-N	299.276	4.078	50	20	CIGD	
C[C@H]1CCCCC1=NNC(=O)c1c(Cl)cccc1Cl	727781334	JQDQCNWUDMJZEY-VIFPVBQESA-N	299.201	4.289	50	20	CIGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1cccc(C#N)c1	728781923	APGWXIAXBNRYFL-HNNXBMFYSA-N	297.402	4.046	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2Cl)cc1	764891563	LWKOUJSIAQHZCD-XNTDXEJSSA-N	281.742	4.438	50	20	CIGD	
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)C3CCCC3)c2O1	781556503	YGQBWIVALAIFNC-YBEGLDIGSA-N	295.382	4.066	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1F	807975272	MOVUAJKDYDNRCT-JTQLQIEISA-N	298.789	4.411	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1c(CC)oc2ccccc12	8199908	ZKBKHSLMBJMWTF-ACCUITESSA-N	297.354	4.245	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)s2)c(C)c1	96663282	NULNUEGGLRHZBP-ZROIWOOFSA-N	296.395	4.219	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NCCC1CCC1	150849953	YSMHDHLALIKDQP-ZDUSSCGKSA-N	287.494	4.007	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	727266742	DVQAULHRPLSHCX-IGVUGNCQSA-N	296.395	4.332	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	747034140	PCZCDBKJZWZHTG-KPKJPENVSA-N	293.313	4.200	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1C	773173475	WZJDGBGMESYLHA-GIDUJCDVSA-N	297.304	4.372	50	20	CIGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1=CCCCCC1	775885282	WNXIVFHZWVHUQS-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(C2CC2)c1	817346954	ZHLTVXPTGCQFNL-KPENOIPVSA-N	253.345	4.086	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1sccc1C	918186074	RWXNIAHMYUJURO-JLHYYAGUSA-N	284.384	4.058	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	7160165	AYZIEUPZJCKJRR-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
BrC[C@@H](OC1CCCC1)c1ccccc1	50480412	ORBHVSYRPRPNGW-CYBMUJFWSA-N	269.182	4.082	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)c1	181136059	LUUFOPPCCUMECY-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	729822865	DKMBIYJEAJORQG-GDNBJRDFSA-N	281.380	4.409	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c(C)c1	729824138	YDWRNXCNCUUEFL-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)c1cnc2ccccc2n1	790231898	ZZLXSLGNPRIFHE-CNFVKKRWSA-N	283.334	4.250	50	20	CIGD	
CSc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)s1	798231108	FVIUADYECGJKRS-CSKARUKUSA-N	297.408	4.410	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC[C@H](CC(F)(F)F)C1	817280821	DOPRBNIGXYCKKA-ATDKOCKZSA-N	294.320	4.215	50	20	CIGD	
N#C/C(=C/c1cnn(C2CCC2)c1)c1nc(C2CC2)cs1	899345730	SPOXGYPIIFSDPX-MLPAPPSSSA-N	296.399	4.006	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1	1116140129	WLQNJWAMXUVSMY-GZTJUZNOSA-N	290.322	4.148	50	20	CIGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1ccccc1Cl	1116290625	NHFRASBYDGKYJH-LBPRGKRZSA-N	292.810	4.272	50	20	CIGD	
O=C(NN=CC1CCCCC1)c1cccc2ccccc12	254877266	OKNRCECTUJIPFW-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)o1	730259759	CJSLZESGDAXCSB-POHAHGRESA-N	284.315	4.401	50	20	CIGD	
CC[C@H](C)CCCCC(=O)NNc1cccc2cnccc12	752634231	KNGLYZMJJBQEJH-AWEZNQCLSA-N	299.418	4.284	50	20	CIGD	
O=C(NNc1ccccc1F)Nc1ccc(C2CCC2)cc1	786228396	DTHMPGQNRTYXDI-UHFFFAOYSA-N	299.349	4.242	50	20	CIGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)C(C)(C)C	787168053	IAUAULBGSHWFRT-MXOVAJDFSA-N	298.342	4.063	50	20	CIGD	
CCCN(N=C1CCCC1(C)C)C(=O)OC(C)(C)C	794992623	FMPMNOPLQDENRS-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
O=C(NNc1ccccc1Oc1ccccc1)C1CCCC1	846461473	BAHWLMHJWREHIZ-UHFFFAOYSA-N	296.370	4.112	50	20	CIGD	
O=C(CC1CCC1)NNc1ccccc1Oc1ccccc1	846464315	WMNDWGUXZMFHGA-UHFFFAOYSA-N	296.370	4.112	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863184306	JRUQBPAQOVQALM-OPWUTIMJSA-N	287.306	4.289	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1	916129445	KEYNJPTTXCHGQV-PTNGSMBKSA-N	295.338	4.167	50	20	CIGD	
CCCCO[C@@H](CBr)c1cccc(F)c1	50479855	FUYTVEQVQUATFA-LBPRGKRZSA-N	275.161	4.078	50	20	CIGD	
CC(C)(C)c1ccc(-c2nnc(SC/C=C/C#N)o2)cc1	268632066	PEPVEQXWOFCHSS-SNAWJCMRSA-N	299.399	4.206	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NC12CCC(CC1)C2	369908203	KGNBWQRRPSIOJA-JVWICGRDSA-N	299.505	4.149	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CC2CCC1CC2	371383867	PXOHDNCSUROWDO-JXQTWKCFSA-N	299.505	4.102	50	20	CIGD	
C[C@@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C[C@H](C)C1	747752981	JNIJCOJDBWAINN-OKILXGFUSA-N	294.398	4.382	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1C	772180274	VBDKPZQLGGCKQV-UUASQNMZSA-N	297.304	4.372	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)C2CCCC2)o1	781552696	CLDKLSAJVIYCIR-PEZBLYKWSA-N	269.344	4.069	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccc(F)cc1	785365700	WAQWXQGGMBCCMT-RERGGYADSA-N	295.313	4.037	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)c2nnc([C@@H](C)CC)o2)cc1	1327874013	LJIGEXXPOPAMKH-GVIGZQTCSA-N	297.358	4.046	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)c2ccsc2)c1	53107719	DEZRVQDDSMKEQY-OQLLNIDSSA-N	297.379	4.327	50	20	CIGD	
COc1ccccc1/C=C(\C#N)c1nc(C(C)C)cs1	176917908	YDRFZJVGVPAJLY-MDWZMJQESA-N	284.384	4.339	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1F	731490103	QTLDLHJMJJJEIZ-NTUHNPAUSA-N	259.324	4.046	50	20	CIGD	
CC(CCCC(C)C)=NNC(=O)c1c[nH]c2ccccc12	764656934	DODDPPBVSAZAND-UHFFFAOYSA-N	285.391	4.100	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1	794886075	YWEMOLJZJZSGAI-WQRHYEAKSA-N	298.345	4.333	50	20	CIGD	
N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(CCl)c1)C2	811697345	ZZCMPGNKILKGTG-APSNUPSMSA-N	293.753	4.119	50	20	CIGD	
Cc1ccc(C2CC(=NNC(=O)c3cc(C)cs3)C2)cc1	863155353	HCFOMNVURACTLO-UHFFFAOYSA-N	298.411	4.028	50	20	CIGD	
O=C(NNc1ccccc1Cl)c1cccc(C(F)F)c1	178976643	TVCUBYLNHAMMGZ-UHFFFAOYSA-N	296.704	4.035	50	20	CIGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccsc1	749103965	GQHHXTSDVCICBO-UHFFFAOYSA-N	294.379	4.055	50	20	CIGD	
CCCCCC=NN(CCC)C(=O)OC(C)(C)C	794992475	AOARRQBTNINYEV-UHFFFAOYSA-N	256.390	4.200	50	20	CIGD	
N#C/C(=C\c1ccc(C2CCCC2)cc1)c1ccncn1	812243712	SGSUEQANNFMZNR-GZTJUZNOSA-N	275.355	4.198	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246150	DXOFEISLEIJXED-MDWZMJQESA-N	288.272	4.473	50	20	CIGD	
C[C@H](c1ccco1)N(C(=O)C1CCC(Cl)CC1)C1CC1	1346304850	HNGFAOCGKAKQTH-PNESKVBLSA-N	295.810	4.129	50	20	CIGD	
O=C(NN=C1CCCCCCCCCCC1)c1ccc[nH]1	7903086	UYEVCGLEVLBXEB-UHFFFAOYSA-N	289.423	4.405	50	20	CIGD	
CC[C@@H](CC(=O)NNc1ccccc1)c1ccc(C)cc1	130340040	SEHWPEFCOXVBPT-HNNXBMFYSA-N	282.387	4.022	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1Cl	193743413	MIJMMRQRMFASBS-AWNIVKPZSA-N	287.771	4.500	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	212017487	YVRJLBTTZDQCJV-ATVHPVEESA-N	291.350	4.135	50	20	CIGD	
C[C@@H]1CCCCC1=NNC(=O)c1ccc(Cl)cc1Cl	254378453	GTLASNPGDAAEQP-SECBINFHSA-N	299.201	4.289	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CCC[C@H]1CCC(C)C	727253247	FBFONIVMIGOTBU-HNNXBMFYSA-N	286.419	4.317	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1	735618817	GEBUSIZZSOIQLJ-WJDWOHSUSA-N	287.366	4.498	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)c2nc(C)cs2)c(C)c1	849176632	RVAAAEGKKYGXJN-RIYZIHGNSA-N	284.384	4.223	50	20	CIGD	
N#CSCCCCOc1ccc(-c2ccncc2)cc1	904741231	IZWRMIGIZYSXSE-UHFFFAOYSA-N	284.384	4.122	50	20	CIGD	
Cc1cc(Sc2ccccc2)ccc1NC=C(C#N)C#N	920179029	XXDGZFXGCHPKNP-UHFFFAOYSA-N	291.379	4.489	50	20	CIGD	
O=C(Cl)c1cc(Cl)cc(SC(F)(F)F)c1	1898227575	VNFVAVDGKPYYJX-UHFFFAOYSA-N	275.078	4.331	50	20	CIGD	
BrCc1cccc(OCCc2ccccc2)c1	36894829	BNSWDBJVHAWHEW-UHFFFAOYSA-N	291.188	4.203	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1sccc1Cl	195338590	RMXSQDQJJAXQBG-HZAKCSEPSA-N	267.781	4.314	50	20	CIGD	
CC(C)C(C)(C)NC(=O)CCCC[C@@H]1CCSS1	728031193	RSLKKBAKAHMJDS-GFCCVEGCSA-N	289.510	4.251	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	755569719	KPHPQXVJKDSDKK-XNTDXEJSSA-N	278.311	4.276	50	20	CIGD	
O=C(/C=C/C1CCCCC1)NNc1c(F)cccc1Cl	770203825	SXOQDTXDXAMELL-MDZDMXLPSA-N	296.773	4.059	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c(C)c1	772180406	WTQHJPXHEVDWAU-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
C=C(CBr)CN1CCCC[C@@H]1c1ccccc1	791494479	SEBNAIOOOIPJLL-OAHLLOKOSA-N	294.236	4.165	50	20	CIGD	
CCCN(N=C1CCC[C@H]1CC)C(=O)OC(C)(C)C	794997530	WGQZFGMTOXDKLM-GFCCVEGCSA-N	268.401	4.200	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](c2ccco2)C1	808726121	QEFHAMGEGGAEOR-CQSZACIVSA-N	295.499	4.091	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1sccc1Cl	588601300	RMXSQDQJJAXQBG-CBFJXKFUSA-N	267.781	4.314	50	20	CIGD	
C[C@@H]1CCCCC1=NNC(=O)c1c(Cl)cccc1Cl	727781333	JQDQCNWUDMJZEY-SECBINFHSA-N	299.201	4.289	50	20	CIGD	
CC(C)=CCCNCc1ccc(OCCCCl)cc1	811495720	PWNYOGIJPYMFQU-UHFFFAOYSA-N	281.827	4.140	50	20	CIGD	
Cc1csc(C(=O)NN=C2CCC3(CCCC3)CC2)c1	863157410	ZURMLXWOVRMMOP-UHFFFAOYSA-N	290.432	4.277	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	4603304	XIEKEHHFSXLFBG-IZZDOVSWSA-N	272.398	4.455	50	20	CIGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)c1ccccc1	741840213	KMWVAPVUCFFKPU-UVTDQMKNSA-N	291.281	4.362	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(C)cccc1C	755586828	CRNJESVFMQTHMR-ZROIWOOFSA-N	281.380	4.463	50	20	CIGD	
CC[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1	785360334	AHRZWRIDFXEUKM-KJCUYJGMSA-N	291.350	4.288	50	20	CIGD	
CCCN(N=C(C)c1cc(C)oc1C)C(=O)OC(C)(C)C	794993143	QOENYKFQZGPRAE-UHFFFAOYSA-N	294.395	4.268	50	20	CIGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)c1nc(C2CC2)cs1	843264486	IYNUCIWLKKZVDP-AWNIVKPZSA-N	298.415	4.171	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cc2c(s1)CCC2	915947429	UOKIKGICOUGFNN-LLVKDONJSA-N	292.448	4.169	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccccc2C)c1	1251316170	OXAOSBCZDVALTJ-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
CC[C@H](Cl)c1nc(O)c2cc(Cl)c(Cl)cc2n1	280475272	ZHNLJRFYUATORD-LURJTMIESA-N	291.565	4.332	50	20	CIGD	
C[C@@H](CC(=O)NNc1c(F)cccc1F)C1CCCCC1	735700327	KNFAVXXDBNYJJU-NSHDSACASA-N	296.361	4.014	50	20	CIGD	
CC(C)(C(=O)NN=CC1CCCCCC1)c1ccccc1	741841392	CIVZQLGMDVLIDL-UHFFFAOYSA-N	286.419	4.037	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)o1	783688117	SOHPTVKXPOSFEC-VQHVLOKHSA-N	291.759	4.347	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(Cl)cncc1Cl	865223640	KMWCVLIWZGCVSO-UITAMQMPSA-N	297.185	4.301	50	20	CIGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccccc1	916248938	SVUDEJRRUXSPNH-DNWSIMAJSA-N	270.376	4.095	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	16410688	ODRNQCCJUUTIJE-NTEUORMPSA-N	296.395	4.219	50	20	CIGD	
N#C/C(=C/c1cccs1)C(=O)c1ccc(F)c(Cl)c1	179604785	IVKWQELHDGWEIB-POHAHGRESA-N	291.734	4.330	50	20	CIGD	
Cc1ccc(-c2ccc(C=NNC(=O)CC(C)(C)C)o2)cc1	728429390	ZRRUVMNXRGAJCZ-UHFFFAOYSA-N	298.386	4.141	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	737443322	HQBJAXPTLSMYOV-YBEGLDIGSA-N	297.398	4.312	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C(C)(C)CC(C)C)c(C)c1	753341251	GWAXGWFJHCHGNH-UHFFFAOYSA-N	276.424	4.127	50	20	CIGD	
O=C(NNc1ccc2ccccc2n1)C1CCCCCCC1	777462314	MRGKPEJSUWLVPA-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)C2CCCC2)cc1C	781553887	YXFSHWGVFVWOBK-LICLKQGHSA-N	267.372	4.278	50	20	CIGD	
CC(C)(C)CC(=NNC(=O)c1cc2ccccc2o1)C1CC1	787158607	WFXYDVOBYWSNGE-UHFFFAOYSA-N	298.386	4.365	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccsc1Cl	790099504	HNWXCZGFMLNSTB-YRNVUSSQSA-N	267.781	4.314	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(O)c2)s1	797400022	ZEPQGGAHASVHJH-KPKJPENVSA-N	284.384	4.210	50	20	CIGD	
N#Cc1ccc(C(=O)/C=C/c2cccc(CCl)c2)s1	799891845	IHQUDZFXSOHISV-GQCTYLIASA-N	287.771	4.255	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	915984804	CJHRRUYNPZOAHM-GDNBJRDFSA-N	295.338	4.165	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1cc(C)cc(C)c1	918735652	LQCKTDMSYSWESN-ATVHPVEESA-N	292.382	4.305	50	20	CIGD	
CCCCc1ccc([C@H](NC(=O)CCl)C(C)C)cc1	1253963435	SLQSHLXSZDZLRS-MRXNPFEDSA-N	281.827	4.081	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccs2)c1C	67735355	CMKHLNKEXPOAKI-LCYFTJDESA-N	267.353	4.155	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(F)ccc1F	255730792	VMHXTXDCJXDUTK-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/C=C/c3ccccc3)[nH]c12	735619708	PKRMIOMZVLNBAR-IPASCASISA-N	285.350	4.492	50	20	CIGD	
CCCC(=NNC(=O)c1ccc(C)o1)C1CCCCC1	752175027	MEFCFUHFLWCEIZ-UHFFFAOYSA-N	276.380	4.054	50	20	CIGD	
CC[C@H](C)CCCCC(=O)NNc1ccc(C)cc1	753411692	SBCTVELTOSMBAG-ZDUSSCGKSA-N	262.397	4.045	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	794873729	GPZQOQUPXQWVCB-IESVIYHPSA-N	298.342	4.063	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN(CC(F)(F)F)C1CC1	808742416	TVFDBPLXDBAOLU-UHFFFAOYSA-N	297.437	4.035	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(C#N)s2)c1C	255414579	SMNJEOGUIVGDKD-JYRVWZFOSA-N	292.363	4.027	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)s1	731155613	MMFIZDJXSDTHFB-JLHYYAGUSA-N	296.395	4.165	50	20	CIGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(F)cc1F	734091772	CVWGKTUMROPXGN-GFCCVEGCSA-N	296.361	4.014	50	20	CIGD	
Cc1ccc(C)c(NC(=O)NNc2cccc(Cl)c2)c1	775407717	DUOOJXOXBXNVIR-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccsc2)cc1	780586716	KXDUROLHZJFEMB-UHFFFAOYSA-N	289.404	4.194	50	20	CIGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781554913	XFTGNCXBNVIPFP-LFIBNONCSA-N	283.371	4.140	50	20	CIGD	
CC[C@@H](C)C(=O)NN=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1	788426462	RCGSMZAOORWWNK-DVVUODLYSA-N	298.839	4.043	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	794874840	OOGMSZZANKLIIX-XFFZJAGNSA-N	279.742	4.391	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(CCl)c1	799894156	ZCKGKXKWMRKUKT-OQLLNIDSSA-N	275.779	4.338	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)cccc2F)cc1C	809146265	NZDMVWKTVBNUEM-ZROIWOOFSA-N	297.304	4.372	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2sccc2C)s1	44028425	HOQHKSHBTJYBNL-YRNVUSSQSA-N	273.382	4.216	50	20	CIGD	
CCC[C@H](NC=C(C#N)C#N)c1cccc(C(F)(F)F)c1	102631358	CGNBCGOFWDWXBB-AWEZNQCLSA-N	293.292	4.067	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)c1ccc([N+](=O)[O-])cc1	255133084	OMIHZPNUOXEOSY-LCYFTJDESA-N	290.278	4.405	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1	255446137	MMXPOZOQBMPZLU-LFIBNONCSA-N	285.350	4.116	50	20	CIGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(F)cc1F	735331712	OWSVTXKMQKNSFY-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)C(=O)C1CCCCC1	767712163	CDOQGJIPYMUDQY-FOWTUZBSSA-N	283.371	4.142	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1ccc(Cl)cc1F	814862203	FCZDMYRTGGSLRQ-UHFFFAOYSA-N	296.773	4.331	50	20	CIGD	
CCC(CC)Oc1ccc(C(=O)NNc2ccccc2)cc1	824113823	MGXATFMXRSGKRI-UHFFFAOYSA-N	298.386	4.011	50	20	CIGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)C(=O)OCC	917359736	OYTRRTJTVOGDNB-QBFSEMIESA-N	297.354	4.245	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	132543882	IHENMXKRJSQLIX-WQLSENKSSA-N	295.269	4.263	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(O)c2)n1	255544076	SXHDOUHEKJSGGJ-WUXMJOGZSA-N	270.357	4.036	50	20	CIGD	
CCCCCC(CCCCC)=NNC(=O)c1ccncc1	743419134	OABXUCVHZMPQRE-UHFFFAOYSA-N	289.423	4.328	50	20	CIGD	
C[C@@H](CC(=O)NNc1cccc2cnccc12)CC(C)(C)C	748767166	LSYTYYAOHQRYQT-ZDUSSCGKSA-N	299.418	4.140	50	20	CIGD	
CCc1ccc(C(=O)/C=C/c2cccc(CCl)c2)o1	799893396	XVXRDCGDSSWQEC-SOFGYWHQSA-N	274.747	4.477	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCc1csc(-c2cn[nH]c2)n1	1118978822	GLROMCYWQLFTNV-UHFFFAOYSA-N	295.484	4.055	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccco2)cc1	7208153	CRVHFWZSMAVISO-RVDMUPIBSA-N	265.312	4.022	50	20	CIGD	
CC[C@H](CBr)c1ccc(Br)cc1	49793944	NNJLCUQWTDVSQJ-MRVPVSSYSA-N	292.014	4.338	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(C2CCC2)cc1	295854919	IWKGKHBHBOMDOP-GDNBJRDFSA-N	271.335	4.178	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(F)c2cccnc12	759115916	BPWWLWALBCZVNI-LCYFTJDESA-N	296.345	4.286	50	20	CIGD	
CCC(C)(C)CC(=O)NNc1c(Cl)cccc1Cl	763624350	NEIHWTSAADCADO-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
O=C1/C(=C\c2cccc(CCl)c2)Cc2cc(F)ccc21	799891772	CIGBYGXOJQFZAO-AUWJEWJLSA-N	286.733	4.387	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814188576	OBFGPJPNGUGMJF-SNJSNHRHSA-N	297.398	4.301	50	20	CIGD	
Cc1cc(C)c(NC(=O)C2CCC(Cl)CC2)c(C)c1	1346295572	GWQOWHSZDYCEMU-UHFFFAOYSA-N	279.811	4.348	50	20	CIGD	
C[C@@H](CBr)c1cccc(C(F)(F)F)c1	84192489	ACWUBBIXPNMWKH-ZETCQYMHSA-N	267.088	4.204	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	211572518	ZAAZDQKTKLBEJJ-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CCCCCOc1c(C)cc(C(=O)Cl)cc1C	514269059	OSGSAUGKFIPSMV-UHFFFAOYSA-N	254.757	4.251	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(C)c1C	731158713	GTDIVNNJIGXRKE-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CCC[C@H]1c1ccccc1	732528691	UVYPGBDLEMBMCC-KRWDZBQOSA-N	292.382	4.049	50	20	CIGD	
CC[C@H]1CCCC(=NNC(=O)CCCc2ccccc2)C1	734979036	IQPFAIFRCBTBHK-HNNXBMFYSA-N	286.419	4.082	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761386216	OJMFJNPMWPLMHY-TWGQIWQCSA-N	287.306	4.289	50	20	CIGD	
O=C(CC1=CCCCC1)NNc1c(Cl)cccc1Cl	763615563	NKMNPSAHYNUAJC-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)C1CCCCC1	767712757	HAPCFTVDCMKWEH-ZROIWOOFSA-N	273.763	4.396	50	20	CIGD	
O=C(C[C@H]1C=CCCC1)NNc1cc(Cl)cc(Cl)c1	791738930	BIJLDJLIOXHIFD-JTQLQIEISA-N	299.201	4.183	50	20	CIGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(Cl)c(F)c1	793714098	XOTBMUBJKJYARS-AWEZNQCLSA-N	286.778	4.139	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1	794877208	IZUIJNXNBUUJOH-RAXLEYEMSA-N	297.354	4.354	50	20	CIGD	
CCC(C=NNC(=O)Cc1c[nH]c2ccccc12)(CC)CC	814748028	XORKAEDCDQKTHO-UHFFFAOYSA-N	299.418	4.029	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H](C)CC2CCCCC2)c1	1116070845	GELVRQVYENGDHW-AWEZNQCLSA-N	274.408	4.045	50	20	CIGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cccc(Cl)c1	1322861869	ZITHVUJUOSBGQW-LBPRGKRZSA-N	294.826	4.390	50	20	CIGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)c1nc2ccccc2[nH]1	171044371	BAZQTJRMIGJTIZ-BJMVGYQFSA-N	299.255	4.044	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	180435881	VLMPNEYORZKVHX-XFFZJAGNSA-N	281.327	4.133	50	20	CIGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1Cl)C(C)(C)C	752810283	HYEZAMZPLYGVCR-QMMMGPOBSA-N	289.206	4.119	50	20	CIGD	
CCN(Cc1ccc(OC)cc1)/C(=C\C#N)c1ccccc1	764198239	UHXQXOXCKQQQLB-UYRXBGFRSA-N	292.382	4.082	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)C2CCCC2)c1	769724898	JDLUOOVPHMYRTD-GDNBJRDFSA-N	285.412	4.465	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)C1CCCC1	781554585	RTHLQKSACYAION-DMAJYYCCSA-N	265.356	4.299	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(C)c1F	834438344	OVSLYBJMPDEDBS-LCYFTJDESA-N	259.324	4.046	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2cccc3c2CCC3)cc1	837055362	DRQZTNJIEXAMAL-UHFFFAOYSA-N	294.398	4.056	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1c1ccccc1	1346127167	DPWCAPAYTSOGFI-GPANFISMSA-N	291.822	4.148	50	20	CIGD	
Cc1cc2cc[nH]c2cc1NC(=O)C1CCC(Cl)CC1	1521363913	FPLOPTZBVOWFRH-UHFFFAOYSA-N	290.794	4.212	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1	8202596	OAIWPYOHUJRWNU-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
BrC[C@@]1(COCc2ccccc2)C[C@@H]2C[C@@H]2C1	299960539	JGLCFZQEWGOHAA-FICVDOATSA-N	295.220	4.014	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	726428653	BXTFVAPHDQHQKI-RGHBXIHOSA-N	284.403	4.055	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H]1c1ccsc1	750791078	CWZIZYLRTLKKER-SOWDNDCTSA-N	280.396	4.450	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	783707844	SOWCSYSIQWOQRY-SEJMYLSOSA-N	278.355	4.065	50	20	CIGD	
COC(=O)N(C)N=C(CCC(C)C)c1ccc(Cl)cc1	794961443	QUJKDRSKLWMXGW-UHFFFAOYSA-N	296.798	4.179	50	20	CIGD	
C=CCC[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccco1	857081799	IOUCMGGJTAOCLZ-UBHSHLNASA-N	298.224	4.050	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Br)s1	6209302	JVJGQDCEBUVWGF-SOFGYWHQSA-N	298.205	4.033	50	20	CIGD	
N#C/C(=C/c1ccco1)C(=O)c1cccc(C(F)(F)F)c1	33384554	XSQJWBCAHOGLOQ-FLIBITNWSA-N	291.228	4.088	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	213149288	QDHUCUJGJTZMDP-YRNVUSSQSA-N	298.169	4.244	50	20	CIGD	
C[C@@H]1CCC[C@H]1NC(=O)CCCC[C@H]1CCSS1	729447084	BDHKIAXRMHWIJI-FRRDWIJNSA-N	287.494	4.005	50	20	CIGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(Cl)c1	742516704	HRGADBKBLRBCBO-GFCCVEGCSA-N	282.815	4.390	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CCCC2CCCCC2)c1	857490399	FASDYGOZHRPQQZ-UHFFFAOYSA-N	288.435	4.497	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2)c(C)n1C1CC1	915841383	JHORTPLRVSUVMY-GZTJUZNOSA-N	290.366	4.230	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2ccccc2o1	171019323	VDZNAYUINXWOMZ-UVTDQMKNSA-N	267.328	4.345	50	20	CIGD	
CC(=NNC(=O)OC(C)(C)C)C12CC3CC(CC(C3)C1)C2	252515072	GTANDUINUCSMRJ-UHFFFAOYSA-N	292.423	4.103	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	588597572	OQTSENFCOJUJDH-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)[C@H](C)CC)cc1	726427910	ATDFIGRHFFPILP-RGHBXIHOSA-N	285.387	4.388	50	20	CIGD	
C/C=C(/C=C/C(=O)NNc1ccccc1C(F)(F)F)CC	764718226	WEGBDWOFEPINTR-VVVHQUFHSA-N	298.308	4.061	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(C)cccc1C	794954613	QVMSYYXWOGZRAB-UVTDQMKNSA-N	255.361	4.216	50	20	CIGD	
CCCN(N=C1C[C@@H](C)C[C@@H](C)C1)C(=O)OC(C)(C)C	794994977	BWLKTIITERKSPF-BETUJISGSA-N	282.428	4.446	50	20	CIGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNc2ccccc2)c1	802823625	XPKHVTBRGBYSAE-OAHLLOKOSA-N	296.414	4.132	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2ccc3c(c2)CCC3)cc1	837057729	FPZLEEITDGMQAJ-UHFFFAOYSA-N	294.398	4.056	50	20	CIGD	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1cc2ccccc2o1	72543328	IKIIMFSYYXQHBW-SXGWCWSVSA-N	298.301	4.094	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	72861577	JNDSUIQTEVLSPS-XEGJVCIASA-N	289.338	4.343	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(C#N)cs2)c1C	255198934	NMMSTKKRVREPCW-VGOFMYFVSA-N	292.363	4.027	50	20	CIGD	
CCCCc1ccc(C(=O)NNc2cccc(C)c2)cc1	727867597	NSXIDMGNRUMMLG-UHFFFAOYSA-N	282.387	4.095	50	20	CIGD	
Cc1cccc(NNC(=O)CCCCCC(C)C)c1	747934071	BOPROVNGBONEGW-UHFFFAOYSA-N	262.397	4.045	50	20	CIGD	
O=C(NNc1ccc(F)cc1)Nc1ccc2ccccc2c1	769923895	VQOIAFYYZJZXKE-UHFFFAOYSA-N	295.317	4.128	50	20	CIGD	
C=CCCCCNC(=O)CCCC[C@@H]1CCSS1	770272873	CGVZTTLKKMTTJU-CYBMUJFWSA-N	287.494	4.173	50	20	CIGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)C(C)(C)C	779220884	KGPXATDABWDEAF-FMIVXFBMSA-N	291.778	4.261	50	20	CIGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)C1CCCCC1	834430547	RLTLNLDMGUSDGP-SDQBBNPISA-N	296.292	4.090	50	20	CIGD	
C/C(=C\c1ccc(OCCCCl)cc1)c1ncccn1	905077623	ZJMNRZSKOLYBFL-OUKQBFOZSA-N	288.778	4.045	50	20	CIGD	
CC[C@@H](C)[C@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	912596245	FEWDWOAGEBFZFO-QAPCUYQASA-N	296.414	4.268	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc2ccoc12	1328084130	DECZBRUTNOHLPJ-XNTDXEJSSA-N	267.328	4.345	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccoc1C	8237965	YRLAKNOPTUASMW-WFVPKAAFSA-N	277.323	4.324	50	20	CIGD	
CC(C)CCCO[C@@H]1CCCC[C@H]1Br	50502962	NXVCKNSMCURLBB-VXGBXAGGSA-N	263.219	4.145	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1F	109143758	QTLDLHJMJJJEIZ-QPEQYQDCSA-N	259.324	4.046	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2sccc2Cl)cc1	195228950	FPLPYINEZDUKTE-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
N#C/C=C/CSc1nc(-c2ccco2)nc2ccccc12	763303077	GCXNSAKDHGUTFW-ONEGZZNKSA-N	293.351	4.062	50	20	CIGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)CC)cc1	794873028	AXARLSSHDSQUDN-SSZFMOIBSA-N	295.382	4.001	50	20	CIGD	
CCCN(N=CC[C@@H](C)CC)C(=O)OC(C)(C)C	834977289	JMEDUGCUQKTURF-LBPRGKRZSA-N	256.390	4.056	50	20	CIGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@@H]1c1ccccc1	1347936730	BDWWWLHLWWZBHL-MFNGEMCRSA-N	291.822	4.004	50	20	CIGD	
Clc1ccccc1CO[C@H]1CCC[C@H]1Br	50502812	BWKXXHYRVKGWMV-PWSUYJOCSA-N	289.600	4.173	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(O)cc1	57560050	CJNCQIZSTXNKBW-ZDUSSCGKSA-N	297.445	4.045	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1	128118989	RXGUTNCNSSKLHH-ZROIWOOFSA-N	297.379	4.245	50	20	CIGD	
CCCCOC(=O)CCCC[C@@H]1CCSS1	149872589	IPLSMGCUZAWCHN-LLVKDONJSA-N	262.440	4.044	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)o1	155168366	MQFHNXRVHSEVIK-XFXZXTDPSA-N	290.322	4.113	50	20	CIGD	
CC(C)(C)O[C@H]1CCCCCC[C@@H]1Br	158046272	RQSVPTAKWBOYJQ-QWRGUYRKSA-N	263.219	4.288	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(SC)cc1	255732369	DYVRNMNJGBTEMI-LQELWAHVSA-N	273.401	4.321	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C)c(C)c1	741468232	DNPSQGVICZQNOL-RKPNYOAGSA-N	255.361	4.216	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(F)cc(F)c2)c1C	755405092	FHTICCUEFNBXMJ-NSIKDUERSA-N	297.304	4.372	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cscc1Cl	771857328	CXPOLJGZJZNBIW-JRZFIGEHSA-N	267.781	4.314	50	20	CIGD	
Cc1csc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)c1	863156169	OPOVLWIJGMWDOG-CHWSQXEVSA-N	290.432	4.133	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1csc(Br)c1	913615377	RPBNINOESGVEOX-WTKPLQERSA-N	298.205	4.033	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	33381602	YMQIDUJLGLSQAL-FLIBITNWSA-N	281.277	4.228	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc2cc(OC)ccc2o1	160524294	CYBQCJRGIHCTKC-HLVNSREUSA-N	297.354	4.354	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2F)n1	176919469	SMCZTFSGSHFIKF-KPKJPENVSA-N	272.348	4.470	50	20	CIGD	
Cc1nc(-c2ccccc2Br)oc1CCl	238535488	QDALPOFVHFNGQW-UHFFFAOYSA-N	286.556	4.151	50	20	CIGD	
CC(C)(CBr)Cc1ccc(Br)o1	306448827	XITRXMUACRMJFS-UHFFFAOYSA-N	296.002	4.006	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(Cl)c1	794876628	GILRYQBALKPCLR-XYOKQWHBSA-N	261.752	4.252	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CC[C@H](c2ccccc2)C1	814826306	XANCDYVHXXWWQH-INIZCTEOSA-N	284.403	4.007	50	20	CIGD	
CC[C@H](CC1CCCCC1)C(=O)N(C)CC(Cl)Cl	819843260	IJWJAPOLECIVBQ-GFCCVEGCSA-N	294.266	4.245	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(F)c1F	853002219	IYWBMCQILNYAJN-YFHOEESVSA-N	281.277	4.016	50	20	CIGD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1C=C(C#N)C#N	26432416	PKYHDOAAOOUWPN-UHFFFAOYSA-N	296.761	4.080	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(C#N)s2)c1	176406805	UTZDNCGUTKLVIN-RIYZIHGNSA-N	292.363	4.027	50	20	CIGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(Cl)cc1	287868332	FHTPGWBFQZGFHQ-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)ccc2F)cc1	588467777	YZAYEKPUBPCYNK-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)c1cnc2ccccc2n1	588580351	FULLGOSKIPCQJH-LCYFTJDESA-N	291.741	4.347	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1C	588597298	HVBMHYNJURFPFJ-SXGWCWSVSA-N	296.345	4.054	50	20	CIGD	
Cc1cc(C)c(NNC(=O)CCCC2CCCC2)c(C)c1	743761686	MUMYVVCXEHPGKE-UHFFFAOYSA-N	288.435	4.415	50	20	CIGD	
Cc1cccc(NC(=O)[C@H](Br)C(C)(C)C)c1C	781066860	QDFCOVOXOFMHFL-LBPRGKRZSA-N	298.224	4.052	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	794952904	JYYFWSWVSDQTJR-RKOYKYSNSA-N	289.325	4.433	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2C(C)C)c1	830791791	NQAKPROEUKZGPQ-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)c1nc(C)c(C)s1	125427096	HEFWBJBMYJGBTL-WDZFZDKYSA-N	260.387	4.194	50	20	CIGD	
CCCN(C(=O)CCCC[C@H]1CCSS1)C1CC1	171557751	JFGBPPFHYMTLLQ-ZDUSSCGKSA-N	287.494	4.102	50	20	CIGD	
CC(C)c1ccc([C@](C)(F)CBr)cc1	409425622	AVUCGPXQORELJH-GFCCVEGCSA-N	259.162	4.390	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1cccc(F)c1	588597299	FZMFPKRGBGYZHJ-GDNBJRDFSA-N	295.313	4.014	50	20	CIGD	
C[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)C(C)(C)C	780803917	RONYHQHXTSQUOB-LBPRGKRZSA-N	276.424	4.109	50	20	CIGD	
Cc1ccc(NNC(=O)CC2CC(c3ccccc3)C2)cc1	799098642	SOFIJCAPINNEFR-UHFFFAOYSA-N	294.398	4.022	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)s1	809145550	ADBGVOFGTXGWHR-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccccc1Cl	1342845026	YDZCWJVFEUTZQX-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
N#C/C(=C\c1ccsc1)C(=O)c1c[nH]c2ccccc12	23217999	BUVQFAOFJOXDSE-KPKJPENVSA-N	278.336	4.019	50	20	CIGD	
CC(=NNC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2	252614392	JIOHJYFXZZRNLE-UHFFFAOYSA-N	296.414	4.009	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)s1	731156963	QAFQDQPEUFBJDK-XFXZXTDPSA-N	285.343	4.239	50	20	CIGD	
Cc1ccccc1NNC(=O)[C@H]1CCC[C@H]1c1ccccc1	824114446	WRMLRGGYOIHGPV-IRXDYDNUSA-N	294.398	4.022	50	20	CIGD	
Br[C@@H]1CCCCC[C@H]1OC1CCCC1	50502660	ZYAXGXALVLOEPN-VXGBXAGGSA-N	261.203	4.042	50	20	CIGD	
Cc1ccoc1C(=O)NN(c1ccccc1)c1ccccc1	302804658	SGGZJHKDTMCKDT-UHFFFAOYSA-N	292.338	4.071	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1cccc(F)c1	588597252	FSMHFLMSIMBNHM-YFHOEESVSA-N	291.734	4.330	50	20	CIGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)C1CCCC1	790100609	PYEIROGMAQVILX-BOPFTXTBSA-N	295.382	4.142	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc(O)cc1	799889826	SYALSRJYDZQMSG-WTKPLQERSA-N	272.731	4.027	50	20	CIGD	
CS[C@@H](C)CCC(=O)NNc1c(C)cccc1C(C)C	812765697	RLUNRHFPQBZGDU-ZDUSSCGKSA-N	294.464	4.093	50	20	CIGD	
Cc1cc(Cl)ccc1NNC(=O)c1occc1C(C)C	928337041	IDVRKKUHLYBABN-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	726430344	YCTWRXRRMLHPJZ-LKKYZFDUSA-N	293.366	4.371	50	20	CIGD	
CCCCC(CC)=NNC(=O)CCCc1ccccc1	732924600	AALFKWMJRFWAGC-UHFFFAOYSA-N	274.408	4.082	50	20	CIGD	
CCC(=NNC(=O)c1c[nH]c2ccccc12)C1CCCCC1	750918600	WOJYYUXZTNKETR-UHFFFAOYSA-N	297.402	4.244	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761387957	ZYAVCEZGORVGQV-WEVVVXLNSA-N	286.133	4.265	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1sccc1Br	764889811	WPHWETXRXBVDQR-SOFGYWHQSA-N	298.205	4.033	50	20	CIGD	
CCC(CC)[C@H](C)C(=O)NNc1nc2ccccc2cc1C	777482772	QSAMENDTEFWJSX-ZDUSSCGKSA-N	299.418	4.059	50	20	CIGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccccc1F	779757592	HRXQMPVYHGMSQO-GFCCVEGCSA-N	278.371	4.004	50	20	CIGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(Cl)cc1Cl	780661137	HEGIXYRZPIZOFO-DTWKUNHWSA-N	289.206	4.119	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)c1cccc(C)c1	799756956	OHSJNODVTNIYKR-OAHLLOKOSA-N	296.414	4.113	50	20	CIGD	
N#C/C(=C/c1ccsc1)C(=O)c1ccc(F)c(Cl)c1	179606302	JQAJIOGPONLTOZ-WZUFQYTHSA-N	291.734	4.330	50	20	CIGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1c[nH]c2ccccc12	748243696	AUIXTJNSMXWMIP-GFCCVEGCSA-N	297.402	4.100	50	20	CIGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)c1ccccc1	776721058	CHJSRBZUTGHOLR-AWNIVKPZSA-N	285.705	4.269	50	20	CIGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(Cl)cc1Cl	785612198	IIGNDZGTBSVVQL-CYBMUJFWSA-N	287.190	4.039	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2sccc2Cl)c(C)c1	802829787	XLVUBRWYFIBKJQ-UHFFFAOYSA-N	294.807	4.084	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)c2ccsc2)cc1	837054809	WQYCCOCAXLLEIE-LBPRGKRZSA-N	288.416	4.118	50	20	CIGD	
Cc1cccc(C(=O)NNc2ccc(C(C)C)cc2)c1C	837058383	NSIMWNDVVNVONV-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2cccc(C3CC3)c2)cc1	848210939	ZZASWQKMCXBDLW-UHFFFAOYSA-N	294.398	4.444	50	20	CIGD	
N#C/C(=C\c1c(F)ccc(F)c1Cl)C(=O)C1CCCC1	863188438	VFWRXDCBEXTCNX-JXMROGBWSA-N	295.716	4.284	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccnc2ccccc12	905073018	CRXFNXJENDXHKA-SDNWHVSQSA-N	278.355	4.147	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)c1nc2ccccc2[nH]1	33893168	RBPZDAVCIIYDSK-UVTDQMKNSA-N	273.339	4.244	50	20	CIGD	
CC(C)C1CCC(CBr)(OCC2CC2)CC1	50480139	DLKZPRGSWLRTLV-UHFFFAOYSA-N	289.257	4.393	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C#N)s2)n1	255286290	VFSDKHVEEVLRJX-YHYXMXQVSA-N	285.397	4.264	50	20	CIGD	
Cn1c(/C(C#N)=C/c2cc(Cl)cs2)nc2ccccc21	588600894	UZQICEZDZMGCCR-UXBLZVDNSA-N	299.786	4.352	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761378377	ZDFKMGSYMPELGV-SOFGYWHQSA-N	287.306	4.289	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)c1ccoc1	798230309	OYHVUOKQWJETFI-WZUFQYTHSA-N	292.121	4.376	50	20	CIGD	
N#C/C(=C/c1csc2ccccc12)C(=O)c1ccco1	810209531	HBCOPHMWZWUHBW-FLIBITNWSA-N	279.320	4.284	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)c1nc(C2CC2)cs1	866009311	YPPUUJSOLQGFEH-ZSOIEALJSA-N	266.369	4.393	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(F)n2)s1	901509636	YLLYKHIDGUHQNA-JXMROGBWSA-N	287.363	4.039	50	20	CIGD	
Fc1c(CBr)cccc1-c1ccccc1	59566012	LURODPZMEGZNJH-UHFFFAOYSA-N	265.125	4.388	50	20	CIGD	
Fc1ccccc1COC1(CBr)CCCC1	68954056	XVTFKXKNJKIKQV-UHFFFAOYSA-N	287.172	4.050	50	20	CIGD	
C[C@@H]1CCC(=NNC(=O)c2cccc3ccccc23)C[C@H]1C	767381538	ZDPWHGVDKFMCNN-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
N#C/C(=C/c1ccc(C#N)cc1F)c1ccc2ccccc2n1	772804244	CLNBKXZYFWNNDQ-YBEGLDIGSA-N	299.308	4.310	50	20	CIGD	
CSc1cc(/C(C#N)=C/c2ccccc2C2CC2)ncn1	773176801	OSTMNVGOEHPQBG-RIYZIHGNSA-N	293.395	4.140	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)Nc2cc(C)cc(C)c2)c1	775372954	AVTNLSJNDAOBJB-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
CCc1ccc(NC(=O)NNc2cc(C)ccc2C)cc1	775373109	FGQRCKZOSUMGFO-UHFFFAOYSA-N	283.375	4.014	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)n(C2CC2)c1C	794874829	OLTQKBGNLKNOSR-GDNBJRDFSA-N	284.403	4.352	50	20	CIGD	
CCCN(N=C(C)Cc1cccs1)C(=O)OC(C)(C)C	794995722	MXFWMFJIRJBWNU-UHFFFAOYSA-N	296.436	4.314	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)c1ccco1	8200372	NXBIPAHQNZKYFL-UXBLZVDNSA-N	292.121	4.376	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)s1	731156400	DKSPDXSZAUJAGT-RAXLEYEMSA-N	297.379	4.109	50	20	CIGD	
CCCCCC[C@@](C)(CC)C(=O)NNc1ccnc(F)c1	781359134	CNBWNPLSHWFZRL-MRXNPFEDSA-N	295.402	4.051	50	20	CIGD	
C=CCCCCCC(C)=NNC(=O)c1ccccc1C	788977570	QXGXJLVERZJHID-UHFFFAOYSA-N	272.392	4.237	50	20	CIGD	
C#CCC[C@H](C)OC(=O)CCCC[C@@H]1CCSS1	839033859	JWHCNOQSABWTNE-QWHCGFSZSA-N	286.462	4.046	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F	17699987	XVLZSTDFZCXVQR-DHZHZOJOSA-N	297.276	4.107	50	20	CIGD	
CCCc1sc(C(=O)NNc2ccccc2)cc1CC	70716183	IWVVVOVUDKRXOM-UHFFFAOYSA-N	288.416	4.020	50	20	CIGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)Nc1ccccc1	209996150	FCSBRXFMHUSMJN-AQTBWJFISA-N	298.345	4.385	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)C1CCCC1	781556525	YXGYUWIKGNYOGD-YHYXMXQVSA-N	265.765	4.068	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C=C(C1CC1)C1CC1	812766764	WPRKHHFJMJEHIX-UHFFFAOYSA-N	298.430	4.308	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(C#N)CCCCC1	812768908	MPLXQQIJCPAUBZ-UHFFFAOYSA-N	299.418	4.036	50	20	CIGD	
CC[C@@H](C)c1ccc(NC(=N)NCCSSC)cc1	849003353	HWLKRRQZTDDPKM-LLVKDONJSA-N	297.493	4.148	50	20	CIGD	
CC(CCC(C)C)=NNC(=O)CSc1ccc(C)cc1	916345665	LFDIQGFUNPQMHK-UHFFFAOYSA-N	292.448	4.015	50	20	CIGD	
Cc1ccc(CCCCC(=O)NNc2cccc(C)c2)cc1	731784446	SNEIULMRWKITOY-UHFFFAOYSA-N	296.414	4.160	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)cc3F)[nH]c12	735618515	BCSGPTUXOQCFIZ-GHXNOFRVSA-N	295.292	4.214	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776721211	ZUJZYMALDCUEQI-WCIBSUBMSA-N	279.742	4.391	50	20	CIGD	
C[C@@H]1CC[C@@H](C=NNC(=O)c2ccc(Cl)cc2Cl)C1	800808091	FQCSJUPTBQZJPJ-NXEZZACHSA-N	299.201	4.145	50	20	CIGD	
C=C[C@@](C)(CC)C(=O)NNc1c(C)cccc1C(C)C	812768638	ZNWIJTGIEATPEG-KRWDZBQOSA-N	274.408	4.164	50	20	CIGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)c1cccc(Cl)c1	14180674	QOUHWQKHKBOFNG-OVCLIPMQSA-N	292.725	4.002	50	20	CIGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2occc2C)c(C)c1	490662517	BJTHZZNQBTXNCO-OQLLNIDSSA-N	294.354	4.059	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Cl)cc1F	588541321	COXAIRYZCXQCST-WDZFZDKYSA-N	265.715	4.001	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(F)c2F)c1	730729647	LBHSJGUCISGNNH-DHDCSXOGSA-N	297.304	4.372	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1F	774559389	POTZQZMRQPMLLG-DHDCSXOGSA-N	296.301	4.415	50	20	CIGD	
CC[C@@H](C)O[C@@H](CBr)c1cccc(F)c1	50480068	OSUBHMHHPYDFBX-SKDRFNHKSA-N	275.161	4.077	50	20	CIGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)c1ccccn1	96316163	UBOUKYGNYXTWEC-GXDHUFHOSA-N	289.363	4.269	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1F	741474930	UHJXWDVOYAGIKM-AWNIVKPZSA-N	272.348	4.272	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)OCC1CCC1	744198275	LVLOADGLKUZKSK-GFCCVEGCSA-N	274.451	4.044	50	20	CIGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNc2ccccc2)c1	762237636	UOEXCYQKLZJFCL-CYBMUJFWSA-N	299.374	4.013	50	20	CIGD	
CCCCC[C@](C)(CC)C(=O)NNc1ccccc1	780948570	OSAVQHMAEWYVFI-INIZCTEOSA-N	262.397	4.126	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCCC2)C(=O)c1ccsc1	792870670	ANZVZNUPHOICCS-LICLKQGHSA-N	293.391	4.417	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1cn(C)c2ccccc12	834932317	AHLGFYSDDQNOCN-UHFFFAOYSA-N	297.402	4.030	50	20	CIGD	
C=CCN(C(=O)CCCC[C@@H]1CCSS1)C(C)C	918701539	WKIUVLSKZGBBAV-CYBMUJFWSA-N	287.494	4.124	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c(C)c1	213512701	GCGSHWIOQNISAJ-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
C[C@H](CBr)CN1CCCC[C@@H]1c1ccccc1	770669576	ZQKQADQEHGOMJK-UKRRQHHQSA-N	296.252	4.245	50	20	CIGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc(C)cc1	776222197	IGYWOEWQFYIAIJ-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	777920294	MPMYXNGLUQZEIL-NVNXTCNLSA-N	296.301	4.415	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)(F)F)[nH]1)C(=O)C1CCCCC1	905072986	GVKWBTRARBZJGA-DHZHZOJOSA-N	296.292	4.090	50	20	CIGD	
CC[C@H](CCl)Cc1ccc(Br)s1	85045192	LCODVRXVSZATTL-ZETCQYMHSA-N	267.619	4.318	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1ccsc1	195227988	DHTDZPIZPMRWRQ-YCRREMRBSA-N	279.773	4.253	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)[C@@H](c2ccccc2)C(C)C)c1	748413357	XOYFMVBWMGTGMN-GOSISDBHSA-N	296.414	4.186	50	20	CIGD	
CCC(=NNC(=O)c1ccccc1C)C1CCCCC1	750934495	FHICLXPHCBDDHX-UHFFFAOYSA-N	272.392	4.071	50	20	CIGD	
CSc1cc(/C(C#N)=C/c2ccc(C(C)C)cc2)ncn1	773176072	IVUGTZZZYWUAFE-OVCLIPMQSA-N	295.411	4.386	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1cccc(F)c1	794692887	YCUXMYFPQQXRRI-DHDCSXOGSA-N	291.281	4.362	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(C)c1C	1116015016	DMQZTMUHOCTVDB-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2c(F)cccc2F)sc1C	741473275	GQZGTJVUZIKKTB-UXBLZVDNSA-N	276.311	4.102	50	20	CIGD	
CC(C)(C)[C@H]1CCCC(=NNC(=O)CC(F)(F)F)CC1	746563517	BFAQXFFCSMCYTP-JTQLQIEISA-N	292.345	4.037	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1c[nH]c2ccccc12	748245336	XWLWJJXQYMFDGI-LBPRGKRZSA-N	285.391	4.100	50	20	CIGD	
CCc1ccc([C@H](C)C(=O)NNc2cc(C)ccc2C)cc1	748400647	JKUNVFDDVCVCHL-HNNXBMFYSA-N	296.414	4.113	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(Cl)nc2)c1	748997109	FIQQQUGKURQXMQ-NVNXTCNLSA-N	296.757	4.142	50	20	CIGD	
CC1(C)CCCC1=NNC(=O)c1cccc2ccccc12	749859829	UFOSRWWWCCWNOG-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CC[C@H](C)c2ccccc2)c1	750423884	LDPKHTNHVWVDNW-HNNXBMFYSA-N	296.414	4.330	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1Cl	766289415	IIBHVJFTOSAICE-QPEQYQDCSA-N	261.752	4.171	50	20	CIGD	
Cc1cccc(NNC(=O)[C@H](C)CCCc2ccccc2)c1	776222036	CVQGBEYVJXFPFV-MRXNPFEDSA-N	296.414	4.097	50	20	CIGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(Cl)cc1Cl	780661139	HEGIXYRZPIZOFO-RKDXNWHRSA-N	289.206	4.119	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(Cl)s1	14180583	AIUJZOXEFDDYMB-PKNBQFBNSA-N	296.823	4.005	50	20	CIGD	
CC(C)C[C@H](C)O[C@H]1CCCC[C@@H]1Br	50502700	AOBVUFNVRIVAJE-SRVKXCTJSA-N	263.219	4.144	50	20	CIGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1c(Cl)cccc1Cl	727779232	SIBPXMVDHQTWHT-SECBINFHSA-N	299.201	4.311	50	20	CIGD	
CCOC(=O)/C(C#N)=C\c1cccc(-c2ccccc2C)c1	729674785	MFNVGMOZQUPAQA-ATVHPVEESA-N	291.350	4.132	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCCC2)ccc1F	767713408	JTSFOLDQASCGAF-XNTDXEJSSA-N	271.335	4.191	50	20	CIGD	
Cc1ccc([C@@H]2CCCN2C[C@@H](C)CBr)cc1	770645768	STSAZXJJDJPUDP-ZFWWWQNUSA-N	296.252	4.163	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	772797921	REQCANZJXWKXMI-AXNBSVLLSA-N	299.267	4.367	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1cccc(O)c1	799890547	PVCSVPORNYSIRK-BQYQJAHWSA-N	272.731	4.027	50	20	CIGD	
COCc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843263711	DPWMDWDEWVGODW-NVNXTCNLSA-N	296.395	4.231	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1C	1317868733	SEGNFEGXFWXQIT-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
CC(C)CCO[C@@]1(CBr)CCC[C@@H](C)C1	71125334	MSCKEERKBORHRI-OLZOCXBDSA-N	277.246	4.393	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1	191353996	FUPKNFXBMHQYMP-XNTDXEJSSA-N	271.323	4.002	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccco1	212646872	WEKZSZDMBXUEFH-KXIMDHCPSA-N	263.296	4.016	50	20	CIGD	
Cc1ccccc1C(=O)NNc1cc(Cl)ccc1Cl	752812995	ODVXQMOAHINXOX-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	764890747	ANIIEMJMXHYOBW-PDGQHHTCSA-N	275.351	4.347	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)cc1	764917473	VAZWSMBDPFKRBJ-LIWRYJIKSA-N	291.325	4.480	50	20	CIGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1cc(Cl)ccc1Cl	780599336	BGKZTAPSOITHGO-DTWKUNHWSA-N	289.206	4.119	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1cccc2ccccc12	786667817	AZAKETMCDHAZES-YYTPVVGHSA-N	291.350	4.304	50	20	CIGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(Cl)c(F)c1	793714099	XOTBMUBJKJYARS-CQSZACIVSA-N	286.778	4.139	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1coc2ccccc12	794875229	RVGOMNOCFOFBJF-XFXZXTDPSA-N	267.328	4.345	50	20	CIGD	
CC(C)CCCNC(=O)CCCC[C@@H]1CCSS1	914495187	MCVDQJQZGFUYBB-CYBMUJFWSA-N	289.510	4.253	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	44027274	YIMQOCDBKCMGND-XFXZXTDPSA-N	283.302	4.218	50	20	CIGD	
N#CC(C#N)=Cc1ccc(Sc2ccccc2)cc1	124650934	ANXXBILRODRGRJ-UHFFFAOYSA-N	262.337	4.268	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)c1ccc2c(c1)CCC=C2	764114542	GTBBPCBICKQAQY-UHFFFAOYSA-N	298.773	4.056	50	20	CIGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1ccc2ccccc2c1	766009772	IVPKLHQNCYWETN-ZDUSSCGKSA-N	294.398	4.382	50	20	CIGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ccc(C(C)(C)C)cc2)C1	780806410	PLUMNBGRTFTWMK-MNWMYKRDSA-N	286.419	4.174	50	20	CIGD	
Cc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791715328	QQOACZBLGCFDBB-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(SC)cc1	794951558	FSTRUQZSWWBXDL-JLHYYAGUSA-N	273.401	4.321	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(C)o1	162488651	SAQDRLZUOBFECR-ZSOIEALJSA-N	290.322	4.168	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C)c2)cc1	184837233	MYGQQZFWGBPZFN-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)c1cnc2ccccc2n1	588580102	AXESTKBOQATJRJ-ZROIWOOFSA-N	289.313	4.142	50	20	CIGD	
C=C(CBr)CN1CCCC[C@H]1c1ccccc1	791494477	SEBNAIOOOIPJLL-HNNXBMFYSA-N	294.236	4.165	50	20	CIGD	
O=C1/C(=C/c2cccc(CCl)c2)COc2ccccc21	799888195	BHEMXAJWDYQRSB-NTEUORMPSA-N	284.742	4.084	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)cc2ccccc12	834398442	JMGFLLQQULAAOM-GDNBJRDFSA-N	293.366	4.371	50	20	CIGD	
CC[C@H](C)C(=O)NN=Cc1ccccc1-c1ccccc1C	834943319	UMPZEJABOQQQPB-AWEZNQCLSA-N	294.398	4.158	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CC[C@@H]2CCCC[C@H]2C1	916361350	YUMXOZKCYVVHGE-GJZGRUSLSA-N	284.403	4.071	50	20	CIGD	
CCCCO[C@@H](CBr)c1ccccc1C	50479819	FDVPFABCHYGLQU-ZDUSSCGKSA-N	271.198	4.248	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	120848425	NQYWTKLDNHMPOM-DHDCSXOGSA-N	295.338	4.165	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cncs2)cc1	129961263	GSOZPJQCEFAQDJ-MDWZMJQESA-N	296.395	4.230	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(F)cccc1Cl	726594346	JRFWVULVEQVJDR-HZAKCSEPSA-N	265.715	4.001	50	20	CIGD	
CC[C@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	727734249	LMYCKTDEDUHOSA-QWHCGFSZSA-N	287.494	4.102	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccccc1C1CC1	750818342	SYGQPIDEFXQLDS-GDNBJRDFSA-N	277.323	4.255	50	20	CIGD	
CC(C)(C)c1ccccc1NC(=O)NNc1ccccc1	762238083	SAOYHDMKDBXGOX-UHFFFAOYSA-N	283.375	4.133	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)c2ccoc2C)c1	773910716	ZMOGQAVQPXBNNY-LFIBNONCSA-N	279.339	4.330	50	20	CIGD	
COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)cc1	789128404	SWHNGYKBPYWGLP-GDNBJRDFSA-N	297.741	4.087	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	794873983	ILHNPXQQIVLEHE-XNTDXEJSSA-N	285.387	4.386	50	20	CIGD	
CCCN(N=C(C)c1ccc(C)s1)C(=O)OC(C)(C)C	794996554	SVSNQPKFLLMVCT-UHFFFAOYSA-N	296.436	4.428	50	20	CIGD	
CS[C@H](C)CCC(=O)NNc1c(C)cccc1C(C)C	812765696	RLUNRHFPQBZGDU-CYBMUJFWSA-N	294.464	4.093	50	20	CIGD	
C(CC[C@H]1CCSS1)Cc1nnc(C2CCC2)o1	1255189066	PWPIADCPYBUDQV-NSHDSACASA-N	284.450	4.204	50	20	CIGD	
CCc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1CC	1320057782	FQTBIMKNPQXVGG-UHFFFAOYSA-N	296.414	4.185	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc2ccoc12	1347926816	OOKNVCCDLKTEOW-GXDHUFHOSA-N	267.328	4.345	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1C	731155821	UPOBUMSQFZWWBN-WJDWOHSUSA-N	287.366	4.254	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)C(CC)CC)s1	731159394	PZVVQZUYGLRLQD-FMIVXFBMSA-N	261.390	4.223	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2ccc(C(C)C)cc2)c(C)c1	743761554	JQUMHFRBCILJFO-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1	756746432	ZRNBIYHCRSREQK-OWCLPIDISA-N	286.419	4.045	50	20	CIGD	
O=C(NN=C1CCCCC12CCCC2)c1ccccc1F	814699254	AHMVFXCIOCMZAS-UHFFFAOYSA-N	288.366	4.046	50	20	CIGD	
CC(=NNC(=O)c1cc2ccccc2o1)[C@@H]1CCCC[C@H]1C	834964011	IOAQAJATIKJEJK-IUODEOHRSA-N	298.386	4.365	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	3616005	SYPBWXWYQBUFKW-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)O[C@H]1C=CCCC1	733412287	QCQRKOBJAOGKEN-STQMWFEESA-N	286.462	4.352	50	20	CIGD	
Cc1ccoc1C(=O)/C=C/c1cccc(CCl)c1	799892389	OXZSDJVQBUVFNE-AATRIKPKSA-N	260.720	4.223	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C#N)s2)cc1C	809145864	IFERPGKJOTUZSM-RIYZIHGNSA-N	292.363	4.027	50	20	CIGD	
CCc1cccc2cc(/C=C(/C#N)C(=O)C(C)C)oc12	849178680	IVQOBVRZQFWGDX-ZROIWOOFSA-N	267.328	4.127	50	20	CIGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)c2ccccc2)c1	921262755	YIDBBVWEAPHLTK-BOPFTXTBSA-N	291.350	4.264	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1	921266283	XBDDTYZBYLFIRK-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1c(F)cccc1Cl	255638748	JVHRZMJLTSVZFN-YFHOEESVSA-N	265.715	4.001	50	20	CIGD	
CC(C)Cc1[nH]nc(C2CCCC2)c1CCCl	409440716	OEKNQRJMWVZFEQ-UHFFFAOYSA-N	254.805	4.047	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2s1	758418865	SCIFHNCHDHCUTA-GJSJWPQCSA-N	269.369	4.423	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cnc1Cl	760264832	OMHOIUFRWAEABX-NTUHNPAUSA-N	299.717	4.016	50	20	CIGD	
CC[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc(Cl)cc1	786676670	AKZVWURJALJESG-BMQCOBNYSA-N	289.762	4.194	50	20	CIGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)C(C)C)o2)cc1	915989814	FIQZMYFHBRYGCE-GDNBJRDFSA-N	279.339	4.387	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1ccccc1Cl	1261278069	VNOOAOWLEKFXMI-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
ClCC1(Cc2cc(Br)cs2)CC1	85043291	PKTRQBVHMAGHBS-UHFFFAOYSA-N	265.603	4.072	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1cccc(F)c1	194533751	FZMFPKRGBGYZHJ-XNTDXEJSSA-N	295.313	4.014	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1c(CC)oc2ccccc12	212635680	ZKBKHSLMBJMWTF-QBFSEMIESA-N	297.354	4.245	50	20	CIGD	
C[C@@H]1CCC[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	729447087	BDHKIAXRMHWIJI-UPJWGTAASA-N	287.494	4.005	50	20	CIGD	
CC(C)(C)[C@@H](NC(=O)NNc1ccccc1)c1ccccc1	734267717	BASVBGZLBYDGGN-INIZCTEOSA-N	297.402	4.100	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(\C#N)c1ccccn1	788730653	CKZORSDTQVKXBD-JLHYYAGUSA-N	268.747	4.362	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2cc1OC	834421336	QAIPOTZKVXXGSO-NWRYFCBHSA-N	293.366	4.371	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccsc2)ccc1Cl	588409916	DUGWKGYIBYEAEC-QPEQYQDCSA-N	287.771	4.500	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc2ccccc2c1	726428751	PJFIIHFRSGUKAS-HNEYUBDGSA-N	263.340	4.362	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)OC1CCCCC1	780005006	QQYMUYAYRYPVFN-CSKARUKUSA-N	295.791	4.184	50	20	CIGD	
C=C(CBr)CN(Cc1ccccc1)C(C)(C)C	791470193	AZXDPRINJKOMDC-UHFFFAOYSA-N	296.252	4.238	50	20	CIGD	
CC/C=C(/C)C(=O)NN(Cc1ccccc1)c1ccccc1	918541247	QMHNKGNQILNMCL-YBEGLDIGSA-N	294.398	4.081	50	20	CIGD	
CCC(C=NNC(=O)c1ccccc1Cl)(CC)CC	1117739988	WLVZADPNZKGPCR-UHFFFAOYSA-N	280.799	4.272	50	20	CIGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3ccncn3)o2)cc1	758917734	ZNSZKZNAZDTZIY-XNTDXEJSSA-N	287.322	4.109	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)C(=O)C1CCCC1	781555349	HEPRJYHRYXNHFJ-LCYFTJDESA-N	259.736	4.006	50	20	CIGD	
CCCN(CCC)C(=O)CCCC[C@@H]1CCSS1	101653164	YTOWOFGIOMWVQQ-CYBMUJFWSA-N	289.510	4.349	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ncccc1C(F)(F)F	119632720	KANJBGAXJKRBEU-DHZHZOJOSA-N	296.292	4.013	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(C)cccc1C	120702706	HBSXMEQYCXTQPY-LFIBNONCSA-N	290.366	4.158	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)cs2)cc1	195228916	PUNKLNQVNUJYLE-SDQBBNPISA-N	287.771	4.500	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccccc2)c1C	254972646	UWTVEAZPBLXJSA-LFIBNONCSA-N	261.324	4.093	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1C	741474967	UOMFKZWQTGOXLV-KNGSKEOJSA-N	255.361	4.216	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H]1c1cccs1	750600526	ZOMBOJUFZMSCMK-AAGJOFLKSA-N	280.396	4.450	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1sccc1Br	764889831	WPHWETXRXBVDQR-VURMDHGXSA-N	298.205	4.033	50	20	CIGD	
CCCN(N=C[C@@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C	794993512	YELIHFCJUHEFKQ-KBPBESRZSA-N	282.428	4.446	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)c1ccccc1	812767969	YNFNGGDCQMQJLD-OAHLLOKOSA-N	296.414	4.365	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)OC1CCCC1	920125452	AUFJQFNKQIPRAF-GFCCVEGCSA-N	274.451	4.186	50	20	CIGD	
C/C(=C\c1cnn(CCCl)c1)c1ccc2ccccc2n1	1116936171	WTVMFVXUBZXRTK-JLHYYAGUSA-N	297.789	4.231	50	20	CIGD	
Cc1ccncc1NC(=O)CCCC[C@@H]1CCSS1	104452464	XAQYFRGFAPZTAH-GFCCVEGCSA-N	296.461	4.043	50	20	CIGD	
CC[C@@H](CC(=O)NNc1ccc(C)cc1)c1ccccc1	158904174	GRBUGPRHMWVAIY-HNNXBMFYSA-N	282.387	4.022	50	20	CIGD	
CCCCCC[C@@H](C)CC(=O)NNc1ccccc1	732265510	IZFNREJBXVXEMP-CQSZACIVSA-N	262.397	4.126	50	20	CIGD	
CC[C@H](CC(=O)NCCSSC)c1ccc(C)cc1	791099394	GRDBNQHZBPQFAH-CYBMUJFWSA-N	297.489	4.006	50	20	CIGD	
N#C/C(=C\c1cscc1C(F)(F)F)c1ccccn1	811627613	VSZUINDZNWDOPG-WEVVVXLNSA-N	280.274	4.226	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(O)c2)cc1	7208167	ZRHJIQMHTFBWMP-GZTJUZNOSA-N	291.350	4.135	50	20	CIGD	
CC[C@H](C)O[C@@]1(CBr)CCC[C@@H](C)C1	227684000	OIBUDGGIHNMSTR-WOPDTQHZSA-N	263.219	4.145	50	20	CIGD	
C[C@@H](C=NN(C)C(=O)OC(C)(C)C)c1cccc(Cl)c1	494300602	VBBPVGORPXJQEH-NSHDSACASA-N	296.798	4.296	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1C	731156852	NVENNDCXUACOGP-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)ccc1C	794874466	LPALFULFFVTXOI-JYRVWZFOSA-N	259.324	4.046	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc(C3CC3)n2)cc1	154290697	WFKAFXXHXWMQCM-RIYZIHGNSA-N	294.379	4.119	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Cl)cc2C)c1	159261067	HOMLZWCBXKGBIH-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CC1(C)CCC[C@](OC(=O)Cl)(C(F)(F)F)C1	716356138	OYRMYYKEFICWCY-SECBINFHSA-N	258.667	4.263	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(F)c3)[nH]c12	735619736	QKIBFBDITXGQKH-JYRVWZFOSA-N	277.302	4.075	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	756744378	HPZYFRXQVBOJOG-HRCADAONSA-N	286.419	4.045	50	20	CIGD	
CC(C)C(C)(C)C(=O)NNc1cc(Cl)ccc1Cl	784447342	UJEBNUNBFBCFOK-UHFFFAOYSA-N	289.206	4.119	50	20	CIGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)c1ccoc1	806557179	NUJUIDDDJFEWEK-FPYGCLRLSA-N	298.150	4.438	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@@H]2CCCC[C@@H]2C)cc1Cl	1318013817	WKQGRJGKBHFSLV-AAEUAGOBSA-N	294.826	4.308	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(F)c(F)c1	7713932	QJJHHBKRLIXYCD-MDWZMJQESA-N	283.277	4.063	50	20	CIGD	
CCCCOc1ccccc1/C=C(/C#N)c1ccccn1	163335306	IWNAACGSILGPFK-SSZFMOIBSA-N	278.355	4.325	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2sccc2C)c1	172215473	YRZRTXTVQSBWNV-MDWZMJQESA-N	285.343	4.294	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	726876019	CHECZZFNTJSSQK-UKTHLTGXSA-N	296.395	4.332	50	20	CIGD	
Cc1cc(C)c(NNC(=O)CC2CCCCC2)c(C)c1	743763269	DRTMKDSJZBWYIQ-UHFFFAOYSA-N	274.408	4.025	50	20	CIGD	
CCCn1c(SC/C=C/C#N)nc2cc(Cl)ccc21	763299512	WDYXYBUOBAWJOF-ONEGZZNKSA-N	291.807	4.272	50	20	CIGD	
CC(C)c1nccn1CCO[Si](C)(C)C(C)(C)C	821083952	DPJIRIUOWRGULQ-UHFFFAOYSA-N	268.477	4.028	50	20	CIGD	
Cc1ccccc1[C@@H](CBr)OC1CCC1	52146908	IHNNCCMZEHPMQT-CYBMUJFWSA-N	269.182	4.000	50	20	CIGD	
CCc1ccc(CC(C)(C)CBr)cc1	85050339	NLERPLDXEGOPBT-UHFFFAOYSA-N	255.199	4.213	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ncccc1C(F)(F)F	119630064	JDHNJYYMRPTIPA-JXMROGBWSA-N	296.292	4.013	50	20	CIGD	
CCc1oc2ccccc2c1C(=O)NNc1cccc(C)c1	129796276	XXHFISPCJNRUFP-UHFFFAOYSA-N	294.354	4.061	50	20	CIGD	
Cc1ncccc1/C=C(\C#N)c1nc(C(C)C)cs1	176917232	XWNVVFUXPYFTRC-NTUHNPAUSA-N	269.373	4.034	50	20	CIGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)C(C)(C)C)c1	255741959	WCFLCMQSEGDUSG-WQLSENKSSA-N	293.313	4.119	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	726428447	MDLGITSBLCQGCL-ZDIKFAODSA-N	281.277	4.228	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	753683506	RRWJYAOLKRORCO-ISAHRAOESA-N	265.715	4.001	50	20	CIGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)c2ccccc2)s1	758416167	PPFKNEYYFQPTOC-MDWZMJQESA-N	282.368	4.056	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	790099105	DGFALFQZXMYJID-MHWRWJLKSA-N	297.398	4.388	50	20	CIGD	
O=C(NN=C1CCC[C@H]1CCF)c1ccc2ccccc2c1	794897248	RHCSFFFFLUZEJC-AWEZNQCLSA-N	298.361	4.085	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(CCl)c1	799893111	QWXAXGLEPGHPSN-NTEUORMPSA-N	275.779	4.338	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cccc(C(C)C)c2)c1	830786527	UXGMWTMQZWMIHP-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C[C@H](C)CC(C)(C)C)c1	916978429	PBKQTGVCPWLQJF-AWEZNQCLSA-N	276.424	4.209	50	20	CIGD	
CC[C@H](C)O[C@@H](CBr)c1ccc(C)cc1	50480054	OVIIAVOUFUTPGQ-AAEUAGOBSA-N	271.198	4.246	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1c(F)cccc1Cl	255031687	YPLYGBOWKVFDAP-YFHOEESVSA-N	289.693	4.170	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc3ncccc3c2)sc1C	741473390	HROBNZAPQOCYPX-DHDCSXOGSA-N	291.379	4.372	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cc2ccccc2o1	749822950	FUAKBGMWVDLVBY-LBPRGKRZSA-N	286.375	4.365	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)C1CCCCC1	767715424	VTWYXEUHKJAYCH-XNTDXEJSSA-N	271.335	4.191	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cc2ccccc2o1	807975041	DOXSPXXOHPGPGG-GFCCVEGCSA-N	286.375	4.365	50	20	CIGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)C1CCCC1	915960394	FSZDLAXBTUWFHJ-UHFFFAOYSA-N	286.419	4.037	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(F)ccc2F)c1	918713566	LAOOYZMPIPVWAA-NVNXTCNLSA-N	297.304	4.372	50	20	CIGD	
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(C)o2)CC1	5428453	ZIGCLWCOLCQZFW-UHFFFAOYSA-N	290.407	4.300	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1)c1nc2ccccc2o1	102903201	BYEXYOUQNDANBF-XFXZXTDPSA-N	264.259	4.031	50	20	CIGD	
CC(C)(C)[C@@H]1CCCC(=NNC(=O)CC(F)(F)F)CC1	746563518	BFAQXFFCSMCYTP-SNVBAGLBSA-N	292.345	4.037	50	20	CIGD	
CC[C@H](NCCSSC)c1ccc(F)cc1F	789698213	QQEBENASASOSCT-LBPRGKRZSA-N	277.405	4.017	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1ccc(Cl)cc1	915936396	VSULPGFAQTYDFZ-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
CC[C@@H](C)C(=O)NN=Cc1sc2ccccc2c1Cl	915977390	STLOFTGWOZHGGI-SECBINFHSA-N	294.807	4.051	50	20	CIGD	
CCC1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1	5455772	YZWQBBOONSMJJG-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C)cs2)c(C)c1	8079430	BFIPSFKPCJRNTB-VGOFMYFVSA-N	254.358	4.133	50	20	CIGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)c1ccccn1	177609228	MNFPNLZOZOKDHQ-DHZHZOJOSA-N	295.392	4.331	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	790599826	FDZQDMKITFUNHH-OYGDSYQHSA-N	290.432	4.353	50	20	CIGD	
CCC[C@@](C)(CBr)COCc1ccccc1	230090513	YSVKDZFNXKUYNV-AWEZNQCLSA-N	285.225	4.405	50	20	CIGD	
C[C@H](c1ccc2ccccc2c1)N1CC=C(C#N)CC1	779591231	ZKWUONXEIKJNAF-CQSZACIVSA-N	262.356	4.056	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(SC)s1	840717427	UZZKDUMQAKHIHZ-DFYQSJSGSA-N	279.430	4.382	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1c(F)ccc(F)c1Cl	863177675	UFSBHXQKGSNKQS-SOFGYWHQSA-N	283.705	4.140	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863184997	SFRHDYHEDWFGIO-QMEHYBMDSA-N	287.306	4.289	50	20	CIGD	
CCCCCOC(=O)CCCC[C@H]1CCSS1	918955310	PFWVBDOQUFILQU-LBPRGKRZSA-N	276.467	4.434	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)c2nnc([C@@H](C)CC)o2)cc1	1327874018	LJIGEXXPOPAMKH-LQELWAHVSA-N	297.358	4.046	50	20	CIGD	
FC(F)(F)c1ccc(C(F)(F)F)c(CCl)c1	2541321	NFRNXRHGNOIVOT-UHFFFAOYSA-N	262.580	4.463	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1	7211199	DNHFVGOWPMRTDP-MHWRWJLKSA-N	291.350	4.107	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)s1	180570220	RNGGIPNWIBOCLS-MDWZMJQESA-N	284.340	4.337	50	20	CIGD	
CC(C)(C)OC(=O)n1ccc2c(CCl)cccc21	230837717	LIUWGEGLMWFGNE-UHFFFAOYSA-N	265.740	4.163	50	20	CIGD	
CCCCC1CCC(C(=O)NNc2ccc(F)cc2)CC1	301236756	BBLZLARZNRBFBR-UHFFFAOYSA-N	292.398	4.265	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1	587188767	WHAGRNIZEVGZNW-GDNBJRDFSA-N	273.339	4.244	50	20	CIGD	
Cc1ccc(NNC(=O)CC2CCC(C)(C)CC2)cc1	752610718	FKYFCVDCQCUWTM-UHFFFAOYSA-N	274.408	4.045	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781554404	OOFWUULDCSQKFK-GXDHUFHOSA-N	271.385	4.075	50	20	CIGD	
CC(C)(CC(=O)NNc1ccccc1)C1CCCCC1	793705462	RBKOFFDHOTVOKK-UHFFFAOYSA-N	274.408	4.126	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2C)cc1C	809147043	XHGQWXBWFXYWMO-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCO2)c1nc(C2CC2)cs1	843266585	XQOPCUXYIBQDJL-RIYZIHGNSA-N	294.379	4.020	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cccc3c2CCC3)sc1C	844547583	HDPXLJSGMLDGOQ-DHDCSXOGSA-N	280.396	4.313	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	72120165	JWFYGWYOHXMINQ-XFFZJAGNSA-N	298.169	4.244	50	20	CIGD	
C[C@H](OC1(CBr)CCCCC1)C(F)(F)F	85422940	TWODQNAICULXGL-QMMMGPOBSA-N	289.135	4.052	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cn1	154274258	DPLUWPSALOGRBS-AWNIVKPZSA-N	269.373	4.034	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	178533136	QHDTWFVKFWFUQN-JSAOQESESA-N	294.285	4.354	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccoc1C	213022666	YRLAKNOPTUASMW-OBHNZGETSA-N	277.323	4.324	50	20	CIGD	
O=C(CCc1ccccc1)NN=C1CC[C@@H]2CCCC[C@@H]2C1	749745526	QOWVGSJITFHGQT-DLBZAZTESA-N	298.430	4.082	50	20	CIGD	
C/C=C(\C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	751189681	VPIFOMZLFQXDTO-ZZXKWVIFSA-N	293.581	4.056	50	20	CIGD	
Cc1cc(COC(=O)/C(C#N)=C/c2ccccc2)c(C)s1	785352523	WWWCXGJPHKFMHW-OQLLNIDSSA-N	297.379	4.015	50	20	CIGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c1	809147222	YXMNKVQMZIAUNQ-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
C[C@H](C=NN(C)C(=O)OC(C)(C)C)C1CCCCC1	814813413	OFNXWLXPLALXHT-GFCCVEGCSA-N	268.401	4.056	50	20	CIGD	
CCC1CCC(CBr)(OC(C)C)CC1	50479909	JLLJSVGMHPHMID-UHFFFAOYSA-N	263.219	4.145	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)cs1	195228247	JMBPPILQYXMWCU-YHYXMXQVSA-N	267.781	4.314	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1	211474824	YAGDPMDYWIJLGS-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CC[C@H](C)OC(=O)CCCC[C@H]1CCSS1	729078096	JBIXZISHHUDXBV-QWRGUYRKSA-N	262.440	4.042	50	20	CIGD	
Cc1ccc(NC=C(C#N)C#N)cc1OCC1CCCCC1	741202958	ANQCSQALFBAGJI-UHFFFAOYSA-N	295.386	4.297	50	20	CIGD	
Cc1ccccc1NC(=O)NN=C[C@H](C)c1ccc(F)cc1	756885118	SQTHLMHRSCMPPY-ZDUSSCGKSA-N	299.349	4.045	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccc3ccccc3n2)ccc1C#N	766488720	BHAYPERSJACKIX-WOJGMQOQSA-N	295.345	4.479	50	20	CIGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)C1CCCCC1	767715741	XYTQOISBUOULDF-WUXMJOGZSA-N	293.288	4.160	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1cc2c(s1)CCC2	834926476	NZVOSZBNJCYBLM-UHFFFAOYSA-N	290.432	4.089	50	20	CIGD	
CC(=NNC(=O)c1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1C	834964013	IOAQAJATIKJEJK-SWLSCSKDSA-N	298.386	4.365	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(OCC3CC3)cc2)n1	190243175	GUGPUJDENIJOMP-NVNXTCNLSA-N	296.395	4.305	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc2ccccc2[nH]1	588393593	GOLMINLOWMWXJY-JYRVWZFOSA-N	277.302	4.075	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccccn2)cc1Cl	588595826	XXCUWDHEVYCESC-JYRVWZFOSA-N	254.720	4.108	50	20	CIGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)C1CCC1	731932276	FWKJKBQHPBNQKE-CYBMUJFWSA-N	264.413	4.029	50	20	CIGD	
C[C@H](Oc1ccccc1NC=C(C#N)C#N)c1ccccc1	734414306	DQKNYQSPYHUBCP-AWEZNQCLSA-N	289.338	4.170	50	20	CIGD	
CCc1oc2ccccc2c1C=NNC(=O)CC1CCCC1	749450148	TUTQNVLWFWCKAV-UHFFFAOYSA-N	298.386	4.026	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)cccc2C)cc1	764917104	LEIYYKFCWTXTBW-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
CCCCC[C@H](CC)C(=O)NNc1cccc(C)c1	776222398	KPIIASCFZPBTHK-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2cccc3ccccc23)[C@H]1C	781126994	JSTBLYKIODGOIF-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc(Cl)cc2F)[C@@H](C)C1	783848341	FYMGVMDBZMEVKH-UWVGGRQHSA-N	296.773	4.021	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(CCl)c1	799891225	BEEGNRGYRLWUTM-CDCQXCROSA-N	275.779	4.338	50	20	CIGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1	915992013	QZPIOOHMFORRNG-WJDWOHSUSA-N	285.387	4.244	50	20	CIGD	
CC(=O)NN=Cc1cc(C)c2cc(C(C)C)ccc(C)c1-2	606442296	SSUJXNDBEIHIRX-UHFFFAOYSA-N	282.387	4.002	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	732715919	CNMYFTXATQEGFV-SFQUDFHCSA-N	296.414	4.002	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758062356	JMAHTRGKULOZOP-NTBKVEBNSA-N	289.325	4.433	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	794953516	MCLHKVGNCWAYNG-GXDHUFHOSA-N	294.354	4.254	50	20	CIGD	
COCc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843263718	DPWMDWDEWVGODW-OVCLIPMQSA-N	296.395	4.231	50	20	CIGD	
CCCN(C(=O)CCCC[C@H]1CCSS1)C(C)C	848291940	JCGNXJFADPTMFL-ZDUSSCGKSA-N	289.510	4.348	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cc(C#N)cs2)n1	176844960	WAYBXPJFISXGCW-WCIBSUBMSA-N	285.397	4.264	50	20	CIGD	
CCC1(C)CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1	751515950	HHFFOEIJFQCARN-UHFFFAOYSA-N	297.402	4.244	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)C1CCCC1	761485116	DBKOFBJZQZGKPJ-XFFZJAGNSA-N	295.169	4.055	50	20	CIGD	
C=CCC[C@H](NC[C@@H](C)CBr)c1ccccc1	770666347	LDRPBGFIHNHYCY-ZFWWWQNUSA-N	296.252	4.315	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)C1CCCC1	781553942	ZWMWUPVXEBQHOY-UKTHLTGXSA-N	293.288	4.372	50	20	CIGD	
CC(C)c1ccc(NNC(=O)C(C)(C)C2CCC2)cc1	837053183	LWXOYLUBQGCXLY-UHFFFAOYSA-N	274.408	4.079	50	20	CIGD	
N#C/C(=C\c1cccs1)C(=O)c1cccc(Cl)c1	11297211	IRCUUZFZXSOOSG-DHZHZOJOSA-N	273.744	4.191	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1F	171510520	DTGUBSOQIVUATK-UKTHLTGXSA-N	277.302	4.075	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1	194536888	UVDVQSCJGKFLLQ-MKMNVTDBSA-N	283.277	4.063	50	20	CIGD	
CCC[C@@H](CC1CCCC1)C(=O)NNc1ccccc1	747988280	BKOFMLSRFACHIO-HNNXBMFYSA-N	274.408	4.126	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(Cl)c(C)c2)cc1	764885634	LPOGWDFZNSASDO-OVCLIPMQSA-N	296.757	4.142	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)[C@@H](C)CC)c1	773915948	RYCRUARNYDYHSO-RERGGYADSA-N	255.361	4.161	50	20	CIGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1c(Cl)cccc1Cl	780640247	AALNYRSXTQVFFF-DTWKUNHWSA-N	289.206	4.119	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2ccccn2)cc2cccnc12	783697324	OLNLILPJBQFIIN-WJDWOHSUSA-N	271.323	4.002	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)c1cnc2ccccc2n1	790227111	CXXMPLVYSPFVED-YHYXMXQVSA-N	297.770	4.409	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1ccccc1F	794686186	LNJUISVQFRKBNC-UVTDQMKNSA-N	291.281	4.362	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccccc1OC(F)F	171019563	ZUUODJUKLFVMSH-UKTHLTGXSA-N	293.313	4.200	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	255055367	JYCODXXZZDTNRW-POHAHGRESA-N	265.715	4.001	50	20	CIGD	
C[C@H]1C[C@@H](CC(=O)NNc2ccc(F)cc2)CC(C)(C)C1	727367992	LHVCIZMJUQFFKP-STQMWFEESA-N	292.398	4.121	50	20	CIGD	
CCc1cccc2c(/C=C(\C#N)C(=O)C3CCCC3)c[nH]c12	781552627	BGKRRIMMUJNDTO-XNTDXEJSSA-N	292.382	4.397	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	810217097	WFDJGUPKXIQCMO-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@H]2CCC[C@H]1C2	890321898	KUZHYRCFUUQNHK-MELADBBJSA-N	299.505	4.102	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)o1	918733770	TWOWBPDBERICCA-AIDTXJDASA-N	271.360	4.315	50	20	CIGD	
N#Cc1ccc([C@@H](Br)c2ccccc2)cc1	79572214	GRVPWOLGXHBUJY-AWEZNQCLSA-N	272.145	4.043	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)o1	255418655	WHLWAGMCGQZIRR-JYRVWZFOSA-N	277.279	4.124	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)c2ccccn2)c1	588488927	RDUDTGNCNCXBPL-UVTDQMKNSA-N	266.369	4.258	50	20	CIGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccc(CC)cc1	727256941	QRQRVOVANQYVGG-HNNXBMFYSA-N	286.419	4.325	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C(C)C)cc1	771700272	FPQUTCCWEOTDHL-UHFFFAOYSA-N	286.350	4.014	50	20	CIGD	
CCCN(N=C1CCCC[C@@H]1C)C(=O)OC(C)(C)C	794997648	ZNBSZHXSIWAAAX-LBPRGKRZSA-N	268.401	4.200	50	20	CIGD	
CC[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	916353448	NOAYPXMOTQACCR-GHMZBOCLSA-N	292.448	4.025	50	20	CIGD	
Cc1ccc(C2CC(=NN(C)C(=O)OC(C)(C)C)C2)cc1	491233425	CGBUYFDTWMEEOD-UHFFFAOYSA-N	288.391	4.095	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	726429820	WDRDEHKMURDXFB-NWRYFCBHSA-N	293.366	4.371	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	741468027	CEIAFYDUAKURTE-KYFHAXMXSA-N	298.342	4.063	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ncccc1C(F)(F)F	794873841	HSOLQQVJUGVOPJ-CSKARUKUSA-N	296.292	4.013	50	20	CIGD	
CCc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	844548624	SSCODPKUFSXQGM-OQLLNIDSSA-N	268.385	4.387	50	20	CIGD	
C=CCC[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccco1	857081797	IOUCMGGJTAOCLZ-FPMFFAJLSA-N	298.224	4.050	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc(C)c(C)s2)c1	125403623	GTFBSEDEESNKPD-OVCLIPMQSA-N	268.385	4.441	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccnc2C)cc1	255634780	RCQQBISGFNRISW-PDGQHHTCSA-N	290.366	4.132	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	747689907	APJOMVKVWPUHMT-IQGJIOQQSA-N	290.366	4.271	50	20	CIGD	
C#CCCCCCC(=O)NNc1c(Cl)cccc1Cl	780641823	QWTMSUHTKGCBQP-UHFFFAOYSA-N	299.201	4.020	50	20	CIGD	
COCc1csc(/C=C(/C#N)c2nc(C)c(C)s2)c1	849244453	BOIKLDMVDOHZAK-XGICHPGQSA-N	290.413	4.032	50	20	CIGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1	6209588	PVMNWRLVKHYEKN-NTCAYCPXSA-N	294.354	4.168	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc3ncccc3c2)sc1C	125454242	HROBNZAPQOCYPX-OQLLNIDSSA-N	291.379	4.372	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)[C@H](C)CC)c1	769726697	PKBIPHPMESYGTE-ZMTLZGASSA-N	273.401	4.321	50	20	CIGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccoc1	798231274	XHJSAKVIXSLPAS-KPKJPENVSA-N	291.228	4.088	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)c(C)s1	806553195	JJDGCZKMHUFOFX-PTNGSMBKSA-N	297.427	4.455	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2CCCC[C@@H]21	855062247	DCUNKQXPNJZVLU-MJBXVCDLSA-N	299.505	4.102	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2c(F)cccc2F)c1	918713266	HCIGATHFLCYAAG-ZROIWOOFSA-N	297.304	4.372	50	20	CIGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)CC(C)(C)C)c1	921270628	WDUDEIQJAWVBLO-DHDCSXOGSA-N	285.387	4.386	50	20	CIGD	
Cc1ccc(/C=C(C#N)\C(O)=N\[C@@H]2CCCC[C@H]2C)s1	82063090	XFAPKEIVFKTROA-PEZBLYKWSA-N	288.416	4.499	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	726430348	YCTWRXRRMLHPJZ-WZMONFQBSA-N	293.366	4.371	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1C1CC1	750818063	OFZSSWLENFSEMM-JXCQQFQQSA-N	253.345	4.086	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1	764890970	GXVCLYSZWVCYBD-OQLLNIDSSA-N	281.742	4.438	50	20	CIGD	
CCC[C@@H](C=NNC(=O)c1ccccc1F)c1ccccc1	769567156	NERANQPRHIAWHJ-HNNXBMFYSA-N	298.361	4.125	50	20	CIGD	
Cn1cccc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788330383	HHASYSUPBDQARP-UKTHLTGXSA-N	292.363	4.030	50	20	CIGD	
O=C(CCC1CC1)NNc1ccccc1Oc1ccccc1	846461534	BQNROZVPCHJYLL-UHFFFAOYSA-N	296.370	4.112	50	20	CIGD	
C[C@H](CBr)Cc1sccc1Br	85052037	KGTQLNXXPNXRQD-LURJTMIESA-N	298.043	4.084	50	20	CIGD	
Cc1cccc(C(=O)NNc2ccc(Cl)cc2)c1Cl	151810502	KLKUPTXYCVXCSH-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCCCCCCCC(=O)NNc1ccc(F)cc1F	733362099	NVSUFYZXBUDNPM-UHFFFAOYSA-N	284.350	4.159	50	20	CIGD	
ClCCCOc1ccc(CNCc2ccsc2)cc1	811471243	LFCKHALFBKIPNA-UHFFFAOYSA-N	295.835	4.046	50	20	CIGD	
BrC[C@H](OCc1ccccc1)c1ccccc1	50480475	CYABZTRBAPHWND-HNNXBMFYSA-N	291.188	4.339	50	20	CIGD	
CC(C)C[C@@H](C)OC1(CBr)CCCC1	50480560	FUAMNTXGVKOVNO-LLVKDONJSA-N	263.219	4.145	50	20	CIGD	
C[C@@H](C(=O)NNc1ccccc1)c1ccc2ccccc2c1	84622229	BDHVXNYPFIPUNO-CQSZACIVSA-N	290.366	4.087	50	20	CIGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)c1ccccn1	158292825	VMYSTOWGVNTGCP-LGMDPLHJSA-N	283.334	4.208	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1cn(C)c2ccccc12	744782662	XSCHLIUIGHKVQB-UHFFFAOYSA-N	299.418	4.254	50	20	CIGD	
Cc1ccc(NNC(=O)C(C)(C)C2CCCCC2)cc1	767148398	RYPSVBQVJXXTKJ-UHFFFAOYSA-N	274.408	4.045	50	20	CIGD	
COc1cc(C)ccc1/C=C(\C#N)c1nc(C)c(C)s1	834424954	FAQDWGINPPPAJK-RIYZIHGNSA-N	284.384	4.141	50	20	CIGD	
O=C(CCl)N[C@H](CC1CCCCC1)c1ccccc1	1253963050	JUGUEGIYYONKJI-OAHLLOKOSA-N	279.811	4.053	50	20	CIGD	
Cc1cccc([C@H](CBr)OC2CCCC2)c1	50480469	PJGVACKHORTLJL-AWEZNQCLSA-N	283.209	4.390	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)o1	733781914	MEYWXJGTEMSPPH-FPODFMBDSA-N	295.313	4.332	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@H]1c1cccc(F)c1	750803342	YROWEOMOIVEAAO-QGEBHBTGSA-N	296.320	4.276	50	20	CIGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CC=CCC1	757421260	HHRREZVGJBREGZ-GFCCVEGCSA-N	297.310	4.010	50	20	CIGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1c[nH]c2ccccc12	764657385	IQNKIQJJCNDZDB-CYBMUJFWSA-N	297.402	4.100	50	20	CIGD	
C=C(CBr)CN(C)[C@@H](C)c1ccc(C)cc1C	791447628	KEIPDRFTBJKZDY-AWEZNQCLSA-N	296.252	4.247	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1sccc1Cl	794873928	IGRZRMXLLRGWKJ-CLFYSBASSA-N	267.781	4.314	50	20	CIGD	
CCc1ccc(C(=O)NNc2cc(C)ccc2C)cc1CC	1116468094	BCLPXEMPFYLRJL-UHFFFAOYSA-N	296.414	4.185	50	20	CIGD	
CCC[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	41947878	YUZVIPHAFTXWRS-NWDGAFQWSA-N	275.483	4.005	50	20	CIGD	
C[C@H](CBr)Cc1cccc(Br)c1	84192525	ZHPHOZVKUMSFHL-QMMMGPOBSA-N	292.014	4.023	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC(C)C	175628053	PGSBLLYRSWPENV-UHFFFAOYSA-N	290.432	4.369	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758062539	KDFMUUNGSKKMAP-WXMMMWJWSA-N	275.298	4.043	50	20	CIGD	
C[C@H]1CC(=NNC(=O)c2cccc3ccccc23)CC[C@H]1C	767381535	ZDPWHGVDKFMCNN-KGLIPLIRSA-N	294.398	4.382	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)C2CCCC2)c1	773914145	DFCHLYHCSRXLEW-SFQUDFHCSA-N	267.372	4.305	50	20	CIGD	
CC(CC(C)(C)C)=NNC(=O)c1cc2ccccc2cc1O	834917944	PJVGZDRUIBWULN-UHFFFAOYSA-N	298.386	4.087	50	20	CIGD	
O=C(CCl)N(Cc1ccc(Cl)cc1)c1ccccc1	32157417	NCOUZBLICCILCG-UHFFFAOYSA-N	294.181	4.112	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)s1	125438678	GORQGZSAFFYJDP-WDZFZDKYSA-N	260.387	4.194	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C)s2)cc1	154301464	UZFMTYNRMZAASO-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(F)c(Cl)c2)n1	158777359	IKPLKITZYAGRIZ-ONNFQVAWSA-N	278.739	4.308	50	20	CIGD	
CC[C@@H](C)CN(C)C(=O)CCCC[C@H]1CCSS1	171866909	JORBJLBHOPHWRS-OLZOCXBDSA-N	289.510	4.205	50	20	CIGD	
CC(C)[C@H](CBr)CCOCc1ccccc1	306558319	ONENKRASNDAEDF-AWEZNQCLSA-N	285.225	4.260	50	20	CIGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(Cl)c1	735270913	YYOQORPPAAMCAT-GFCCVEGCSA-N	282.815	4.390	50	20	CIGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccccc1	740759974	GPCDPTPCNGXYCY-UHFFFAOYSA-N	294.398	4.205	50	20	CIGD	
CCCCC[C@@H](C(=O)NNc1ncccc1Cl)C(C)C	755805054	TWJILXXLOUGOCS-GFCCVEGCSA-N	297.830	4.031	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1coc2ccccc12	794875228	RVGOMNOCFOFBJF-FMIVXFBMSA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C\c1cccc(C#N)c1)c1cc(C(F)(F)F)ccn1	812246412	LCSDGNZAHZENTI-NTUHNPAUSA-N	299.255	4.036	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCC[C@@H]2C[C@@H]21	838265746	WRYDTMHCWJROFO-YIYPIFLZSA-N	299.505	4.005	50	20	CIGD	
CC1(C)C[C@]1(C)NC(=O)CCCC[C@H]1CCSS1	856134987	QSQWIJBGECLMAX-FZMZJTMJSA-N	287.494	4.005	50	20	CIGD	
Br[C@@H]1CCCCCC[C@H]1OC1CCCC1	158122478	KGVJMVYIQLWORP-CHWSQXEVSA-N	275.230	4.432	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@H](c2ccccc2)C1	750794795	KJBFDYDWOVPKPS-PYJSORCASA-N	274.367	4.041	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)ccc1C#N	766289377	HIKMFLFWUCSPIG-SXGWCWSVSA-N	298.349	4.116	50	20	CIGD	
CC(C)(C(=O)NNc1ccc(F)cc1F)C1CCCCC1	767084996	WPPXTDRZVNMMCP-UHFFFAOYSA-N	296.361	4.014	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccc(F)c(F)c1	794715711	YCRIPWAHKCLDJO-WOXAVFRBSA-N	289.325	4.433	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794876004	ZSBPKOQUCDLBGW-AAIQCTMTSA-N	263.287	4.146	50	20	CIGD	
CC(C)CCC(=NNC(=O)c1c[nH]c2ccccc12)C1CC1	802703765	JGJYYKYRNBYTHQ-UHFFFAOYSA-N	297.402	4.100	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)C(C)(C)F	834447079	HPEGGLGAYCKJHA-XFFZJAGNSA-N	279.742	4.181	50	20	CIGD	
CCCC1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1	6039498	QIWYTLVJLIPMCT-UHFFFAOYSA-N	292.810	4.416	50	20	CIGD	
O=C(NNc1ccccc1)c1ccc(-c2ccccc2)s1	192758147	DDEFWLYYLXSPTK-UHFFFAOYSA-N	294.379	4.172	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCOc1ccc(C#N)cc1F	203538520	JJWMTOANXGDXHS-UHFFFAOYSA-N	295.430	4.098	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1cccc(F)c1	588597510	SPYKUUWGSCWKHZ-GXDHUFHOSA-N	291.281	4.362	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccsc1	750914153	SSICFYWHKYANJH-WVLBTEBZSA-N	279.364	4.484	50	20	CIGD	
CCCCCC=NNC(=O)c1ccc(Cl)cc1Cl	755582326	WIDSZDVMRRADBM-UHFFFAOYSA-N	287.190	4.289	50	20	CIGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cc2ccccc2o1	769587142	YFHPEXSEIYXXJJ-STQMWFEESA-N	298.386	4.365	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)c2ccsc2)c1	773914706	HCHDTNCRXUOBBX-YBEGLDIGSA-N	281.380	4.490	50	20	CIGD	
CCOc1ccc(NNC(=O)CCCC[C@@H](C)CC)cc1	817904833	SMZFAUOIIVCPCI-AWEZNQCLSA-N	292.423	4.135	50	20	CIGD	
Cc1cccc(C(C)C)c1NC(=O)NCC(Cl)Cl	877939529	YFTDCXCHFIVTPK-UHFFFAOYSA-N	289.206	4.044	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	125493413	XWCOEJSBYXCZJD-BVBCSLMJSA-N	281.277	4.016	50	20	CIGD	
Cn1c(/C(C#N)=C\c2coc3ccccc23)nc2ccccc21	255149468	KGYGCKRPLXOELT-RAXLEYEMSA-N	299.333	4.384	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C/c1ccccc1	794954217	NAIVCQWYJLTMIZ-OUKQBFOZSA-N	294.398	4.275	50	20	CIGD	
Cc1cccc(NNC(=O)CC2CC(c3ccccc3)C2)c1	799098325	BZTOAEOFVMLPME-UHFFFAOYSA-N	294.398	4.022	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2cc1OC	834421339	QAIPOTZKVXXGSO-VZWMTCDZSA-N	293.366	4.371	50	20	CIGD	
Cc1occc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	840734181	DXWZRQSBHQFIAY-KPKJPENVSA-N	272.373	4.406	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(C)c1	7156954	YMNLXTRECUNUME-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CC[C@@H](C)O[C@H](CBr)c1ccc(C)cc1	50480055	OVIIAVOUFUTPGQ-DGCLKSJQSA-N	271.198	4.246	50	20	CIGD	
BrCC1(OC2CCCCC2)CCCCC1	50480389	KPKDXXHITZFVTQ-UHFFFAOYSA-N	275.230	4.434	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)c1cnc2ccccc2n1	191357933	IZUAWKGELVMMIG-RIYZIHGNSA-N	289.313	4.142	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1F)c1nc2ccccc2[nH]1	588542822	WRUJUWZDGLELBG-XFFZJAGNSA-N	297.720	4.420	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1	774560039	VDJLAIRKJYUWGP-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
C=C[C@@](C)(CC)C(=O)NNc1cc(Cl)ccc1Cl	785612850	XZYYMJBOWJOSDU-ZDUSSCGKSA-N	287.190	4.039	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1c[nH]c2ccccc12	814699986	UYLWXPFHTOFTQW-UHFFFAOYSA-N	283.375	4.020	50	20	CIGD	
O=C(NNc1cc(Cl)ccc1Cl)C1CC2(CCC2)C1	843832691	FTOVMDHQOVFYON-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)c1ccsc1	179177869	WCLXDHGXKQUZSB-VZUCSPMQSA-N	291.734	4.330	50	20	CIGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)c1ccccn1	180425908	WADQZPFBDZJHFH-FMIVXFBMSA-N	288.322	4.460	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)C(C)(C)C)c1	184540570	MJPVXQOUSTXIRL-UKTHLTGXSA-N	273.401	4.321	50	20	CIGD	
C[C@@H](C=NN(C)C(=O)OC(C)(C)C)CCc1ccccc1	492862884	FOYQTJYDNIGZHY-CQSZACIVSA-N	290.407	4.108	50	20	CIGD	
CCC(=NNC(=O)CC(C)(C)C)c1ccc(Cl)s1	733204141	IXWXAXBKYWUICD-UHFFFAOYSA-N	286.828	4.068	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cccc(Cl)c1	748244820	RQHCMNCSCXCPHZ-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)C1CCCCC1	767715532	XHDAFJKSWRHHKT-JYRVWZFOSA-N	286.400	4.077	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c(C)o1	767887276	QKOVVLHNGLJBKD-SXGWCWSVSA-N	279.339	4.303	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(Cl)cs1	779799755	UFDHUSMQMFKKMJ-YRNVUSSQSA-N	296.823	4.005	50	20	CIGD	
C=C(CBr)CN(C1CC1)[C@H](C)c1ccccc1	791473168	KUTDXLIHJKUSEN-CYBMUJFWSA-N	294.236	4.163	50	20	CIGD	
CCCCC(C)=NNC(=O)c1cc2c(s1)CCCCC2	916370087	UFUBETNJAMWDSA-UHFFFAOYSA-N	292.448	4.313	50	20	CIGD	
N#C/C(=C\c1ccccc1F)C(=O)c1cc2ccccc2o1	48417568	STLXXYPBHHHETJ-NTEUORMPSA-N	291.281	4.362	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(F)c1F	107417692	RTDLOKVXFGDDSB-XFFZJAGNSA-N	289.306	4.125	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	255607889	QSNIFPXYLHEADV-GHXNOFRVSA-N	281.277	4.228	50	20	CIGD	
CC[C@H](C(=O)NN=CC1CCCCCC1)c1ccccc1	741841339	CATBSHBABJXWHA-KRWDZBQOSA-N	286.419	4.253	50	20	CIGD	
C[C@H](CBr)CN(C1CC1)[C@H](C)c1ccccc1	770654333	BYXCSQFAXFOWMW-CHWSQXEVSA-N	296.252	4.243	50	20	CIGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1ccccc1	779221247	SUMAPIDCFUJNCT-WOJGMQOQSA-N	284.318	4.025	50	20	CIGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781554915	XFTGNCXBNVIPFP-WJDWOHSUSA-N	283.371	4.140	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)cc1C	794873764	HCPSQVOIMOTTCL-LCYFTJDESA-N	259.324	4.046	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1	834743416	DLNIGDLRYAMLCH-VBKFSLOCSA-N	283.371	4.032	50	20	CIGD	
Cc1cc(Cl)ccc1C(=O)NNc1cccc(Cl)c1	178451011	PZDNPEXDQWBDND-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cc(C#N)cs2)n1	255134399	WAYBXPJFISXGCW-NYYWCZLTSA-N	285.397	4.264	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cs1	588601389	YGSVDOTZHIAYGX-UMYFRRCYSA-N	267.781	4.314	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C)c(F)c1	741469960	NPGBDERQBDKION-QENILXLESA-N	259.324	4.046	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC[C@H]1c1cccs1	750600529	ZOMBOJUFZMSCMK-IZNAZMGOSA-N	280.396	4.450	50	20	CIGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)c1ccncn1	758917094	WFZDYUHDGHGFQP-RIYZIHGNSA-N	289.363	4.269	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)ccc2C)cc1	764892594	WZXRWXKWHGDBPY-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)C1CCCC1	781554586	RTHLQKSACYAION-HLXKFHDQSA-N	265.356	4.299	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)C(C)(C)CC)c1C	794873030	AXWWVUOIPTVNEL-GDNBJRDFSA-N	272.392	4.037	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)ccc1C	794875226	RQQGTSOGMNISLO-XNTDXEJSSA-N	255.361	4.216	50	20	CIGD	
COCCNc1cccc(S(F)(F)(F)(F)F)c1	709684602	CQJBKIWRZJCSJO-UHFFFAOYSA-N	277.258	4.402	50	20	CIGD	
CCc1ccc(C(=O)NN=C(C)CCC=C(C)C)cc1	749156712	LQOVIEXZAINCSZ-UHFFFAOYSA-N	272.392	4.101	50	20	CIGD	
CC(C)(CCCCCl)c1nc(O)c2c(F)cccc2n1	766287465	FZGZCSUUYFNBLI-UHFFFAOYSA-N	296.773	4.161	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc2ccccc2c1	786676863	DAQQYGZPYNKAGA-VQIMKDEXSA-N	291.350	4.304	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)C(=O)c1ccccc1	794689372	BBXVRYJFDQGTEV-YAWWFHRPSA-N	295.288	4.311	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	794874636	MOBJVRLVYQRSDD-XYOKQWHBSA-N	293.313	4.200	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1C=CCCC1	812769626	PUPXHTMDDYZYQN-HNNXBMFYSA-N	286.419	4.308	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(F)c(F)c1F	853005205	ZBKSHTRKKZVPTR-POHAHGRESA-N	281.277	4.016	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)C1CCCC1	914835395	HYBDCLPUSQEBSQ-UHFFFAOYSA-N	252.402	4.029	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)CC(C)C)c1OC(F)F	182060408	BKBAMLAKQKFBTB-MDWZMJQESA-N	293.313	4.119	50	20	CIGD	
BrCC1(COCc2ccccc2)C[C@@H]2C[C@H]2C1	230090857	JGLCFZQEWGOHAA-KBPBESRZSA-N	295.220	4.014	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(F)cccc1Cl	726183972	OXQMECUAOKFDPL-FLIBITNWSA-N	279.742	4.391	50	20	CIGD	
Cc1ccc2nc(/C=C\c3cnn(CCCl)c3)ccc2c1	728699228	CXAVFBYXQJTRSV-HYXAFXHYSA-N	297.789	4.149	50	20	CIGD	
CCCCCCCCC(=O)NNc1c(F)cccc1F	735696440	TZPXQGUBWMVKNJ-UHFFFAOYSA-N	284.350	4.159	50	20	CIGD	
C[C@H](c1cccnc1)N(C)CCO[Si](C)(C)C(C)(C)C	788021456	PJTFEQARSFNHRM-CQSZACIVSA-N	294.515	4.096	50	20	CIGD	
CC1=C(C)CN(C(=O)CCCC[C@H]2CCSS2)CC1	796468018	SPPIOPYPHNNFNE-AWEZNQCLSA-N	299.505	4.269	50	20	CIGD	
Cc1occc1CN(C)CCO[Si](C)(C)C(C)(C)C	808711974	XTKFRSBIRDZHCA-UHFFFAOYSA-N	283.488	4.042	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(C2CCCC2)cc1	812241088	CEZHHTMMVYQCGN-GZTJUZNOSA-N	267.372	4.476	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc2ccoc12	1324598206	WXJBUNDCTGPPKX-GQVHDAKQSA-N	267.328	4.345	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	109267473	YQCZRNUVJNHRFL-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
Cc1ccccc1NNC(=O)c1cc(Cl)cc(Cl)c1	120314040	RROXOCVEPWYVPB-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1ccc(F)cc1	195226902	CTMUFBBHERKIAW-YHYXMXQVSA-N	291.734	4.330	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1C	588597419	ODRPMEYTCCKIKF-ZSOIEALJSA-N	297.379	4.163	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	726428644	BXTFVAPHDQHQKI-AOHITCTBSA-N	284.403	4.055	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1F	741470884	WYXRBMDRLFTHJS-ZMTLZGASSA-N	259.324	4.046	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CC2CCCCCC2)c1	748414026	BYKZRPRCLLNYEC-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc(C)cc2)cc1	749192252	DDARCDJRPDXUTM-CQSZACIVSA-N	282.387	4.265	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	753716226	CFRUNWKXIGQINS-VPMLRQHESA-N	279.742	4.391	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnc(C(C)C)s1	758418524	NUACVSUTDSHAHC-GHXNOFRVSA-N	276.405	4.179	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1C	767351687	IPNSLZQUBJRDOG-GARZTLJTSA-N	261.752	4.171	50	20	CIGD	
Cc1ccc(NC(=O)NNc2cccc(Cl)c2)cc1C	775405631	FNRHHLBLVVSOEH-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(c2)CCC=C3)c1	802827362	WSXAMXDAYOPAEF-UHFFFAOYSA-N	292.382	4.020	50	20	CIGD	
N#CCCNCc1cccc(S(F)(F)(F)(F)F)c1	819377355	QJHULQKEFMNLQN-UHFFFAOYSA-N	286.269	4.347	50	20	CIGD	
CC[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCC2	916369369	CIOLGCRILVTRCS-NSHDSACASA-N	292.448	4.169	50	20	CIGD	
Cc1ccc(NC(=O)CCl)cc1OCC1CCCCC1	1319674336	KTLFLSGUGBBRIA-UHFFFAOYSA-N	295.810	4.131	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)o1	212002972	MEYWXJGTEMSPPH-FVIVFAEASA-N	295.313	4.332	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1F	735616989	QBQAELMOXNZDMJ-ZSOIEALJSA-N	291.329	4.383	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1ccccc1	740922843	ZOGNUILSPQSNKS-CQSZACIVSA-N	262.397	4.126	50	20	CIGD	
CCCOc1ccccc1[C@H](CC(C)C)NC=C(C#N)C#N	746403900	FKKSODCVTWCPLE-KRWDZBQOSA-N	297.402	4.083	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1ccc2ccccc2n1	748247238	RZBDIIZNVVFIMF-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
CCCN(Cc1ccccc1O)/C(=C\C#N)c1ccccc1	772797633	HJOCDZAPZFRRMP-PDGQHHTCSA-N	292.382	4.169	50	20	CIGD	
COc1ccc2oc(/C=C(\C#N)C(=O)C3CCCC3)cc2c1	781553107	KEKAMDSYDOXYBQ-GXDHUFHOSA-N	295.338	4.108	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccsc1Cl	790099150	GYMUZRJJCBDXDH-XFXZXTDPSA-N	296.823	4.005	50	20	CIGD	
Cc1cccc(CC(=O)NNc2c(C)cccc2C(C)C)c1	812767807	VAAMRNHPCQJTFG-UHFFFAOYSA-N	296.414	4.113	50	20	CIGD	
C=C[C@](C)(CC)C(=O)NNc1c(C)cccc1C(C)C	812768639	ZNWIJTGIEATPEG-QGZVFWFLSA-N	274.408	4.164	50	20	CIGD	
COC(=O)N(C)N=C1CCCC[C@@H]1c1ccccc1Cl	853343813	UAVRJTOZRYZTHG-GFCCVEGCSA-N	294.782	4.052	50	20	CIGD	
Cc1ccc(NNC(=O)C(C)(C)CC(C)C)cc1Cl	1323668801	MLBJNAKWVDUWQC-UHFFFAOYSA-N	282.815	4.164	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1	1325014262	GRDPYMOODNCPMY-DTQAZKPQSA-N	296.414	4.199	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	179171538	NRWMRAIUZFPWSI-POHAHGRESA-N	265.715	4.001	50	20	CIGD	
C=CCCC(CC)=NNC(=O)c1cc(C)nc2ccccc12	750918749	NWIJGRUWNUIGFF-UHFFFAOYSA-N	295.386	4.005	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1c1ccc[nH]1	808734983	LPTUOPOMRCQWHW-OAHLLOKOSA-N	294.515	4.173	50	20	CIGD	
Cc1cccc(C)c1NC(=O)[C@H](Br)C(C)(C)C	2535726	BPNFTRSIYAIBJZ-LBPRGKRZSA-N	298.224	4.052	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc2ccccc2s1	123334549	VDJRDEUFQXSBDI-FMIVXFBMSA-N	269.369	4.423	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1Cl	125348985	OAQQQDDCTJQZRM-GHXNOFRVSA-N	291.778	4.261	50	20	CIGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)C1CCCCC1	767712245	CNXOHMJLAYVGCU-VBKFSLOCSA-N	290.366	4.291	50	20	CIGD	
CCCCC[C@H](CC)C(=O)NNc1c(F)cccc1F	775781885	YIQOKBPFXJURIS-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1	790599822	FDZQDMKITFUNHH-HQQGHWSLSA-N	290.432	4.353	50	20	CIGD	
C=C(CBr)CN(C)[C@@H](c1ccccc1)C(C)C	791457725	AUMGORIYDXTMCB-OAHLLOKOSA-N	296.252	4.267	50	20	CIGD	
C=C(CBr)CN(C1CC1)[C@@H](C)c1ccccc1	791473172	KUTDXLIHJKUSEN-ZDUSSCGKSA-N	294.236	4.163	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)cs1	794874698	NKUPKZKMLPYMDP-UITAMQMPSA-N	267.781	4.314	50	20	CIGD	
CSSCCNc1ccc(C#N)cc1C(F)(F)F	804699241	HPNXITJFQPJGEY-UHFFFAOYSA-N	292.351	4.000	50	20	CIGD	
CCC(=NNC(=O)c1cc(C)cs1)C1CCCCC1	863155625	SDVSNCQGCVWFMC-UHFFFAOYSA-N	278.421	4.133	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(F)cc1	49072879	KOVGBTVBSXZNTG-ZDUSSCGKSA-N	299.436	4.478	50	20	CIGD	
Br[C@H]1CCCC[C@H]1OC1CCCCC1	50502645	NYJUBASFQIRYNF-NWDGAFQWSA-N	261.203	4.042	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2C)s1	170933423	XWWKJBOAULNXCE-MDWZMJQESA-N	285.343	4.294	50	20	CIGD	
CC(C)Cc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	755031856	JRTSBTVIKNKISA-MHWRWJLKSA-N	255.361	4.017	50	20	CIGD	
CCCCC[C@H](C(=O)NNc1cccnc1Cl)C(C)C	755836989	KEDDUURJTCKIOV-LBPRGKRZSA-N	297.830	4.031	50	20	CIGD	
COc1ccsc1/C=C(/C#N)C(=O)c1cccc(C)c1C	764417935	QOMYVWGNMBKVNQ-LCYFTJDESA-N	297.379	4.163	50	20	CIGD	
CC(C)C(C)(C)C(=O)NNc1ccc(C(C)(C)C)cc1	784463750	VFXDMHMUJVJGDU-UHFFFAOYSA-N	276.424	4.109	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@@H]2C)o1	794872874	AGAQTKSOCFUXPN-IINBJESKSA-N	271.360	4.315	50	20	CIGD	
CC/C=C(\C)C(=O)NN(c1ccccc1)c1ccccc1	918540105	GYISSCQIDZLDJG-XNTDXEJSSA-N	280.371	4.212	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	6956420	DBUSVVSZWWMVMA-ATVHPVEESA-N	290.366	4.103	50	20	CIGD	
CCn1c2ccccc2c2cc(NC=C(C#N)C#N)ccc21	15240662	OTQMECDNIGPOOP-UHFFFAOYSA-N	286.338	4.157	50	20	CIGD	
CC[C@H](Br)C(=O)c1ccc(Cl)c(Cl)c1	57666237	KZRPLFKVXPXPJR-ZETCQYMHSA-N	295.991	4.350	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccccc1OC(C)C	58732525	KRBQTVQNHFUOLJ-XNTDXEJSSA-N	295.338	4.165	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	102714150	RQTMBGMIXCAWOE-WMZJFQQLSA-N	281.277	4.016	50	20	CIGD	
COc1ccc2c(c1)/C(=C/C#N)C[C@H](c1ccccc1)C2	215761962	ZMLVCQCJUFKPQG-JDZKTDJGSA-N	275.351	4.332	50	20	CIGD	
CCCOc1cccc(/C=C(/C#N)C(=O)[C@@H](C)CCC)c1	741469384	LABCWZOSAHXYSN-HNDQUVLASA-N	285.387	4.388	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2cc(F)c(F)c(F)c2)sc1C	741474848	SGHLMZISKMOULJ-XCVCLJGOSA-N	294.301	4.241	50	20	CIGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1cccc(F)c1	772179500	QPNBJDIITNNGHD-MHWRWJLKSA-N	291.325	4.493	50	20	CIGD	
Cc1cc(C)cc(NC(=O)NNc2ccc(Cl)cc2)c1	775374146	YLUJYDWBJCOIGB-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2occc2c1	794691120	MDSPRXZMEQKTFT-UVTDQMKNSA-N	267.328	4.345	50	20	CIGD	
CCCCCC[C@@](C)(CC)C(=O)NNc1cccc(F)n1	804765052	GXZZABVSJKIVOD-MRXNPFEDSA-N	295.402	4.051	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(Cl)cs1	1322140148	JMISIKBVDHZZKV-IZZDOVSWSA-N	287.771	4.500	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	7164343	RTCVJQNPZWUDSI-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1ccc2ccccc2c1	7208249	YMXXGFDAGSOLRR-SFQUDFHCSA-N	279.339	4.090	50	20	CIGD	
CCCCCC[C@@H](C)C(=O)NNc1cccc(Cl)c1	742042328	NCIKJVMNZJULJY-GFCCVEGCSA-N	282.815	4.390	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@H]2CCCC[C@@H]2C)c(C)c1	743763587	QPBBDFBMJGGIOQ-XJKSGUPXSA-N	288.435	4.271	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C/c1cc2ccccc2s1	758419349	VMNMIFWUSJZGRK-SDNWHVSQSA-N	298.411	4.115	50	20	CIGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(Cl)c(OC)c1	793982386	QYRQADWOJBPLHQ-HNNXBMFYSA-N	298.814	4.008	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccc(CC)cc1	807954550	VESTVFYYQVGWLR-ZDUSSCGKSA-N	274.408	4.181	50	20	CIGD	
CC1(CC(=O)NNc2ccccc2Oc2ccccc2)CC1	846461008	JJVHCFXPPMOTPG-UHFFFAOYSA-N	296.370	4.112	50	20	CIGD	
CCCCCCC(=O)NNc1ccccc1C(F)(F)F	888408837	HRERJLLMMUBWII-UHFFFAOYSA-N	288.313	4.119	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc(C)cs1	8207239	OIGHTUAMMDZEPV-NVXXTVOZSA-N	266.369	4.462	50	20	CIGD	
C[C@@H]1CCC[C@@](CBr)(OC2CCCC2)C1	50503508	BGENQGJSXSOBQK-DGCLKSJQSA-N	275.230	4.289	50	20	CIGD	
CCCC1(C(=O)NNc2c(C)cc(C)cc2C)CCC1	759269646	MNTAKLIVNKPDTM-UHFFFAOYSA-N	274.408	4.025	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)C1CCCCC1	767715238	VFFFMJPGTWBONL-PTNGSMBKSA-N	279.339	4.489	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCCCC#N	812765900	ZBKBSULPPSULEN-UHFFFAOYSA-N	287.407	4.036	50	20	CIGD	
FS(F)(F)(F)(F)c1cccc(C=NNC2CC2)c1	905459504	FPGULWWMPPQFCL-UHFFFAOYSA-N	286.269	4.430	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)Cc1c[nH]c2ccccc12	915953569	NPSMDFMFZMUTDO-ZDUSSCGKSA-N	299.418	4.029	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccnc2C)cc1	171418310	RCQQBISGFNRISW-LDADJPATSA-N	290.366	4.132	50	20	CIGD	
CC[C@](F)(CBr)c1ccc(Cl)cc1	409429224	QFTQDTYBMGGPHP-JTQLQIEISA-N	265.553	4.310	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccccc1C1CC1	750818491	VGTWIIQXJGCOQE-WJDWOHSUSA-N	267.372	4.476	50	20	CIGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	752810115	ONJOKXORYKHQMN-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cnc(C(C)C)s2)n1	758418859	RVDXGYKGJNOJPI-ONNFQVAWSA-N	275.402	4.096	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)CC(C)C)c1	769730205	XFHACDGXUFSBPM-NTEUORMPSA-N	273.401	4.321	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)o1	783688114	SOHPTVKXPOSFEC-CLFYSBASSA-N	291.759	4.347	50	20	CIGD	
CCCC(C)=NNC(=O)c1ccc(OCCC(C)C)cc1	916285315	FHRGXUBDUZOTKY-UHFFFAOYSA-N	290.407	4.017	50	20	CIGD	
C[C@H](c1cccs1)N(C)C(=O)C1CCC(Cl)CC1	1527460755	FAQQQVKOBQSSCZ-VOMCLLRMSA-N	285.840	4.065	50	20	CIGD	
C[C@H]1CCC[C@@H](OC2(CBr)CCCC2)C1	50481545	UJZIASVLWDDLSY-NWDGAFQWSA-N	275.230	4.289	50	20	CIGD	
Cc1cnccc1NC(=O)CCCC[C@@H]1CCSS1	107288648	QGJIGTVGHGUHEN-GFCCVEGCSA-N	296.461	4.043	50	20	CIGD	
CC(C)Cc1[nH]nc(C2CCCC2)c1CBr	409443897	WGIXLFGUOWXDAD-UHFFFAOYSA-N	285.229	4.161	50	20	CIGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cc2ccccc2o1	769587139	YFHPEXSEIYXXJJ-CHWSQXEVSA-N	298.386	4.365	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776720065	GVZUUVNREXAFTH-BUBXLPKJSA-N	265.715	4.001	50	20	CIGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccccc1F	779757593	HRXQMPVYHGMSQO-LBPRGKRZSA-N	278.371	4.004	50	20	CIGD	
COC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)cc1	789128412	SWHNGYKBPYWGLP-XNTDXEJSSA-N	297.741	4.087	50	20	CIGD	
N#C/C(=C/c1ccco1)C(=O)c1c[nH]c2cc(Cl)ccc12	55040317	HJLNKUYPCOLVBS-POHAHGRESA-N	296.713	4.204	50	20	CIGD	
CC[C@@H](CCl)Cc1ccc(Br)s1	85045193	LCODVRXVSZATTL-SSDOTTSWSA-N	267.619	4.318	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2coc3ccccc23)n1	160219626	BYQBUHGEEMUQMK-IZZDOVSWSA-N	266.325	4.262	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	729149186	GMUJEHPUIWIFGS-OQLLNIDSSA-N	297.398	4.312	50	20	CIGD	
O=C(C[C@@H]1C=CCC1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421057	BHJWXRQABWPWCT-GFCCVEGCSA-N	297.310	4.010	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1C	773171031	KVDATTUFUSBFAQ-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
C#CCCCCCC(=O)NNc1ccc(Cl)cc1Cl	780663252	VZYFZGRYYMMFHH-UHFFFAOYSA-N	299.201	4.020	50	20	CIGD	
CC[C@H](C)[C@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780808357	FYGFXMCQJLHGNN-STQMWFEESA-N	276.424	4.109	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)C1CCCC1	781554787	WAFIGPYPHKRYQA-GHXNOFRVSA-N	277.726	4.145	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	8117730	BXVVQRQBXRWGIO-ZGVVKDNPSA-N	281.311	4.094	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)o1	8117923	MEYWXJGTEMSPPH-DHQBTWJTSA-N	295.313	4.332	50	20	CIGD	
CCCCCCC(=O)NNc1cccc(C(F)(F)F)c1	728716040	GDBMSVDKWDCIHD-UHFFFAOYSA-N	288.313	4.119	50	20	CIGD	
C[C@@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)C[C@H](C)C1	747764143	MTLGTPVBLRAKJB-AOOOYVTPSA-N	296.773	4.021	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OC(C)C	794874012	IPIOJDDNIJGAFM-RVDMUPIBSA-N	285.387	4.386	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(F)ccc(F)c1Cl	863184609	NKZYHPXLFXTRCZ-GTUWVTDSSA-N	283.705	4.140	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccccc1C	917579130	DNWPYGRSDZMHGN-UHFFFAOYSA-N	274.408	4.461	50	20	CIGD	
CC[C@H](C)O[C@]1(CBr)CCC[C@H](C)C1	50503474	OIBUDGGIHNMSTR-SDDRHHMPSA-N	263.219	4.145	50	20	CIGD	
CCCc1cc(C(=O)NNc2cccc(C)c2)sc1C	78240144	ONBNWFSLWLBSBS-UHFFFAOYSA-N	288.416	4.074	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	172692640	QKQUIFULJFTAQA-KAQJVSAMSA-N	293.313	4.200	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1cccc(F)c1	194531994	DSTABFLYICQULC-QPEQYQDCSA-N	285.705	4.269	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccccc1OC(F)(F)F	209224480	XVLZSTDFZCXVQR-FLIBITNWSA-N	297.276	4.107	50	20	CIGD	
C[C@@H]1C[C@@H](CC(=O)NNc2ccc(F)cc2)CC(C)(C)C1	727367989	LHVCIZMJUQFFKP-OLZOCXBDSA-N	292.398	4.121	50	20	CIGD	
Cc1ccc(NC(=O)NNc2cccc(Cl)c2)c(C)c1	775405540	DLOHOFIHEVPVPG-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)C1CCCC1	781555258	DNYBPHUUGMHXOK-MDWZMJQESA-N	259.736	4.006	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	794873153	BNOQCJYXTFYVRF-YRNVUSSQSA-N	279.742	4.391	50	20	CIGD	
CCCN(Cc1ccc(OCCCCl)cc1)C1CC1	811455784	UKEFCYJAIYMYEB-UHFFFAOYSA-N	281.827	4.069	50	20	CIGD	
Cc1cccnc1NCc1ccc(OCCCCl)cc1	811474514	KIQAVJHLYGUSEH-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
CC(C)(C)n1cc(/C=C(/C#N)c2nc(C3CC3)cs2)cn1	843265476	NSTJCUHNIIDFJW-MLPAPPSSSA-N	298.415	4.036	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccsc1Cl	1321825606	NYRUCSISZKEKSI-XYOKQWHBSA-N	287.771	4.500	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1)c1ccc2ccccc2n1	97146999	NEYDWOLCVMZPKD-PTNGSMBKSA-N	274.298	4.438	50	20	CIGD	
CC1(CC(=O)NNc2cccc3cnccc23)CCCCC1	178851719	NWQBKOZTKAZPNU-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)o1	210993012	JNDSUIQTEVLSPS-UFLKPIKFSA-N	289.338	4.343	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2cc(C)c(C)cc2C)c(C)s1	287202344	LYJOROSFKDFQSE-QINSGFPZSA-N	297.427	4.257	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)ccc1F	735618575	CHZRVAZMODBQED-ZROIWOOFSA-N	291.329	4.383	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1cccc(C)c1	740922817	YKQZILKWWXCJQX-OAHLLOKOSA-N	276.424	4.435	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)C(CC)CC)cc1F	780004326	LJBOLWVBSVJCAZ-ZROIWOOFSA-N	289.350	4.137	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(C#N)c2)s1	797398915	MXUUQPCNHOGRNP-ZSOIEALJSA-N	293.395	4.376	50	20	CIGD	
C=CCC[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccco1	857081798	IOUCMGGJTAOCLZ-IACUBPJLSA-N	298.224	4.050	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1	915990783	XQKGJSSFTLYOIG-XNTDXEJSSA-N	281.380	4.409	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)c(F)c2)n1	49391236	NZBYQNWYZHULKX-WMZJFQQLSA-N	278.739	4.308	50	20	CIGD	
C[C@@H](CBr)CCCOCc1ccccc1	306192362	ZRRCDVLQWQGQBN-GFCCVEGCSA-N	271.198	4.014	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1C	731155820	UPOBUMSQFZWWBN-LFIBNONCSA-N	287.366	4.254	50	20	CIGD	
Cc1cc(C)c(NC(=O)NNc2ccccc2)c(Cl)c1	769932485	PPDVJFQARLRTLN-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(C)CCCC1	794947604	AOLOJILWELYLQV-UHFFFAOYSA-N	274.408	4.142	50	20	CIGD	
O=C(NN=C[C@@H]1CC=CCC1)c1ccc(Cl)cc1Cl	916360452	SZAXMDRBZZTTLI-SNVBAGLBSA-N	297.185	4.065	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CC[C@H]2CCCC[C@H]2C1	916361349	YUMXOZKCYVVHGE-CABCVRRESA-N	284.403	4.071	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1cccc(Cl)c1	917571251	FPWFKIIOEPUSHM-UHFFFAOYSA-N	280.799	4.416	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	28424231	IAZJJKXUUQQTBL-XYOKQWHBSA-N	292.363	4.328	50	20	CIGD	
CCCO[C@H](CBr)c1cccc(Cl)c1	50479794	BHYMDDIZQTUTJR-LLVKDONJSA-N	277.589	4.203	50	20	CIGD	
Cc1ccccc1C(=O)NNc1c(Cl)cccc1Cl	132907659	DCXASUQVOBTNOR-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
N#C/C(=C/c1cccs1)C(=O)c1c[nH]c2ccccc12	206854569	FYVRPPZKOARWSU-FLIBITNWSA-N	278.336	4.019	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/C=C\c2ccccc2)c1	212801798	VPORQXPPHHRISM-TXIPFUBCSA-N	289.334	4.041	50	20	CIGD	
ClCc1nn([C@@H]2CCCCO2)c2ccc(Cl)cc12	328578253	FMERBZWNHKNJIC-ZDUSSCGKSA-N	285.174	4.128	50	20	CIGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)C1CCCCC1	767712240	CNXOHMJLAYVGCU-FOWTUZBSSA-N	290.366	4.291	50	20	CIGD	
C=CCC(CC=C)C(=O)NNc1c(C)cccc1C(C)C	812768847	JHYWZDKNQUHENM-UHFFFAOYSA-N	286.419	4.330	50	20	CIGD	
CC(C)(C#N)CCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852525221	WAUJOZCJVIXGDF-AWEZNQCLSA-N	296.531	4.022	50	20	CIGD	
C[C@@H](C=NNC(=O)c1ccccc1Cl)C1CCCCC1	1326228339	XBWMPTQYTLZRRD-LBPRGKRZSA-N	292.810	4.272	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1CC(C)C	7155343	AWZAQJPMUWSRDF-LICLKQGHSA-N	279.387	4.220	50	20	CIGD	
Fc1ccccc1CO[C@@H]1CCCC[C@@H]1Br	68954041	OWJDMPYALSDQST-WCQYABFASA-N	287.172	4.048	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)c(C)n1C1CC1	125408618	VEJADIXRNNTOBF-DHDCSXOGSA-N	284.403	4.352	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1cc2ccccc2s1	758415946	MUKDJEANCXBGGR-RAXLEYEMSA-N	285.368	4.152	50	20	CIGD	
CCC1(C(=O)NNc2ccc3ccccc3n2)CCCCC1	764314313	TXADUHJABVXEDS-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
COc1ccsc1/C=C(/C#N)C(=O)c1cc(C)cc(C)c1	764417166	NIELZLGDMMAQOS-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1	767712274	CUNYDDIIDHCASF-FOWTUZBSSA-N	283.371	4.142	50	20	CIGD	
CCC(C)(CC)C(=O)NNc1ccc(Cl)cc1Cl	768300595	UGVZVTBPSUMMKN-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1ccccc1F	779796853	CSQPVXGGKWDFKJ-WEVVVXLNSA-N	291.734	4.330	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc2ccccc2c1	797343689	ZYKSCEQMTUEVQJ-QGOAFFKASA-N	292.382	4.053	50	20	CIGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cc(C)cs1	863155796	YTTKSJYIHWJJDW-LBPRGKRZSA-N	278.421	4.133	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1ccc(C)s1	729849621	LECTWVRMZWKZOE-RAXLEYEMSA-N	284.384	4.058	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)s1	731155697	QBGHRGWLCRYTIO-BENRWUELSA-N	293.395	4.261	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)c(C)c1	741467658	PVGSHGQFMMUKNZ-OVCLIPMQSA-N	268.385	4.441	50	20	CIGD	
CCCCCCCC(=O)NNc1ccc(Cl)cc1	749271000	LURXUBRYABJKIZ-UHFFFAOYSA-N	268.788	4.144	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@H]1c1cccs1	750600527	ZOMBOJUFZMSCMK-DDITZMBXSA-N	280.396	4.450	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C2CCCCC2)cc1	780802498	NAOIJWXAHNJLFY-UHFFFAOYSA-N	274.408	4.008	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781555028	BPMTZJDUQDEXIE-FOWTUZBSSA-N	283.371	4.142	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(C#N)s2)s1	797397653	AHAFCLPGBYAFMM-POHAHGRESA-N	299.424	4.438	50	20	CIGD	
C#CCCCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844344581	CQFRNUWVIQCLJW-UHFFFAOYSA-N	295.543	4.134	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cc2ccccc2s1	255391509	CMNWYBBVYKFDBZ-UKTHLTGXSA-N	269.369	4.423	50	20	CIGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ccccc2)cc1	738507231	HCDZLOZNNDDQRW-HNNXBMFYSA-N	296.414	4.447	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccccc1C1CC1	750818490	VGTWIIQXJGCOQE-LFIBNONCSA-N	267.372	4.476	50	20	CIGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cc2ccccc2o1	779775127	VUCLBOCBNCLGLD-GFCCVEGCSA-N	284.359	4.119	50	20	CIGD	
Cc1cncc(C(=O)/C=C\c2cccc(CCl)c2)c1	799893753	WOJMBTAVHLMOBF-WAYWQWQTSA-N	271.747	4.025	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	125785704	JMEBWSXXHMOCGO-SDNWHVSQSA-N	279.339	4.469	50	20	CIGD	
CCC1CCC(=NNC(=O)CCCc2ccccc2)CC1	727685227	DUVCSVGUTAHSES-UHFFFAOYSA-N	286.419	4.082	50	20	CIGD	
CCCCc1ccc(NC(=O)NNc2ccccc2)cc1	769923345	XVPJIBWLTJCQFL-UHFFFAOYSA-N	283.375	4.178	50	20	CIGD	
N#C/C(=C\c1ccc2cnccc2c1)c1nc2ccccc2[nH]1	779220383	AHIISWRKBUSLEW-MHWRWJLKSA-N	296.333	4.175	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc2c(c1)COC2	799891928	JMHYABLUIXAGSU-QPJJXVBHSA-N	298.769	4.352	50	20	CIGD	
C/C(N)=C(/C#N)c1nc(-c2cc(C)c(C)c(C)c2C)cs1	806553821	ZQZGGQXBOZZWND-FYWRMAATSA-N	297.427	4.257	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	6758780	HOQIVYNGRCTPAW-ATVHPVEESA-N	291.350	4.184	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1ccsc1	255510216	PTYYKYVMXXQCPR-CXUHLZMHSA-N	279.364	4.027	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)cc(C)c1	741475223	WITGYBQSANXUTJ-KNGSKEOJSA-N	255.361	4.216	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	756744381	HPZYFRXQVBOJOG-OWCLPIDISA-N	286.419	4.045	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)o1	767714071	OFXJBMGOKIOUED-JUICJWRVSA-N	283.371	4.459	50	20	CIGD	
CCCCC[C@@H](CC)C(=O)NNc1cccc2cnccc12	775781470	DGFXFYJAAWZZJY-CQSZACIVSA-N	299.418	4.284	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc4c(c3)CCC4)[nH]c12	1252172399	KCBHMLZKKJGHEZ-BOPFTXTBSA-N	299.377	4.424	50	20	CIGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)c1nc2ccccc2[nH]1	76106277	BAZQTJRMIGJTIZ-YHYXMXQVSA-N	299.255	4.044	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)ccc1C	726119085	TZGIRBNWOCYPAA-YBEGLDIGSA-N	255.361	4.216	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12	726594707	NCPJYKATBCPBEG-WZMONFQBSA-N	293.366	4.371	50	20	CIGD	
N#C/C(=C\c1ccco1)c1nc2cc(F)ccc2s1	730261142	YCMJGWNFRZQXQK-RMKNXTFCSA-N	270.288	4.093	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C)cc2C)cc1	764885103	HFTZNOIXYBJNQO-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C#N)c(C)c2)s1	766288724	FDBZZQXNGXFLHC-OVCLIPMQSA-N	292.363	4.027	50	20	CIGD	
CCC[C@@](C)(CC)C(=O)NNc1nc2ccccc2cc1C	793779215	LBUMKTSMSMXEKE-GOSISDBHSA-N	299.418	4.203	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	794880506	VEBAYOKXHRYCPB-YRNVUSSQSA-N	279.742	4.391	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccoc1	798230291	OOZXMETXHBMBAZ-WZUFQYTHSA-N	292.121	4.376	50	20	CIGD	
Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1C	812763053	NUAUFELPDQHQFX-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
BrC[C@H](OC1CCCC1)c1ccccc1	50480414	ORBHVSYRPRPNGW-ZDUSSCGKSA-N	269.182	4.082	50	20	CIGD	
Cc1cc([C@@H](C)NC[C@H](C)CBr)c(C)s1	152772078	ALZORHIEDAVTER-PSASIEDQSA-N	290.270	4.047	50	20	CIGD	
C=CCOc1ccc(/C=C(\C#N)c2ccccn2)cc1Cl	171157415	WLWHQDHSYYQXGL-GXDHUFHOSA-N	296.757	4.364	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1	255901043	IILAVQRQPXTAGI-GXDHUFHOSA-N	290.278	4.405	50	20	CIGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(Cl)cc1Cl	780991194	DDFAELWMMRWATC-CMDGGOBGSA-N	287.190	4.183	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2ccncc2s1	849180086	WTTXGNHHSCHLMI-WQLSENKSSA-N	284.384	4.209	50	20	CIGD	
O=C(NN=C1CCC(c2ccccc2)CC1)C1CCCC1	914836453	MPWLVNQJSKKNPZ-UHFFFAOYSA-N	284.403	4.007	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)c(C)n1C1CC1	918733818	VEJADIXRNNTOBF-OQLLNIDSSA-N	284.403	4.352	50	20	CIGD	
CC(C)[C@@](C)(CBr)COCc1ccccc1	230090908	YAUHLKQQOLMDDT-AWEZNQCLSA-N	285.225	4.260	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C)c(C)c2)s1	729820692	VYTCNALYRAPRAY-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
N#CC1=CCN(Cc2ccc(C3CCCCC3)cc2)CC1	767120050	QZFZVAOTGXYWMA-UHFFFAOYSA-N	280.415	4.390	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(C)o1	767886579	KYCHLTSBUHSJFM-VGOFMYFVSA-N	285.730	4.340	50	20	CIGD	
CC1CCC(=CC(=O)NNc2c(F)cccc2Cl)CC1	770191338	TZASPUVHKJMFFY-UHFFFAOYSA-N	296.773	4.059	50	20	CIGD	
COc1cccc(C(=O)/C=C\c2cccc(CCl)c2)c1	799889334	MPITZKYWOHHKPY-HJWRWDBZSA-N	286.758	4.330	50	20	CIGD	
CC(=NNC(=O)C(C)C)c1cc2c(ccc3ccccc32)o1	916327376	JQGDBORLIVBBAO-UHFFFAOYSA-N	294.354	4.082	50	20	CIGD	
C=CCN(Cc1cccs1)C(=O)C1CCC(Cl)CC1	1346256172	NXDTYYLNAJWWKN-UHFFFAOYSA-N	297.851	4.060	50	20	CIGD	
Br[C@H]1CCCC[C@H]1OCC1CCCCC1	52147210	AXTVHAQQVCQRKW-QWHCGFSZSA-N	275.230	4.289	50	20	CIGD	
CC[C@H](CC(=O)NNc1cccc(C)c1)c1ccccc1	109427310	WSMGGINXORVIOP-OAHLLOKOSA-N	282.387	4.022	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(C)c1	779704708	WUQSLFOYHMRSMM-GARZTLJTSA-N	261.752	4.171	50	20	CIGD	
Cc1csc(C(=O)NN=C2CC(c3ccccc3C)C2)c1	863155456	LWSIWPKNHQKZFK-UHFFFAOYSA-N	298.411	4.028	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cnn(C3CCC3)c2)n1	899344010	IYSQLNFRHKZMQR-MLPAPPSSSA-N	298.415	4.252	50	20	CIGD	
O=C(NN=C[C@@H]1CC=CCC1)c1c(Cl)cccc1Cl	727781097	DMQMSOIRZXWNLB-SNVBAGLBSA-N	297.185	4.065	50	20	CIGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3occc3C)n2)cc1	742350288	VYRVABDAQGMEPT-NTEUORMPSA-N	291.310	4.011	50	20	CIGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](C(C)(C)C)CC2)o1	746578490	NTGNEZUEOZJMJQ-CYBMUJFWSA-N	290.407	4.300	50	20	CIGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)C(C)(C)C	767340526	ADEMJQTYXNEGKG-NTCAYCPXSA-N	285.387	4.388	50	20	CIGD	
Cc1ccc(NC(=O)NNc2ccccc2Cl)cc1C	769923449	ODMWYOMJMBUEOL-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCCC(CC)=NNC(=O)c1c(Cl)cccc1Cl	776180003	ITMNUADPYCARHE-UHFFFAOYSA-N	287.190	4.289	50	20	CIGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)cn1	154902600	JOPRIZNCGRYDBG-ZDUSSCGKSA-N	296.461	4.043	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c(C)c1	732716278	MXLBQGDQLNYYJJ-SFQUDFHCSA-N	296.414	4.002	50	20	CIGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)CC(C)C	767351471	BTFIFYHZZVPAAF-VBKFSLOCSA-N	285.387	4.388	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)c1cccc2ccccc12	786667813	AZAKETMCDHAZES-RERGGYADSA-N	291.350	4.304	50	20	CIGD	
CCc1ccc(NC(=O)NNc2ccccc2)cc1Cl	806681370	XYVUOSCSEGMQFG-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814188573	OBFGPJPNGUGMJF-BDGCEDQBSA-N	297.398	4.301	50	20	CIGD	
C[C@H](O[C@H]1CCCC[C@@H]1Br)c1ccccc1	50502818	VTAVNVJNHNTIGG-UBHSHLNASA-N	283.209	4.470	50	20	CIGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCC1	129559864	FXFIIXGJYUFHDS-DGCLKSJQSA-N	287.494	4.005	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)o1	155157249	VYXDSLAJKIQMKJ-UVTDQMKNSA-N	294.354	4.005	50	20	CIGD	
N#C/C(=C\c1cccc(O)c1)c1nc2cc(F)ccc2s1	730151098	QXRKWAWQZVHEHU-IZZDOVSWSA-N	296.326	4.205	50	20	CIGD	
Cc1ccc([C@H]2CCCN2C[C@@H](C)CBr)cc1	770645765	STSAZXJJDJPUDP-DZGCQCFKSA-N	296.252	4.163	50	20	CIGD	
CCCC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CC1	791723219	SBKIININKAIANY-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1sccc1Cl	794873932	IGRZRMXLLRGWKJ-VQHVLOKHSA-N	267.781	4.314	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc3c2CCC3)n1	844275394	VXMKSRKOZWTHRB-ZSOIEALJSA-N	266.369	4.004	50	20	CIGD	
Cc1ccc(NNC(=O)c2cccc(C(C)(C)C)c2)cc1	848371655	ZJXKDLSLOCKALY-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(C)c2)cc1	1330802476	NKLYAYUZVSHMLY-LZYBPNLTSA-N	297.379	4.015	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	1977621	HVVWOBPUBGNAFA-XYOKQWHBSA-N	270.313	4.029	50	20	CIGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1	60422077	BWQKSQFCODXHQO-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
CC(C)[C@](C)(CCl)CCOCc1ccccc1	306743957	HSRMKQVRDMRGEZ-HNNXBMFYSA-N	254.801	4.494	50	20	CIGD	
N#Cc1cnccc1/C=C\c1ccc(OCCCCl)cc1	811694028	OYDPONSVOJEZKC-DJWKRKHSSA-N	298.773	4.131	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1	1325539002	MAXHSADTMOLYSG-GHRIWEEISA-N	296.414	4.199	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1csc2ccccc12	128081066	GKPQWZNTMPQHGK-XFFZJAGNSA-N	255.342	4.033	50	20	CIGD	
CC(C)Cn1cc(CBr)c(-c2cccs2)n1	409443455	NHALQWWXEZOGQA-UHFFFAOYSA-N	299.237	4.163	50	20	CIGD	
C[C@@H](CC=NN(C)C(=O)OC(C)(C)C)c1ccccc1	494002189	NWEBQBMXICXPMW-ZDUSSCGKSA-N	276.380	4.033	50	20	CIGD	
Cc1cccc(C)c1NC(=O)NNc1cccc(Cl)c1	775432607	LFBFZYXFQYHCRH-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)c1nc2ccccc2[nH]1	790101420	NQAIHTJNIOTCCM-JXMROGBWSA-N	285.759	4.342	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2scc(C)c2Cl)c1	790804348	OEQSDTFYTKYICN-UHFFFAOYSA-N	294.807	4.084	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1	11297348	KRBMRNPXUULOCE-OQLLNIDSSA-N	281.742	4.438	50	20	CIGD	
CCCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1	34889003	PKQMJXBSFBHTCW-SSZFMOIBSA-N	278.355	4.325	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(C(=O)O)c2)n1	126458717	BNSSUZRWBMAJNT-NTUHNPAUSA-N	298.367	4.029	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)c1ccsc1	254972215	MJCNVWUSJIVQEK-WDZFZDKYSA-N	291.734	4.330	50	20	CIGD	
C[C@H](CC(=O)NNc1ccc(F)cc1F)C1CCCCC1	733363104	NUXTZSVXPZJBIF-LLVKDONJSA-N	296.361	4.014	50	20	CIGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(C)c1	735332428	ZYXBORXNWGZOOZ-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
COC(=O)/C(C#N)=C\c1ccc(-c2cc(C)cc(C)c2)cc1	741464635	QHTAGKQJQGKGOA-WQRHYEAKSA-N	291.350	4.050	50	20	CIGD	
Cc1cc(C)c(NNC(=O)CCC2CCCC2)c(C)c1	743763430	JCXNPBVTLACSSA-UHFFFAOYSA-N	274.408	4.025	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	767728399	GANBYKQDHLQJNU-VPMLRQHESA-N	279.742	4.391	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)c1sccc1C(C)C	771692535	DNYAVFYNFREVGS-UHFFFAOYSA-N	292.379	4.076	50	20	CIGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)c1ccsc1	776720181	ITFZMQCOCZAHKP-QDEBKDIKSA-N	291.734	4.330	50	20	CIGD	
C[C@@H](c1ccncc1)N(C)CCO[Si](C)(C)C(C)(C)C	788021434	PHGNTRMOWYTGAN-AWEZNQCLSA-N	294.515	4.096	50	20	CIGD	
CCCN(N=C[C@H]1CCCC[C@H]1C)C(=O)OC(C)(C)C	794993518	YELIHFCJUHEFKQ-ZIAGYGMSSA-N	282.428	4.446	50	20	CIGD	
Cc1ncsc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797406476	GQTMPAYCIQWVHF-BJMVGYQFSA-N	289.429	4.270	50	20	CIGD	
CCc1ccc(C(=O)NN=C/C(C)=C/c2ccccc2)cc1	916329365	GCYMSYJTLZDKOP-SHQWNLCCSA-N	292.382	4.068	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(O)cc1	57560049	CJNCQIZSTXNKBW-CYBMUJFWSA-N	297.445	4.045	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2cc(OC)ccc2o1	160524415	CYBQCJRGIHCTKC-LQELWAHVSA-N	297.354	4.354	50	20	CIGD	
CCCC(=NNC(=O)c1ccccc1C)C1CCCCC1	727777969	VROJPGSIRJIFFH-UHFFFAOYSA-N	286.419	4.461	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(CC)cc1	741469718	MISNIBMNMKZQOG-XDUBLRSXSA-N	255.361	4.161	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)cccc2C)cc1	755571160	WUULMKFRNXCEDX-LFIBNONCSA-N	290.366	4.158	50	20	CIGD	
CCCCC[C@H](C(=O)NNc1cc(Cl)ccn1)C(C)C	778453126	KRGHXPPDTUXJJD-ZDUSSCGKSA-N	297.830	4.031	50	20	CIGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780808356	FYGFXMCQJLHGNN-QWHCGFSZSA-N	276.424	4.109	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)C1CCCC1	781553085	JOHKFGYQGFPVPG-WQLSENKSSA-N	277.726	4.145	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)o1	918733774	TWOWBPDBERICCA-VXYVMLOTSA-N	271.360	4.315	50	20	CIGD	
O=C(CCl)Nc1ccc(CCCc2ccccc2)cc1	1319923318	DRYIDLLZJQEMTF-UHFFFAOYSA-N	287.790	4.039	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccccc1OC(F)F	60422262	QONRCFCSHITBBV-WQLSENKSSA-N	293.313	4.200	50	20	CIGD	
C[C@H](CBr)CCCOCc1ccccc1	140980932	ZRRCDVLQWQGQBN-LBPRGKRZSA-N	271.198	4.014	50	20	CIGD	
CC(C)(C)CC(=O)NN=Cc1ccc(-c2ccccc2)cc1	728430620	DUVQQLFGJCAQQV-UHFFFAOYSA-N	294.398	4.240	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cnc(C2CCC2)s1	760210216	KSLATEGABRKWOM-GHXNOFRVSA-N	298.367	4.102	50	20	CIGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccccc1	790604627	ULTJCMKIADVJNH-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
COc1ccc2c(c1)C(=O)/C(=C\c1cccc(CCl)c1)C2	799892362	OMFIEHGLGQTQFE-NVNXTCNLSA-N	298.769	4.256	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1Cl	863182518	OUXFYAFFEPMGNB-KPKJPENVSA-N	291.778	4.261	50	20	CIGD	
C[C@H]1CCC[C@@](CBr)(OC2CCCC2)C1	50503510	BGENQGJSXSOBQK-WCQYABFASA-N	275.230	4.289	50	20	CIGD	
CC[C@@H](CBr)c1cccc(Br)c1	86368140	AIKCQZCQPCOPHQ-QMMMGPOBSA-N	292.014	4.338	50	20	CIGD	
Cc1cccc(NNC(=O)c2oc3c(C)cccc3c2C)c1	97106090	YIOPQASLGPSRSV-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	125438222	GKEOYANJCTXCIJ-ZSOIEALJSA-N	254.358	4.133	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)n1	176919428	JAQFZSXODNZGLM-GHXNOFRVSA-N	299.355	4.239	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)cc1C	794873766	HCPSQVOIMOTTCL-UKTHLTGXSA-N	259.324	4.046	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1sccc1O	799893693	VNSZEKXOXUHAPG-PLNGDYQASA-N	278.760	4.089	50	20	CIGD	
ClCCCOc1ccc(CN2CCC[C@@H]2C2CC2)cc1	811462469	YZZWOBLVDQHZTI-QGZVFWFLSA-N	293.838	4.069	50	20	CIGD	
CCCC(C)=NNC(=O)c1cc2c(s1)CCCCCC2	916350658	ZUPBPXQZWUKDQH-UHFFFAOYSA-N	292.448	4.313	50	20	CIGD	
CCC1(c2ccccc2)CC(CBr)C1	1898223432	PVDOVOXTPBBTAG-UHFFFAOYSA-N	253.183	4.139	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)c(C)c1	212131435	ZECYOZVTUVFUKA-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)c1ccccn1	761377096	QBTGTPLEOIIRJV-CLFYSBASSA-N	280.274	4.226	50	20	CIGD	
CCC[C@@H](C=NN(C)C(=O)OC(C)(C)C)c1ccccc1	769570797	TZMYDMGWQGFKIY-HNNXBMFYSA-N	290.407	4.423	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	773170187	IQLLVOJSJTWETD-ZSOIEALJSA-N	297.304	4.372	50	20	CIGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)C1CCCC1	781555970	SQDSYFHUEOWCBF-LCYFTJDESA-N	293.288	4.372	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1cc(C)cc(C)c1	918735653	LQCKTDMSYSWESN-SFQUDFHCSA-N	292.382	4.305	50	20	CIGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccs3)n2)cc1	7212194	ZMSVJTFRXSMQIR-UKTHLTGXSA-N	293.351	4.171	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	726428953	QQDHMFARNJKNNU-SUCHYCSPSA-N	296.414	4.199	50	20	CIGD	
CC[C@@H]1CCCC(=NNC(=O)c2cccc(Cl)c2)C1	734977930	NIGRDMUYDJACDY-LLVKDONJSA-N	278.783	4.026	50	20	CIGD	
C[C@@H]1CC(=NNC(=O)c2cccc3ccccc23)C[C@@H](C)C1	747764062	LOXFYRGLVUNKEI-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
CC/C(=C\C(=O)NNc1cccc(F)c1)c1ccc(C)cc1	748088888	GNEOJFKGHGTTTN-SDNWHVSQSA-N	298.361	4.071	50	20	CIGD	
CC(C)c1ccc(-n2ccnc2SC/C=C\C#N)cc1	763297487	FZHRYKUWBWGMFM-ARJAWSKDSA-N	283.400	4.168	50	20	CIGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(C(C)(C)C)cc1	781042264	NMJABHMPALJWAJ-SEYXRHQNSA-N	274.408	4.174	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnc(C(C)C)s1	794874754	OBSRPHUFFXAQNB-XFFZJAGNSA-N	276.405	4.179	50	20	CIGD	
C[C@@H]1CC[C@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	800812120	VQTRGRCUQZKCMF-ZJUUUORDSA-N	299.201	4.145	50	20	CIGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)c1ccsc1	915990295	ZCSPZBKAPCTLBU-DHDCSXOGSA-N	297.379	4.325	50	20	CIGD	
CCC(=O)c1cccc(NC(=O)C2CCC(Cl)CC2)c1	1123771140	ZYPYSIBSHDXMQC-UHFFFAOYSA-N	293.794	4.015	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccn2C2CC2)n1	1325238681	GTGXVTBZSQKLPL-XYOKQWHBSA-N	283.400	4.467	50	20	CIGD	
BrC[C@@H](OC1CCCCC1)c1ccccc1	50480376	KOVPZRSHMFGDMZ-CQSZACIVSA-N	283.209	4.472	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2ccccn2)c2ccccc12	193338145	ILGOAWAQPYPTQS-NTCAYCPXSA-N	286.334	4.308	50	20	CIGD	
BrCc1c(-c2cccs2)n[nH]c1C1CCC1	409443589	PYPNLRNRMNGWJS-UHFFFAOYSA-N	297.221	4.301	50	20	CIGD	
N#C/C(=C/c1ccccc1F)C(=O)c1ccc(Cl)s1	588424769	KOZBDJOBZSYSLB-YFHOEESVSA-N	291.734	4.330	50	20	CIGD	
N#C/C(=C/c1ccccc1)c1nc2cc(F)ccc2s1	730148755	LANOTCYGZZGJPL-WQLSENKSSA-N	280.327	4.500	50	20	CIGD	
O=C(CCCc1ccccc1)NN=C1CCC[C@H](C2CC2)C1	737431457	JDODXNCTHSGMEJ-KRWDZBQOSA-N	298.430	4.082	50	20	CIGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1cccc2cnccc12	755573720	QNVLDWIXFFCPMY-ZDUSSCGKSA-N	299.418	4.140	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCCC2)ccc1F	767713406	JTSFOLDQASCGAF-GDNBJRDFSA-N	271.335	4.191	50	20	CIGD	
C=C(CBr)CN[C@@H](CC(C)C)c1ccccc1	791491035	VTBDDSRXDALFTI-HNNXBMFYSA-N	296.252	4.315	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)cs1	799754126	BVNBGORWANMWJK-UHFFFAOYSA-N	294.807	4.029	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccsc2)cc1C	809146385	OUZIJNFJLMICPH-NVNXTCNLSA-N	267.353	4.155	50	20	CIGD	
Cc1cc(Cl)cc(/C=C(/C#N)C(=O)C(C)(C)C)c1	834398450	JOYOBSCIQJRTHJ-GHXNOFRVSA-N	261.752	4.171	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(F)c(F)c1	128119354	RLKOWSSXDRZFRW-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(F)cc2)c1C	727655270	RYMQMNKMABDLJF-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	729822961	FKEOBRMBUWNTMZ-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)C1CCCCC1	780005649	VPBHYNBJTLECLP-WQRHYEAKSA-N	290.366	4.291	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccsc2Cl)n1	790099158	HGWYEVFHNQNFIH-WTKPLQERSA-N	266.778	4.231	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc2occc2c1	794691116	MDSPRXZMEQKTFT-GXDHUFHOSA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1ccccn1	794866371	OBZXCVKWWWVWDC-LCYFTJDESA-N	256.255	4.083	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)n(C2CC2)c1C	794874832	OLTQKBGNLKNOSR-XNTDXEJSSA-N	284.403	4.352	50	20	CIGD	
COc1ccsc1C(=O)/C=C/c1cccc(CCl)c1	799892022	JEIVBBRCBYGEDN-AATRIKPKSA-N	292.787	4.392	50	20	CIGD	
O=C(NN=C1CCCC12CCC2)c1ccc2ccccc2c1	834940759	CWKNZGCKPQYVPN-UHFFFAOYSA-N	292.382	4.280	50	20	CIGD	
O=C(N[C@@H]1CCCc2sccc21)C1CCC(Cl)CC1	1346580872	VTWQDZSGZVTYAE-GCZXYKMCSA-N	297.851	4.039	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1	49073498	AKVBIWYAYFNJPW-CYBMUJFWSA-N	281.446	4.339	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	194534121	KJHFKNSRXLFICU-XNTDXEJSSA-N	295.313	4.014	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1C	726429245	HJALGWPMYGBLTI-LKBVRNOZSA-N	255.361	4.134	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccccc2F)c1C	731156853	NVENNDCXUACOGP-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)c1ccccc1	747698499	KSZBIQYNABPPCI-XRGWHMLESA-N	277.298	4.172	50	20	CIGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1ccc(Cl)cc1F	766024436	APTXXYHUPMQXRE-VIFPVBQESA-N	296.773	4.021	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	782196534	BKDPWBOYLASXDO-NJQKBMNKSA-N	265.715	4.001	50	20	CIGD	
O=C(NN=C1CCC[C@H]1CCF)c1cccc2ccccc12	794911704	NUCQVWVCUCAESY-AWEZNQCLSA-N	298.361	4.085	50	20	CIGD	
CCC[C@@H](C(=O)NNc1cc(C)cc(C)c1)c1ccccc1	857494130	JMHDVZNRQQRSBK-GOSISDBHSA-N	296.414	4.330	50	20	CIGD	
CCCCCN(Cc1ccc(Cl)cc1)C(=O)CCl	1116437877	SAOCKGAUDSEYAX-UHFFFAOYSA-N	288.218	4.098	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	7164346	BFXGVYOZINNHAR-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
O=C(NNc1ccccc1)c1ccc(C2CCCCC2)cc1	98071075	PTZLQDYVQMFOBE-UHFFFAOYSA-N	294.398	4.491	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	206062920	LDEYGXINLQRTRM-LFIBNONCSA-N	271.360	4.060	50	20	CIGD	
CC(C)[C@H](C)O[C@@H]1CCCCC[C@H]1Br	251326962	NGNYJXVYLFTDAA-QJPTWQEYSA-N	263.219	4.144	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccnc2Cl)c1	255296468	YQINWGKVUOKYKU-DHDCSXOGSA-N	296.757	4.142	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	255690687	JMEBWSXXHMOCGO-KAMYIIQDSA-N	279.339	4.469	50	20	CIGD	
CCC[C@H](NC[C@@H](C)CBr)c1ccccc1	310018281	LYFRHGKVEMCGGK-JSGCOSHPSA-N	284.241	4.148	50	20	CIGD	
CCCCCC[C@@H](C)CC(=O)NNc1ccc(Cl)nc1	743819759	ZQTWVOVWONYPME-GFCCVEGCSA-N	297.830	4.175	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1C	767714571	RIPMKEURGMSAFC-LFIBNONCSA-N	283.371	4.060	50	20	CIGD	
CCC(CC)C(=O)NNc1c(Cl)cc(F)cc1Cl	768008128	UBRBFWXBWVOCRR-UHFFFAOYSA-N	293.169	4.012	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776722799	WXJRQSSMPUXQGA-WCIBSUBMSA-N	289.693	4.170	50	20	CIGD	
CCCN(N=C1C[C@H](C)C[C@@H](C)C1)C(=O)OC(C)(C)C	794994979	BWLKTIITERKSPF-CHWSQXEVSA-N	282.428	4.446	50	20	CIGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cc2ccccc2o1	797401626	LZYSSBGNYMPHKE-QWHCGFSZSA-N	298.386	4.365	50	20	CIGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1cccc(Cl)c1	810216817	PISSBZUCKALBRG-QPEQYQDCSA-N	285.705	4.269	50	20	CIGD	
CC[C@@H](C)c1nnc([C@@H](Br)C(C)(C)C)o1	1325798075	KHEZHRUDLJQMSW-HTQZYQBOSA-N	275.190	4.065	50	20	CIGD	
C[Si](C)(C)O[C@H](C#N)c1cccc(Cl)c1Cl	169925848	JQVRJQQCFYBQJY-SNVBAGLBSA-N	274.223	4.410	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc2ccccc12	726429481	KPOVHZARYDAZOV-RERGGYADSA-N	263.340	4.362	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)c1nc(C)c(C)s1	741473333	HEFWBJBMYJGBTL-IZZDOVSWSA-N	260.387	4.194	50	20	CIGD	
CC(CCCC(C)C)=NNC(=O)c1cccc2ncccc12	764686916	NGMLOCYEJXPJSS-UHFFFAOYSA-N	297.402	4.167	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(C)c1	779704707	WUQSLFOYHMRSMM-AAIQCTMTSA-N	261.752	4.171	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1	806398425	HETDXZSOMRBVST-USXIJHARSA-N	286.419	4.045	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(F)c2)cc1	184838284	DMHATVHHPZSYKA-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)c1nc2ccccc2[nH]1	195221566	ZHODXBHIMCMOAO-WEVVVXLNSA-N	285.759	4.342	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1C	726429248	HJALGWPMYGBLTI-WIWNTQSISA-N	255.361	4.134	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)c(C)c1	767712740	FXRJZGWFTBOMOX-BOPFTXTBSA-N	267.372	4.360	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)Nc2cccc(C)c2C)c1	778219250	CNPNRKAOYCBNQC-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246149	DXOFEISLEIJXED-JYRVWZFOSA-N	288.272	4.473	50	20	CIGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)c1ccccc1Cl	1116461776	WYILDXUJSVMXJO-GXTWGEPZSA-N	290.794	4.048	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccccc1Cl	7714331	KSNQBSSQFCVFAX-XYOKQWHBSA-N	271.703	4.031	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1Cl	120385342	JWWRWEULNZHNJA-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CC(C)(C)[Si](C)(C)O[C@H]1C=C(Br)CC1	210921066	ZBLQIIBCBMQEOS-SNVBAGLBSA-N	277.278	4.449	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCc2c([nH]c3ccccc23)C1	759348054	YLEAXBXXEYZZDA-JMIUGGIZSA-N	299.377	4.091	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(C)o1	767879051	SAQDRLZUOBFECR-RIYZIHGNSA-N	290.322	4.168	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(C(F)F)cc2)n1	794873521	SZJFIFCKLGNTIY-WUXMJOGZSA-N	276.311	4.453	50	20	CIGD	
O=C(NNc1ccccc1F)c1ccc(C2CCCC2)cc1	810680554	STOZMXHYVBXICO-UHFFFAOYSA-N	298.361	4.240	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)o1	843263984	GGDSJSGUFBKXCP-YRNVUSSQSA-N	270.357	4.240	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2ncccc2c1	1115813192	TXJVYNWHBXKZQJ-ATVHPVEESA-N	298.345	4.333	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(OC(F)F)cc2)n1	8079362	HHYVDXOVXQBUSB-IZZDOVSWSA-N	292.310	4.117	50	20	CIGD	
C[C@@H](CBr)Cc1ccc(Br)s1	85051996	DLQPQGYRFBYYHP-ZCFIWIBFSA-N	298.043	4.084	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1	588467525	PWPFGCNXUUKJTH-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1C	729820639	UMIQCDVTHJEHSX-NTEUORMPSA-N	297.379	4.163	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2cc(C)c(C)s2)c(C)c1	743765394	MVXFBWVRGRFUSC-UHFFFAOYSA-N	288.416	4.047	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	790220747	WNJYMLCGISTGPQ-MPMPPSQCSA-N	297.398	4.388	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1ccc(F)cc1	794685523	HXZSTLWILGZLQO-XNTDXEJSSA-N	291.281	4.362	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(OC)c1	863186423	XCWMPQLCJMXDSZ-JYVXZMADSA-N	291.778	4.261	50	20	CIGD	
C[C@@H](c1ccccc1)N(C(=O)CCl)c1ccccc1	1319921797	MUHOYOJMUKWAAO-ZDUSSCGKSA-N	273.763	4.020	50	20	CIGD	
C=CC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	1347914069	DUTUTLIZNOJKKK-LBPRGKRZSA-N	287.494	4.029	50	20	CIGD	
O=C(Nc1cccc(C(F)F)c1)C1CCC(Cl)CC1	1351122739	XIFUZBJVCHEVAT-UHFFFAOYSA-N	287.737	4.360	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	120453733	KJFZSFQKZYQAFY-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCCC2)cnc1Cl	767712070	BMABIDJTWDCWJP-ZSOIEALJSA-N	288.778	4.100	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	767713272	JMDSDMOUNGIQKF-KPKJPENVSA-N	279.742	4.391	50	20	CIGD	
CC(=NNC(=O)C1CCCC1)c1cc(Cl)ccc1Cl	914836780	XTSYPXVTNJQTCK-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
Br[C@@H]1CCCCC[C@H]1OC1CCCCC1	50502642	QKFHXTWRVOLPPE-CHWSQXEVSA-N	275.230	4.432	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccs3)c[nH]c2c1	63412925	ROAYDOYWRVCIPY-XYOKQWHBSA-N	292.363	4.328	50	20	CIGD	
CCN(CC)c1ccc(/C=C(\C#N)c2ccccn2)cc1F	172680494	ABRDPMWVSLALNB-RVDMUPIBSA-N	295.361	4.131	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)c(C)c1	588580974	WIDWWISTZHPSSD-YBEGLDIGSA-N	285.350	4.311	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1sccc1Cl	588600899	VAXBCTXHPBQWAW-YFHOEESVSA-N	267.781	4.314	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cc3cc(F)ccc3o2)n1	742349911	MDEDPFQKCWMAIS-IZZDOVSWSA-N	284.315	4.401	50	20	CIGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)C1CCCC1	781555032	BVVPCQADNYHYJK-JYRVWZFOSA-N	289.762	4.015	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1ccsc1	794687189	RVEVGICPTAUYEQ-RIYZIHGNSA-N	279.320	4.284	50	20	CIGD	
CCCN(N=C1CC[C@@H]1C1CCC1)C(=O)OC(C)(C)C	814928034	SMFHMNDZBZZETL-CYBMUJFWSA-N	280.412	4.200	50	20	CIGD	
CCC(CC)NC(=O)CCCC[C@H]1CCSS1	72777421	JWJLYZIIZCFEGG-LBPRGKRZSA-N	275.483	4.005	50	20	CIGD	
CCCc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1	130761037	BUQONDUVVGBIQJ-UHFFFAOYSA-N	282.387	4.013	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1ncccc1Cl	740927937	XOBXXPPTSZESIW-LBPRGKRZSA-N	297.830	4.175	50	20	CIGD	
CC(C)(C)CCCC(=O)NNc1ccc(Cl)c(F)c1	746696116	ZZKMHWOKBVFOGG-UHFFFAOYSA-N	286.778	4.139	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)C1CCCCC1	767712756	HAPCFTVDCMKWEH-NTEUORMPSA-N	273.763	4.396	50	20	CIGD	
C[C@@H](CBr)CN(C)[C@@H]1CCCc2ccccc21	770646414	NUTDKLJREDLIAR-SWLSCSKDSA-N	296.252	4.027	50	20	CIGD	
C=C(CC)COC(=O)CCCC[C@H]1CCSS1	773471670	DVRBFMCLVFOYCO-LBPRGKRZSA-N	274.451	4.210	50	20	CIGD	
N#Cc1ccc(C(=O)/C=C\c2cccc(CCl)c2)cc1F	799893040	WGHWMUWEBRFOPR-DAXSKMNVSA-N	299.732	4.332	50	20	CIGD	
CC(C)c1ccc(NNC(=O)C2(C(F)F)CCCC2)cc1	837052438	ACNITYHGKKPLCK-UHFFFAOYSA-N	296.361	4.079	50	20	CIGD	
CC(C)c1ccc(NNC(=O)C(C)(C)c2ccccc2)cc1	837056244	WCTRFZNRTBNTTD-UHFFFAOYSA-N	296.414	4.231	50	20	CIGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccoc1C(C)C	885127248	OYQIVLPDXLSMOZ-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	6898704	SICKOCLRMAXMJL-RVDMUPIBSA-N	279.364	4.198	50	20	CIGD	
O=C(NNc1ccc(F)cc1)Nc1cccc2ccccc12	11006611	OVTHASPMEFVZNH-UHFFFAOYSA-N	295.317	4.128	50	20	CIGD	
C[C@H](c1cccs1)N(C)C(=O)c1cccc(CCl)c1	37833492	NMEZQWYPDHYOIP-LLVKDONJSA-N	293.819	4.320	50	20	CIGD	
Br[C@@H]1CCCC[C@H]1OC1CCCCCC1	50503063	CHZJNVXRUZWYCW-CHWSQXEVSA-N	275.230	4.432	50	20	CIGD	
Cc1cccc(NNC(=O)c2cccc(-c3ccoc3)c2)c1	89689528	NRFBYXUJXBMRQZ-UHFFFAOYSA-N	292.338	4.012	50	20	CIGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	212021935	GBHGSCOLBVNXPL-UVTDQMKNSA-N	297.379	4.274	50	20	CIGD	
C[C@@H]1CN(/C(=C\C#N)c2ccccc2)[C@H]1c1ccccc1	750800623	VTMFKSUWBYVIME-MBTYJKNVSA-N	274.367	4.244	50	20	CIGD	
C#CCC[C@@H](C)OC(=O)CCCC[C@H]1CCSS1	839033858	JWHCNOQSABWTNE-OLZOCXBDSA-N	286.462	4.046	50	20	CIGD	
Cn1c(/C(C#N)=C\c2cc3ccccc3o2)nc2ccccc21	192539247	HFXXIEBODFFIQC-KAMYIIQDSA-N	299.333	4.384	50	20	CIGD	
CC[C@@H](CC(=O)NNc1cc(C)ccc1C)c1ccccc1	748402645	PFNBFILIKOBBIB-INIZCTEOSA-N	296.414	4.330	50	20	CIGD	
C/C(=C\C(=O)NNc1c(C)cc(C)cc1C)C(C)(C)C	762818023	KPGQUFNGCBYJLI-GXDHUFHOSA-N	274.408	4.047	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)s1	767713313	JTEYMCUYBOMPQG-JLHYYAGUSA-N	273.401	4.367	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1F	785363837	RGARUEKKPQBGTH-LKKYZFDUSA-N	295.313	4.037	50	20	CIGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2c[nH]c3ccccc23)C1	794459429	IVBKEKSUPVPUJZ-ZDUSSCGKSA-N	297.402	4.100	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	794875287	UFZJWWDCNNUVLU-YHYXMXQVSA-N	281.277	4.016	50	20	CIGD	
CCCN(N=C1CCCCCC1)C(=O)OC(C)(C)C	794993018	NOCCRPBMPLPUJS-UHFFFAOYSA-N	268.401	4.344	50	20	CIGD	
CCCN(N=C[C@H]1CC[C@H](C)C1)C(=O)OC(C)(C)C	794996681	UMDXAGGWCVVGEW-STQMWFEESA-N	268.401	4.056	50	20	CIGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)c1ccoc1	798231273	XHJSAKVIXSLPAS-GHXNOFRVSA-N	291.228	4.088	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(C3CC3)cc2)n1	840715456	PXXAMCNYBNVRHF-NVNXTCNLSA-N	266.369	4.393	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	172215578	ZWHLUQSLCLXGPV-MDWZMJQESA-N	285.343	4.294	50	20	CIGD	
CC[C@H](C)O[C@H]1CCCCCC[C@H]1Br	253139834	WGNYMVGKNBRQLE-TUAOUCFPSA-N	263.219	4.288	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2cccc(F)c2)c1	588597671	ZRHJGTLXTHHRGA-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1ccccc1F	750894916	YUKPUJDSEGLCLW-LCYFTJDESA-N	283.277	4.063	50	20	CIGD	
CC1(C(=O)NNc2cccc(Cl)c2)CCCCCC1	781260355	MGGDHKKDYYJZMZ-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CCCC(CCC)C(=O)NNc1ccc(Cl)c(OC)c1	790187272	ORBQWZNSUHGPHF-UHFFFAOYSA-N	298.814	4.008	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	794874842	OOGMSZZANKLIIX-YRNVUSSQSA-N	279.742	4.391	50	20	CIGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)C1CCCC1	811627964	JIPJKGSWGZVKQR-BJMVGYQFSA-N	299.317	4.433	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)c2ccccc2)cc1	837052893	MVNFWLQLFVOYSR-AWEZNQCLSA-N	282.387	4.057	50	20	CIGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1cc2ccccc2o1	853316140	IQQCSNIGKKHWIM-CYBMUJFWSA-N	296.370	4.285	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)NN=C[C@H]2CC=CCC2)cc1	254313394	XPDOUZZWFXOJRA-AWEZNQCLSA-N	284.403	4.056	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)c(C)c1	729150088	IRSLXVFEYVKMAO-NTEUORMPSA-N	259.324	4.046	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccccc2)s1	731155849	VLCGESHIJJFFDI-JLHYYAGUSA-N	267.353	4.100	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2coc3ccccc23)c(C)c1	743764002	GOQCHBDZHLUCJB-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
O=C(CC1CCCC1)NNc1cc(Cl)ccc1Cl	752812485	YPMRKMHOVWTZPA-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	767714519	QPLDHQHVWDKFRW-KAQJVSAMSA-N	288.416	4.323	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cccc3ccsc23)c1	768311026	LEQXZOCDTSBQCL-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)[C@@H](C)CC)c1	769726689	PKBIPHPMESYGTE-IGVUGNCQSA-N	273.401	4.321	50	20	CIGD	
CSc1cc(/C(C#N)=C\c2cc3ccccc3o2)ncn1	773176567	OAQKHOBYISANQT-GHXNOFRVSA-N	293.351	4.009	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	794880505	VEBAYOKXHRYCPB-XFFZJAGNSA-N	279.742	4.391	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cc2cc(Cl)cnc2o1	834421287	ORRCYMBZRTXSIH-IZZDOVSWSA-N	288.734	4.003	50	20	CIGD	
N#CC(C#N)=Cc1cccc(OCc2ccccc2Cl)c1	8220400	CQIYSZOCPIWYIU-UHFFFAOYSA-N	294.741	4.350	50	20	CIGD	
Cc1ccc(C)c(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	181141597	XVFIGRMNYYJBQF-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1Cl	588595816	VWNIJCJRBPNKAH-GHXNOFRVSA-N	261.752	4.171	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F	726428974	QVCUHZIGZJMBLH-MJWAUXSNSA-N	297.276	4.107	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	726594379	KEKXFFCXMOIFET-YRUBURHZSA-N	286.419	4.283	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761383571	CEINKZBZXIMTMV-CLTKARDFSA-N	274.172	4.187	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1	772176137	LWPINNZVESMOCN-CHHVJCJISA-N	297.304	4.317	50	20	CIGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)C2CCCC2)s1	781555021	YJQNXJYCKUZUDO-XYOKQWHBSA-N	288.416	4.107	50	20	CIGD	
CCCCc1ccc(-c2csc(/C(C#N)=C(/C)N)n2)cc1	806552891	AZGGDSUDVCKLRR-QINSGFPZSA-N	297.427	4.366	50	20	CIGD	
Fc1cc(CCCBr)cc(C(F)(F)F)c1	95629805	BRABMCCKYXTBIK-UHFFFAOYSA-N	285.078	4.172	50	20	CIGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)c1ccco1	212647425	OVALXNQPQKGGTB-CLFYSBASSA-N	292.121	4.376	50	20	CIGD	
CCCN(N=C1CCC[C@H]1CCF)C(=O)OC(C)(C)C	497211044	QWPNOIWPBGDFJW-LBPRGKRZSA-N	286.391	4.149	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1c(F)cccc1F	740926763	IPPXUABGBOBWQY-LBPRGKRZSA-N	298.377	4.405	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741841956	CUKWXANJNWJKKJ-WQLSENKSSA-N	285.318	4.484	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(Cl)ccc1F	753683544	UFQCPKWOLMGNOZ-IZZDOVSWSA-N	279.742	4.391	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1	767714499	QNGPXKHUJYJQTF-LFIBNONCSA-N	253.345	4.051	50	20	CIGD	
CCC(C)(CC)C(=O)NNc1cc(Cl)ccc1Cl	768312385	ZAMXBJSNXURLLW-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1cscc1Cl	771840136	XVNLHJGDTADOIU-YRNVUSSQSA-N	296.823	4.005	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cscc1Cl	771857331	CXPOLJGZJZNBIW-RAJVOEEQSA-N	267.781	4.314	50	20	CIGD	
O=C1Nc2ccc(F)cc2/C1=C/c1cccc(CCl)c1	799891483	FCEITSYBXNSCAM-AUWJEWJLSA-N	287.721	4.057	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc2ccccc12	834398443	JMGFLLQQULAAOM-XNTDXEJSSA-N	293.366	4.371	50	20	CIGD	
O=C(NN=C1CCCC12CCC2)c1cccc2ccccc12	834963247	SHBIQBYJSZBKBU-UHFFFAOYSA-N	292.382	4.280	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(F)ccc1F	44028406	VMHXTXDCJXDUTK-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
CC[C@@H](Cl)c1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1	122086378	IKKXKPBHCDVLTA-CQSZACIVSA-N	298.773	4.280	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C(F)F)cc1	726524101	ALNZSJJVOOHGBY-UHFFFAOYSA-N	296.704	4.035	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)/C=C/Sc2ccccc2)c1	728057385	DTXNYOUOWQMSSF-ZHACJKMWSA-N	298.411	4.053	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776721013	WSSKPAQMGPSRAO-NYYWCZLTSA-N	265.715	4.001	50	20	CIGD	
CC/C(C)=C(\C)C(=O)NNc1c(Cl)cccc1Cl	780982263	CVXAWIXXUOZWKS-CMDGGOBGSA-N	287.190	4.183	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	782201112	POUCGXNCIZSXRF-BZPKPHBRSA-N	279.742	4.391	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1	806553173	IXTJGDAHHLPUDU-KAMYIIQDSA-N	297.427	4.321	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1ccc(CC)cc1	915948591	WAUFPONWNUMDHR-CYBMUJFWSA-N	274.408	4.181	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCCc1ccccc1O	170021875	YDSBBEIUUUYOFR-UHFFFAOYSA-N	266.457	4.347	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccs2)cc1	212017342	VZSSXFJKVMRFFL-PTNGSMBKSA-N	281.380	4.490	50	20	CIGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)C1CCCCC1	747643830	QUOZBXLQZBHCRL-UHFFFAOYSA-N	296.773	4.165	50	20	CIGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(C)cc1	749194226	PLTLWHBKKNMDPG-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1cccs1	799889561	QKEKIMGIBXOUNF-VOTSOKGWSA-N	262.761	4.383	50	20	CIGD	
CC[C@H](C)c1ccc(C(=O)N(C)CC(Cl)Cl)cc1	848081607	FNVRUMHXJSXNDC-JTQLQIEISA-N	288.218	4.076	50	20	CIGD	
CN(Cc1cc2ccccc2[nH]1)/C(=C\C#N)c1ccccc1	1253399139	SLLUHGQXZYYCBP-ODLFYWEKSA-N	287.366	4.164	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2sccc2C)c(C)c1	6209824	OEUPMJVSUNMKSG-NTEUORMPSA-N	296.395	4.219	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	172692217	BGZYXMMDUCADKK-SERMCNLOSA-N	290.432	4.353	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(Cl)ccc1F	753683545	UFQCPKWOLMGNOZ-WDZFZDKYSA-N	279.742	4.391	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)C(=O)c1ccccc1	758017034	JOMBBQVVKBLNJH-DWFRYJRFSA-N	295.288	4.311	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C)c(F)c2)cc1	764891316	KOLBATFIUUVLDT-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)C1CCCC1	780006267	YCXSHVJYHGXBRJ-YFHOEESVSA-N	265.765	4.068	50	20	CIGD	
C=C[C@](C)(CC)C(=O)NNc1cc(Cl)cc(Cl)c1	791728117	GTQIWWMHKHCXMR-CYBMUJFWSA-N	287.190	4.039	50	20	CIGD	
CCCN(N=C(CC)[C@H]1C[C@H]1C)C(=O)OC(C)(C)C	841636486	LRSGYVZAFHXKDW-NEPJUHHUSA-N	268.401	4.056	50	20	CIGD	
Cc1ccc(NNC(=O)c2occc2C(C)C)cc1Cl	1323462696	QATWQUGZVHZIHH-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
Br[C@H]1CCC[C@@H]1OC1CCCCCC1	50503068	NFYJSDUYEIDMHO-RYUDHWBXSA-N	261.203	4.042	50	20	CIGD	
N#C/C(=C/c1csc2ccccc12)c1ccccn1	78350966	QMDZNOLLRYJURI-XFXZXTDPSA-N	262.337	4.360	50	20	CIGD	
N#C/C(=C/c1ccccc1)C(=O)Nc1cccc2ccccc12	206211241	CJWYWSMMENLVKX-LGMDPLHJSA-N	298.345	4.385	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C/C=C\c1ccccc1	212795283	FZACAWGARHLAGF-AYWUYTOOSA-N	288.350	4.097	50	20	CIGD	
Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]	220865306	XVEOMACMUJTFNC-UHFFFAOYSA-N	267.401	4.287	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	267476230	RZVMBMASJNUITM-GULXKOIASA-N	294.354	4.172	50	20	CIGD	
C[C@H](CBr)Cc1ccsc1Br	307119714	AEBMKUXNYZXPBD-LURJTMIESA-N	298.043	4.084	50	20	CIGD	
CCCCCC[C@H](C)CC(=O)NNc1ncccc1Cl	734247635	UIFLLMQDBREFQP-LBPRGKRZSA-N	297.830	4.175	50	20	CIGD	
CCCC[C@H](CC)CC(=O)NNc1c(F)cccc1F	735694055	BNYYBVHHWDMOEG-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	753716223	CFRUNWKXIGQINS-QVIVLVACSA-N	279.742	4.391	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2cnc(C(C)C)s2)sc1C	758433315	HTRYCFOAERQGES-VZUCSPMQSA-N	289.429	4.404	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)c2ccoc2)c1	806557355	SMBBHQSXQJVUID-MHWRWJLKSA-N	265.312	4.022	50	20	CIGD	
CCCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)o2)s1	857202767	SXALCWGSAIPUEF-XFXZXTDPSA-N	285.368	4.392	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	194856938	NQYWTKLDNHMPOM-OQLLNIDSSA-N	295.338	4.165	50	20	CIGD	
COC(=O)N(C)N=C1CCC[C@@H](c2cccc(Cl)c2)C1	497002881	YXDPUHMJXZNPNW-GFCCVEGCSA-N	294.782	4.052	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)c1nc2ccccc2[nH]1	588601016	ZHODXBHIMCMOAO-UITAMQMPSA-N	285.759	4.342	50	20	CIGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)c1ccsc1	741843643	LUMBLCPENJVLAB-GHXNOFRVSA-N	297.310	4.423	50	20	CIGD	
CC(CC(C)(C)C)=NNC(=O)c1ccc(Cl)cc1F	834963596	QZLOFCAJJVFSNT-UHFFFAOYSA-N	284.762	4.021	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccoc2C(C)C)c(Cl)c1	836935685	SMQXDPPSKPIUNL-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CC1(C)CCc2cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc2O1	920241947	WIISCAHAPJJOKQ-PTNGSMBKSA-N	297.398	4.312	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCSc1ccncc1	197822934	RYUQMAZKBWHDTE-UHFFFAOYSA-N	269.486	4.196	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	255285858	HPKPTFIFUJJCBH-IZZDOVSWSA-N	299.267	4.367	50	20	CIGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1ccc(Cl)s1	588424715	IJCPESCKZBQGKW-KPKJPENVSA-N	298.754	4.063	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1Cl	588595796	QYQTZIQNFIQQKU-NTUHNPAUSA-N	285.730	4.340	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	726428920	QINOOHXOZLLPTE-NJQKBMNKSA-N	265.715	4.001	50	20	CIGD	
Cc1ccc(C(C)(C)C(=O)NNc2cc(C)cc(C)c2)cc1	748359249	DUPPNLRDCZFDBY-UHFFFAOYSA-N	296.414	4.033	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2cccc3ccccc23)C[C@H]1C	767381537	ZDPWHGVDKFMCNN-UONOGXRCSA-N	294.398	4.382	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC(c2ccsc2)CC1	776886985	MBYDCZQELHBEHV-FXBPXSCXSA-N	294.423	4.492	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NC1(C2CCC2)CC1	846478515	SYHGEBDBACFPDI-CYBMUJFWSA-N	299.505	4.149	50	20	CIGD	
CC(C)[C@H](C)N(C)C(=O)CCCC[C@@H]1CCSS1	915079929	IZFGVRLMIYWPOC-QWHCGFSZSA-N	289.510	4.203	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cscc1Cl	1334243546	PPGHXTOUNFTTGM-IZZDOVSWSA-N	287.771	4.500	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)c1nc2ccccc2[nH]1	194854720	MAWPDUWSAAJINM-YRNVUSSQSA-N	297.720	4.420	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(C)c1	741473136	GNUUELQCGBHNBM-ZECSTPGPSA-N	259.324	4.046	50	20	CIGD	
CCCCCCCOc1cccc(/C=C(\C#N)C(=O)O)c1	747810739	XXHOOMDPGQNNPU-RVDMUPIBSA-N	287.359	4.027	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1ccccc1	794690680	YAPQQUXCKJNDDC-LFIBNONCSA-N	273.291	4.223	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	67428002	JHKIKHBWTITXOE-YHYXMXQVSA-N	299.704	4.073	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c(C)noc2C)cc1	255623861	CKWHYYLREWFWFN-YBEGLDIGSA-N	294.354	4.034	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	280003468	HZTRRQFJFLTOON-JXMROGBWSA-N	297.185	4.301	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	726428230	HVHRAAMKWRDWCP-CEXMDJMXSA-N	281.277	4.228	50	20	CIGD	
CCCCc1ccc(C(=O)NNc2cc(C)ccc2C)cc1	728057359	CWFUCBSCQGZYOY-UHFFFAOYSA-N	296.414	4.403	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741841959	CUKWXANJNWJKKJ-XYOKQWHBSA-N	285.318	4.484	50	20	CIGD	
CCCCC[C@H](C(=O)NNc1ccc(Cl)nc1)C(C)C	755828247	HZZZVYKZPWWKHL-ZDUSSCGKSA-N	297.830	4.031	50	20	CIGD	
CC(C)c1ncc(/C=C(\C#N)c2nc3ccccc3[nH]2)s1	758416121	OZZGOWUSITYXQR-YRNVUSSQSA-N	294.383	4.207	50	20	CIGD	
CCC[C@@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	767407261	MSJNWTSYPIZAQN-SSDOTTSWSA-N	293.169	4.012	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2cccc3ccccc23)[C@@H]1C	781126997	JSTBLYKIODGOIF-UONOGXRCSA-N	294.398	4.382	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccnc(Cl)c1Cl	834420094	BIXPZTCFUWHJJR-YRNVUSSQSA-N	297.185	4.301	50	20	CIGD	
Cc1ccc([C@H](C)NC(=O)C2CCC(Cl)CC2)s1	1123510290	QRZZZSPSQIGQJW-UNXYVOJBSA-N	285.840	4.031	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)s1	11297367	PRBSRZVALLYEIT-XYOKQWHBSA-N	287.771	4.500	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccsc2)c1	48837576	FYSVGWFFRDWGSF-OVCLIPMQSA-N	267.353	4.155	50	20	CIGD	
C[C@@H](CBr)CN[C@H](C)c1ccc(Cl)cc1	186378885	QKIMHUYDUAEOCG-VHSXEESVSA-N	290.632	4.022	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cc2c(s1)CCC2	748244392	MNBVJSKMNVJDDF-NSHDSACASA-N	292.448	4.169	50	20	CIGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)c1ccncn1	758917109	WFZDYUHDGHGFQP-ZSOIEALJSA-N	289.363	4.269	50	20	CIGD	
CSc1ccccc1CN(C)/C(=C\C#N)c1ccccc1	791599036	NERRVKXAXBMHAV-ATVHPVEESA-N	294.423	4.405	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)/C=C(\C)c1ccccc1	799759258	KYGMQTGZKKTYGV-FYWRMAATSA-N	294.398	4.104	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccccc2Cl)c1	207930561	MMEFCOXIUYIDLA-ZROIWOOFSA-N	297.741	4.138	50	20	CIGD	
Cn1c(/C(C#N)=C/c2ccc3c(c2)CCC3)nc2ccccc21	255631163	NMQWMYDCDNKVLP-SFQUDFHCSA-N	299.377	4.126	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccccc2F)c1C	727654403	DUZLZLIPPVRLBX-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)ccc2F)cc1	764890850	CZPCKDIBTHLQKE-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)s1	794875517	WWJBZXKBTCYUCN-VQHVLOKHSA-N	267.781	4.314	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1Cc2cccc(Cl)c2C1	805805011	IRDJDZACSHLDCN-IUXPMGMMSA-N	298.748	4.359	50	20	CIGD	
CCCCC1CCC(C(=O)NNc2cccc(C)c2)CC1	912634638	PUKOCNFKOWAEDA-UHFFFAOYSA-N	288.435	4.435	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccsc2)cc1C	915990001	UFABQUAEECMOJC-PXNMLYILSA-N	281.380	4.463	50	20	CIGD	
CCCCC(C)=NNC(=O)c1ccc(C(C)(C)C)cc1	916323456	JBURSFHGDUPQHF-UHFFFAOYSA-N	274.408	4.280	50	20	CIGD	
Cn1c(/C(C#N)=C/c2cc3ccccc3o2)nc2ccccc21	25887855	HFXXIEBODFFIQC-SDNWHVSQSA-N	299.333	4.384	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	125464790	BGZYXMMDUCADKK-HQQGHWSLSA-N	290.432	4.353	50	20	CIGD	
O=C(Cc1cccc2ccccc12)NN=CC1CCCCC1	254385539	YJKRFBBHJPVUEA-UHFFFAOYSA-N	294.398	4.065	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cccc2cccnc12	747355856	FKAFVVITRQQTAI-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
CC(C)C1CCC(=NNC(=O)c2cc3ccccc3o2)CC1	749818525	YEIUIWNYPQPKCI-UHFFFAOYSA-N	298.386	4.365	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1ccc(F)cc1	771836236	BJYICDFJNFLJSJ-BJMVGYQFSA-N	291.734	4.330	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)C(C)(C)C	788734263	XRKAPGCWVQASNZ-XFXZXTDPSA-N	275.779	4.425	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(F)ccc(F)c1Cl	863184608	NKZYHPXLFXTRCZ-CYXIBPNKSA-N	283.705	4.140	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(Cl)cs1	1322140149	JMISIKBVDHZZKV-WDZFZDKYSA-N	287.771	4.500	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(F)c3)[nH]c12	735619737	QKIBFBDITXGQKH-MDWZMJQESA-N	277.302	4.075	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771838404	PHOKYTVIVKLPAH-NJQKBMNKSA-N	299.267	4.367	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1ccccc1F	779796852	CSQPVXGGKWDFKJ-UITAMQMPSA-N	291.734	4.330	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)c(OC)c1	863189581	BWCMPGLTQPDBPD-WQLSENKSSA-N	291.778	4.261	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1319114144	ZAKQVGVLEYBVLX-LDADJPATSA-N	287.362	4.274	50	20	CIGD	
CC(C)Cc1ccc([C@H](C)CBr)cc1	49783585	YIIXPKUNSPSECQ-LLVKDONJSA-N	255.199	4.384	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	63278467	XDRGBBPCFUZJLC-PTNGSMBKSA-N	283.371	4.140	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1)c1nc2ccccc2[nH]1	747698049	FZBVUBGTENRGDP-WLXMHCNISA-N	289.313	4.322	50	20	CIGD	
C[C@H](CC(=O)NNc1cccc2cnccc12)CC(C)(C)C	748767165	LSYTYYAOHQRYQT-CYBMUJFWSA-N	299.418	4.140	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCCC2)ccc1C	772171453	IIAZCDVYILARCW-MHWRWJLKSA-N	283.371	4.060	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)o1	797399145	OVZMFKNGRFIELY-XFFZJAGNSA-N	272.373	4.406	50	20	CIGD	
COc1cccc2c1C/C(=C\c1cccc(CCl)c1)C2=O	799891528	FZHPMEAACJUDFB-NTEUORMPSA-N	298.769	4.256	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccccc2C)c1	7211105	FVCSDSDSVSENJQ-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2Cl)s1	105570965	KZGFNBSRADLCGY-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cccc(C)c2Cl)c1	123653104	VWEQZPYWXASVDG-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1	154277555	NHFFSEOJKZMKIR-BOPFTXTBSA-N	291.350	4.184	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccoc2C)cc1C	213028334	OMLGCDITXBYHEJ-SXGWCWSVSA-N	279.339	4.303	50	20	CIGD	
C[C@@](CBr)(COCc1ccccc1)C1CC1	230090884	VGCXXEVBKBLJOE-CQSZACIVSA-N	283.209	4.014	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccc(F)cc1	588394121	AQQOQPCMGRIPPG-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
O=C(CC1=CCCCC1)NNc1cccc(C(F)(F)F)c1	730275561	MNWDSADGFGLLHY-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CC(C)c1ccc2cc(C(=O)NNc3ccccc3)[nH]c2c1	732265672	VVXIQOMRZDIECU-UHFFFAOYSA-N	293.370	4.048	50	20	CIGD	
C/C=C(/C=C/C(=O)NNc1cccc(C(F)(F)F)c1)CC	747995064	GWUOURMTPLRSTD-NGOBVPNHSA-N	298.308	4.061	50	20	CIGD	
CC(C)c1ccccc1-n1ccnc1SC/C=C/C#N	763297481	FYCJTWUGADNGLF-AATRIKPKSA-N	283.400	4.168	50	20	CIGD	
COC(=O)N(C)N=C1CCCCCCCCCCC1	794961140	BMGRUPJLTLMNNH-UHFFFAOYSA-N	268.401	4.345	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)Nc1cscc1C	799406798	LGMQDKSQXDCGFO-UHFFFAOYSA-N	289.404	4.076	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C#N)s2)cc1C	809145865	IFERPGKJOTUZSM-ZSOIEALJSA-N	292.363	4.027	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)ccc2F)cc1C	809160086	FRFGZAJJCSJWEJ-OVCLIPMQSA-N	297.304	4.372	50	20	CIGD	
Cc1cccc(NNC(=O)c2cccc(C(C)(C)C)c2)c1	848371482	WNPLRLCLSHSUKH-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
N#CC(C#N)=CNc1ccc(SC2CCCC2)cc1	30529721	IRLFCQYIWOCAAV-UHFFFAOYSA-N	269.373	4.064	50	20	CIGD	
CC1CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1	727781078	CUBYJIKXVUYKRU-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1ccc(C#N)cc1	747050898	KTRCCDCUPGMFJN-HNNXBMFYSA-N	297.402	4.046	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@H](c2ccccc2F)C1	750799592	ANQMOIGURJUNDO-JJLFXSABSA-N	292.357	4.180	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)N(C)C1CCCCC1	755593973	QWZMPXXFTOZFEX-FOWTUZBSSA-N	296.414	4.002	50	20	CIGD	
Cn1c(/C(C#N)=C/c2ccc3occc3c2)nc2ccccc21	794685500	HQXXDRNQRZGIOJ-RVDMUPIBSA-N	299.333	4.384	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)C1CCCC1	794874881	KMBYBVZBEINQRX-ZROIWOOFSA-N	275.298	4.290	50	20	CIGD	
COc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)ccc1C	843266526	WWHIKVPFCHLWMU-VGOFMYFVSA-N	296.395	4.402	50	20	CIGD	
C/C(=C/C(=O)NN(c1ccccc1)c1ccccc1)C1CC1	917529004	NAGSJSGWBUALSR-PFONDFGASA-N	292.382	4.212	50	20	CIGD	
COc1cc(NC(=O)C2CCC(Cl)CC2)c(C)cc1C	1528382526	CHSWVIJAPKKLHP-UHFFFAOYSA-N	295.810	4.048	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1ccccn1	35110870	JMKLOSKLIKKXPN-XFFZJAGNSA-N	275.138	4.453	50	20	CIGD	
N#CC1=C(N)Oc2cc3ccccc3cc2[C@@H]1c1ccccc1	44137512	QSTCKWGYIUYFCD-IBGZPJMESA-N	298.345	4.058	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)CC(C)(C)C)c1	49372088	PQRWCUPFLUOVPZ-DHDCSXOGSA-N	255.361	4.216	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)CC	175635592	DXLXLKCPAYJEMZ-LLVKDONJSA-N	290.432	4.369	50	20	CIGD	
COc1ccc2oc(/C=C(\C#N)c3nc(C)cs3)cc2c1	179130462	LEYWVJCIHNXAPR-KPKJPENVSA-N	296.351	4.271	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cscc1Br	285216344	FIQWPVBWKUPRKS-SXPLAPADSA-N	298.205	4.033	50	20	CIGD	
Clc1cc(CC2(CBr)CC2)cs1	306245099	VOEMVNIFLCRAAY-UHFFFAOYSA-N	265.603	4.119	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)c1ccsc1	588476718	ARXMVGIGYMTNCN-QPEQYQDCSA-N	287.771	4.500	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cccc(C)c1C	727654424	DWRLLCGYWBJGNS-NTEUORMPSA-N	281.380	4.463	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	741469993	OJEWARJTOJACTE-ATTDUZETSA-N	297.398	4.312	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	767712059	BICZXLMASTUZKE-ISAHRAOESA-N	265.715	4.001	50	20	CIGD	
CCCN(N=C(C)Cc1ccsc1)C(=O)OC(C)(C)C	794995387	IFUAVSACMMXZMU-UHFFFAOYSA-N	296.436	4.314	50	20	CIGD	
CC[C@@H](C)N(CC)C(=O)CCCC[C@@H]1CCSS1	855149017	RLBLVPBGKOOTGS-CHWSQXEVSA-N	289.510	4.348	50	20	CIGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccsc1	6902005	YIFDISDDOXGNIR-MDWZMJQESA-N	292.363	4.328	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	116609352	ZWHLUQSLCLXGPV-JYRVWZFOSA-N	285.343	4.294	50	20	CIGD	
CCCCCC(CCCCC)=NNC(=O)C1CC1	743423810	XBTHGBSTGHXDQM-UHFFFAOYSA-N	252.402	4.029	50	20	CIGD	
O=C(CC1CCCC1)NN=Cc1cccc(Cl)c1Cl	749454222	ZHOAZQWXMROYDO-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
CCCCCC(C)(C)C(=O)NNc1c(F)cccc1F	753339915	LYYACTVHJZYCSH-UHFFFAOYSA-N	284.350	4.014	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)c1ccccc1	782198124	VUWWMTXCHGSGHC-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(C)c1	799373339	DGMQZDHLHOTOQW-UHFFFAOYSA-N	283.375	4.014	50	20	CIGD	
C[C@@H](CCC#N)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844336971	NWFQAPRTWYCHGX-LSDHHAIUSA-N	296.531	4.165	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1ccsc1	588600680	DHTDZPIZPMRWRQ-OQFOIZHKSA-N	279.773	4.253	50	20	CIGD	
CCCCc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1	728056227	KGODUHHMTAOHMH-UHFFFAOYSA-N	296.414	4.403	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ncccc1C(F)(F)F	765502491	KANJBGAXJKRBEU-FLIBITNWSA-N	296.292	4.013	50	20	CIGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1=CCCCCC1	775881797	IWAGQENYSJTWLI-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(Cl)cs1	780004995	QJZRWFGPOQZVHA-WTKPLQERSA-N	267.781	4.314	50	20	CIGD	
O=C(NNc1ccccc1)c1ccc(C2=CCCC2)cc1	810019302	DAGUNPSIGFHLAS-UHFFFAOYSA-N	278.355	4.011	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2ccncc2s1	849178021	FJBCQMMVKXSDRP-JYRVWZFOSA-N	284.384	4.209	50	20	CIGD	
CC(C)c1scnc1NC(=O)c1cccc(CCl)c1	1347093331	LKQRKKANWOLGSW-UHFFFAOYSA-N	294.807	4.258	50	20	CIGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	14150712	DSITXUOELSFCGE-SFQUDFHCSA-N	291.350	4.264	50	20	CIGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)c1ccccn1	40018303	SLOLAFUTRZOKFN-WQLSENKSSA-N	274.245	4.165	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCCC2)cc(C)c1O	128887225	LEVXDIXPEYKDPR-YBEGLDIGSA-N	283.371	4.065	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)c1ccc(F)cc1	747697623	ZKXNLWKHPOVMSL-PPUAEEJLSA-N	295.288	4.311	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)[C@H](C)CC)c1	769726694	PKBIPHPMESYGTE-OJLMPMFISA-N	273.401	4.321	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776721014	WSSKPAQMGPSRAO-WCIBSUBMSA-N	265.715	4.001	50	20	CIGD	
O=C(C[C@@H]1C=CCCC1)NNc1cc(Cl)cc(Cl)c1	791738931	BIJLDJLIOXHIFD-SNVBAGLBSA-N	299.201	4.183	50	20	CIGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1	6209564	HSSXBSJZXOIFPI-SFQUDFHCSA-N	290.366	4.103	50	20	CIGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1	212646583	KLXTYULGJPBFJW-QINSGFPZSA-N	295.338	4.248	50	20	CIGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(F)cc1F	735331714	OWSVTXKMQKNSFY-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(C)c1	743301356	CXQHTERTYLQZRU-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)ccc2C)cc1	764892403	WZXRWXKWHGDBPY-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
O=C1/C(=C/c2cccc(CCl)c2)Cc2c(F)cccc21	799892445	ICVBHZRNZJEJJL-MDWZMJQESA-N	286.733	4.387	50	20	CIGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1	824220947	GKTDOOSFHRATKP-ROUUACIJSA-N	294.398	4.022	50	20	CIGD	
C=C(CBr)CN[C@H](C)c1cccc(C2CC2)c1	830200450	JMWYIPBJTCXHRD-GFCCVEGCSA-N	294.236	4.166	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CC[C@@H]2CCCC[C@@H]2C1	916361352	YUMXOZKCYVVHGE-LSDHHAIUSA-N	284.403	4.071	50	20	CIGD	
CC(C)C[C@H](C)O[C@@H]1CCCC[C@@H]1Br	50502697	AOBVUFNVRIVAJE-SDDRHHMPSA-N	263.219	4.144	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1	60132517	WBUUVSRLGNPFIJ-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
O=C(CC1CCCCCC1)NNc1cccc2cnccc12	178508547	WXCYIRACFKYXEV-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc3sccc3c2)c1	748402330	LHSHLWIIOONPLS-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1sccc1Cl	780004215	IJOXYOOWEROCPN-LUAWRHEFSA-N	296.823	4.005	50	20	CIGD	
COc1ccsc1/C=C(/C#N)c1nc(C2CC2)cs1	843263068	AEKMJFKENZBXOM-POHAHGRESA-N	288.397	4.155	50	20	CIGD	
CCc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)cc1	916329823	YOAOQCFXUDOTCP-WBVHZDCISA-N	298.430	4.325	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)c1cccc(Cl)c1	11297248	PDNJBWGLIBLKQJ-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1sccc1Cl	195228275	VAXBCTXHPBQWAW-JXMROGBWSA-N	267.781	4.314	50	20	CIGD	
CCOc1ccc(CN(C)/C(=C/C#N)c2ccccc2)cc1	750599875	OFNHQRMNIPJDTO-CPNJWEJPSA-N	292.382	4.082	50	20	CIGD	
CC1(C=NNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1	782229948	CDVXKCVNZXMGCT-UHFFFAOYSA-N	293.370	4.261	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	794873157	BPENAIUQDWIYGJ-WZUFQYTHSA-N	279.742	4.391	50	20	CIGD	
CCC(C)(C)C1CCC(=NNC(=O)C(C)(C)C)CC1	915966628	LDSCBUZICGBJAM-UHFFFAOYSA-N	266.429	4.131	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)c1	35241928	QXNGBRZKWSRUOT-GDNBJRDFSA-N	273.339	4.244	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1	741473563	JFAMIHLFSLUELE-DSQDWWTGSA-N	285.387	4.386	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2cccc3ccccc23)C1	783850411	SCCOCUGZBOSAEA-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cc3ccccc3o2)n1	14093292	VULDJOVMSHMPQV-KPKJPENVSA-N	266.325	4.262	50	20	CIGD	
Br[C@@H]1CCCC[C@@H]1OC1CCCCCC1	50503064	CHZJNVXRUZWYCW-OLZOCXBDSA-N	275.230	4.432	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccs3)c[nH]c2c1	66408272	ROAYDOYWRVCIPY-WQLSENKSSA-N	292.363	4.328	50	20	CIGD	
Cc1ccccc1C(=O)NNc1ccc(C(C)(C)C)cc1	181141574	PDWLMNFDLKADES-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
CC(C)Cn1cc(CCl)c(-c2ccsc2)n1	409441407	XPKQKPDAKQPQHM-UHFFFAOYSA-N	254.786	4.006	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1OC(F)(F)F	726428976	QVCUHZIGZJMBLH-UVIKPUKZSA-N	297.276	4.107	50	20	CIGD	
CCCCC[C@H](C)CC(=O)NNc1c(F)cccc1F	743455417	LBXGTWKJNXIDBI-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
N#C/C(=C\c1ccc(C#N)s1)c1ccc2ccccc2n1	748999476	YLABCCFSZOHBTR-UKTHLTGXSA-N	287.347	4.232	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(F)c3cccnc23)n1	759119423	ZIIKKSSQSQQAPW-GHXNOFRVSA-N	295.342	4.203	50	20	CIGD	
C[C@H]1CC[C@@H](C)N1Cc1ccc(OCCCCl)cc1	811467317	KBECPFNMJPSFEN-OKILXGFUSA-N	281.827	4.067	50	20	CIGD	
CC(C)(C)[C@@H](Br)c1nnc(C2CCCC2)o1	1261432052	YCQQEESTYACWOZ-VIFPVBQESA-N	287.201	4.209	50	20	CIGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2occc2C)c(C)c1	490662509	BJTHZZNQBTXNCO-DHDCSXOGSA-N	294.354	4.059	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761384295	GLVMFGLDYLKRMG-GTUWVTDSSA-N	287.306	4.289	50	20	CIGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@H]1CCCC[C@@H]1C	834921059	RAJMXPOHRPKCAW-JSGCOSHPSA-N	297.402	4.100	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1cccc2ncccc12	834955815	PSOOBMXTPZSCPG-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	3570324	KGMQOLGTSZUEOJ-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccccc2OC(C)C)n1	36774863	LOIVPWNPOCUZSS-RIYZIHGNSA-N	284.384	4.303	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C#N)s2)c1C	176407846	SMNJEOGUIVGDKD-MDWZMJQESA-N	292.363	4.027	50	20	CIGD	
CC(C)Cc1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1	755891257	ZSAHNEKFYMTSDZ-UHFFFAOYSA-N	290.407	4.086	50	20	CIGD	
Cc1cc(C)c(NNC(=O)Nc2ccccc2C)c(C)c1	775373374	IFDCJAPMFLFYSG-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)C1CCCC1	781553752	WWQYSODYZYVZAS-KPKJPENVSA-N	277.726	4.145	50	20	CIGD	
Br[C@H]1CCCCC[C@@H]1OCC1CCCC1	203590485	DPCMIAIWBVHLMP-STQMWFEESA-N	275.230	4.289	50	20	CIGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1ccccc1	727252112	QLURNBOSGDNZRE-AWEZNQCLSA-N	272.392	4.009	50	20	CIGD	
O=C(CCCc1ccccc1)NN=C1CCC[C@@H](C2CC2)C1	737431458	JDODXNCTHSGMEJ-QGZVFWFLSA-N	298.430	4.082	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	749893232	DRVVNOKIPXFXQM-QQFZQELXSA-N	294.354	4.254	50	20	CIGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)c1ccccc1	766752907	ULZRSZKHJKUDJC-JQWIXIFHSA-N	299.208	4.100	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1	806398422	HETDXZSOMRBVST-BHYGNILZSA-N	286.419	4.045	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(F)ccc(F)c1Cl	863184611	NKZYHPXLFXTRCZ-WSQKDGNHSA-N	283.705	4.140	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2coc3ccccc23)n1	255766051	BYQBUHGEEMUQMK-WDZFZDKYSA-N	266.325	4.262	50	20	CIGD	
CCc1cccc2c(/C=C(/C#N)C(=O)[C@H](C)CC)c[nH]c12	726429305	HWGQCBTUTLJILW-OJLMPMFISA-N	280.371	4.252	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(F)ccc2F)c1C	727655512	VQYHDLBKMKZAMS-ZSOIEALJSA-N	297.304	4.372	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1c[nH]c2ccccc12	749156796	PFEVRCCOKDDVGV-UHFFFAOYSA-N	283.375	4.020	50	20	CIGD	
O=C(CC1CCCC1)NN=Cc1cc(Cl)cc(Cl)c1	749447327	QRTYEVDTWDGYTI-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
C=CCCCCNC(=O)CCCC[C@H]1CCSS1	770272876	CGVZTTLKKMTTJU-ZDUSSCGKSA-N	287.494	4.173	50	20	CIGD	
CCCCC[C@@](C)(CC)C(=O)NNc1cccc(Cl)n1	817006910	FJZNLCURIMTMGY-OAHLLOKOSA-N	297.830	4.175	50	20	CIGD	
Cc1csc(C(=O)NN=C2CCCCC23CCCC3)c1	863157318	YEVFUFDFQRDPSG-UHFFFAOYSA-N	290.432	4.277	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)CC(C)(C)C)c1	918714313	SHQMBHGOSZERBW-XNTDXEJSSA-N	285.387	4.388	50	20	CIGD	
COc1ccc2cc([C@@H](C)Br)ccc2c1	36894537	XEEITBAXIABDJT-SECBINFHSA-N	265.150	4.304	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1ccsc1	44027951	QXJSCEBXVYKDEE-WEVVVXLNSA-N	279.773	4.253	50	20	CIGD	
Br[C@@H]1CCCC[C@H]1OCC1CCCCC1	52147214	AXTVHAQQVCQRKW-CHWSQXEVSA-N	275.230	4.289	50	20	CIGD	
CCCCCCOc1cccc(C=C(C#N)C#N)c1	57770000	ZIPRKORJTRQFEV-UHFFFAOYSA-N	254.333	4.076	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)cc3F)[nH]c12	735618517	BCSGPTUXOQCFIZ-KPKJPENVSA-N	295.292	4.214	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)cc(C)c1	741475221	WITGYBQSANXUTJ-FBKCMUNRSA-N	255.361	4.216	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	755404724	BKDDCZXTQITFMR-IZZDOVSWSA-N	279.742	4.391	50	20	CIGD	
N#C/C(=C/c1csc2ccccc12)C(=O)c1ccoc1	798231237	XCAMBNXSZWOHFS-GHXNOFRVSA-N	279.320	4.284	50	20	CIGD	
CCC1(C(=O)NNc2ccccc2Oc2ccccc2)CC1	846461613	CFXLXILONZZKBH-UHFFFAOYSA-N	296.370	4.112	50	20	CIGD	
N#C/C(=C\c1cccnc1)c1nc2cc(Cl)ccc2s1	12526865	HDCJZVGNMVNTFQ-IZZDOVSWSA-N	297.770	4.409	50	20	CIGD	
BrCC1(c2ccccc2)CCCCC1	49783522	PWGBTXDJELCVPC-UHFFFAOYSA-N	253.183	4.283	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1	171046340	XFEOOKKJEMOPAG-KPKJPENVSA-N	297.276	4.107	50	20	CIGD	
CC(C)(CBr)CCCOCc1ccccc1	306407336	YJVJJUIVKVCCNH-UHFFFAOYSA-N	285.225	4.405	50	20	CIGD	
CC1(C)CCCCC1=NNC(=O)c1cccc(Cl)c1	757559376	CALUFDIVZDFWBL-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CC(C)c1ncc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)s1	758423093	HWIMYRSAIIECNX-GHXNOFRVSA-N	299.355	4.239	50	20	CIGD	
C[C@@H](c1ccc(Cl)cc1Cl)N1CC=C(C#N)CC1	767120395	SFHOHFHWTJIMSY-JTQLQIEISA-N	281.186	4.210	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1ccsc1	790101182	WMEDITLJXIVEAY-BJMVGYQFSA-N	279.773	4.253	50	20	CIGD	
O=C(CCC1CCC1)NNc1cc(Cl)cc(Cl)c1	791731422	AFSISTZXNLDKDD-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCCC2)c1ccccn1	792859922	TVKVKMGGMBAZTK-SFQUDFHCSA-N	260.340	4.025	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1ccccc1	794690688	YAPQQUXCKJNDDC-WJDWOHSUSA-N	273.291	4.223	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CCCSC(C)(C)C)c1	161124502	PVTGZIQJCTVBJG-UHFFFAOYSA-N	294.464	4.058	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	255050432	VOFXEXKYCQIPMS-UXBLZVDNSA-N	265.715	4.001	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2cccc3ccccc23)C[C@@H]1C	767381533	ZDPWHGVDKFMCNN-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
Cn1c(/C(C#N)=C/C=C/c2ccccc2)nc2ccccc21	5590335	ZNMYQEJNXNIVAO-RWZRJOGJSA-N	285.350	4.194	50	20	CIGD	
CC(C)C(=NNC(=O)c1ccccc1F)C1CCCCC1	733902367	RHJWJPPDDRHKSQ-UHFFFAOYSA-N	290.382	4.148	50	20	CIGD	
COc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1C	773140542	SNBNSKJHYKEABJ-AUWJEWJLSA-N	284.384	4.141	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)c1nc2ccccc2[nH]1	799888900	IWUIHQMSZDIKHW-NTEUORMPSA-N	293.757	4.366	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)c1ccsc1	49391286	YPSUCYASBPGWHU-WZUFQYTHSA-N	291.734	4.330	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1Cl	193742323	VWNIJCJRBPNKAH-KPKJPENVSA-N	261.752	4.171	50	20	CIGD	
CC[C@H](C)O[C@]1(CBr)CCC[C@@H](C)C1	227684011	OIBUDGGIHNMSTR-GRYCIOLGSA-N	263.219	4.145	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1ccoc1C(C)C	281810456	QCIGVGJOOROUSI-UHFFFAOYSA-N	286.375	4.031	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)C(CC)CC)cc1F	780004325	LJBOLWVBSVJCAZ-NTEUORMPSA-N	289.350	4.137	50	20	CIGD	
CC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C1CC1	855860626	XMOXIIJAIUFEHS-CHWSQXEVSA-N	287.494	4.005	50	20	CIGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1ccccc1Cl	1116290624	NHFRASBYDGKYJH-GFCCVEGCSA-N	292.810	4.272	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc([C@H]2C[C@H]2C)o1	8117731	BXVVQRQBXRWGIO-GJOLKNFBSA-N	281.311	4.094	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1Cl)c1ccccn1	33660027	LSBXVYCGEGYYKU-FLIBITNWSA-N	275.138	4.453	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1	49073500	AKVBIWYAYFNJPW-ZDUSSCGKSA-N	281.446	4.339	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(F)cc(F)c1	179177960	TTZVWXUYIUXAOA-WCIBSUBMSA-N	289.306	4.125	50	20	CIGD	
CCc1ccc([C@@H](C)CC(=O)NNc2cccc(C)c2)cc1	738511543	ZQUQBUGUSZAOGU-HNNXBMFYSA-N	296.414	4.194	50	20	CIGD	
Cc1cc(NC=C(C#N)C#N)ccc1-c1ccccc1	762411918	WMRUZNYSWOWKBW-UHFFFAOYSA-N	259.312	4.005	50	20	CIGD	
CC(CCC1CC1)=NNC(=O)c1ccc(Cl)cc1Cl	768767746	MAXWVESAZLDUEZ-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CCCN(N=C1CCC2(CC1)CC2)C(=O)OC(C)(C)C	794994982	BYWMVWBGYLHPCY-UHFFFAOYSA-N	280.412	4.344	50	20	CIGD	
CCCN(N=C1CCCC12CCC2)C(=O)OC(C)(C)C	834976944	DAHUCZHMKOIMJW-UHFFFAOYSA-N	280.412	4.344	50	20	CIGD	
CCC1(C)CCC(=NNC(=O)c2cc(C)cs2)CC1	863155559	PJMSAXRAKLPRDP-UHFFFAOYSA-N	278.421	4.133	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)C(C)(C)Cc2ccccc2)c1	748400704	KGPRFPZJDAJYAR-UHFFFAOYSA-N	296.414	4.015	50	20	CIGD	
CCCC(CC)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	776186497	YZFVIDQVHRXWJT-LLVKDONJSA-N	292.448	4.169	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	790099369	FQQUUAHDLYJPBZ-BOPFTXTBSA-N	297.398	4.388	50	20	CIGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)c1ccccn1	113006443	YKKMKMHBJADBPA-XFFZJAGNSA-N	292.235	4.304	50	20	CIGD	
COc1ccc(F)c(O[Si](C)(C)C(C)(C)C)c1	204433175	NNFDZASNOAPFIO-UHFFFAOYSA-N	256.393	4.218	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cc(C(C)C)oc2C)c1	285744044	LCXDFZCUZIKIGM-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	726118073	IKCCLHCKWFXERU-LGMDPLHJSA-N	298.430	4.445	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	727655108	NIRJIJVHXVQBCF-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
CC(C)CC1(C(=O)NNc2ccc(Cl)c(F)c2)CCC1	748877952	PKGZRAHIXWQRCQ-UHFFFAOYSA-N	298.789	4.139	50	20	CIGD	
N#C/C=C/COc1ccc(C(=O)c2ccc(Cl)cc2)cc1	763297698	JHDBHILHTCHSDB-OWOJBTEDSA-N	297.741	4.030	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776719790	AUZVFLHHGDVUHL-YIVIPITNSA-N	279.742	4.391	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)C[C@@H](C)O3)sc1C	899361034	RUIVIJIZZYYBKL-XBLUXWHVSA-N	296.395	4.148	50	20	CIGD	
CC(C)(C)[C@H](Br)c1nnc(-c2ccccc2)o1	1325813414	KMBMMXXNNLFXBZ-SNVBAGLBSA-N	295.180	4.219	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(Cl)c1	726118855	RWEXGAPWYUZAQM-JYRVWZFOSA-N	261.752	4.252	50	20	CIGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)CC(C)C	726184361	SUHVZDLXWAJJIX-PTNGSMBKSA-N	293.366	4.371	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@H](C)c2ccccc2)c(C)c1	743762454	WWTWOJHHNXACQO-AWEZNQCLSA-N	296.414	4.249	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)C1CCCCC1	767715422	VTWYXEUHKJAYCH-GDNBJRDFSA-N	271.335	4.191	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C/c1cccc([N+](=O)[O-])c1	787170408	VYVALUMTNQVCBN-FFQCYZGFSA-N	298.342	4.063	50	20	CIGD	
Cn1c(/C(C#N)=C\c2ccc3occc3c2)nc2ccccc21	794685496	HQXXDRNQRZGIOJ-PTNGSMBKSA-N	299.333	4.384	50	20	CIGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)C(C)(C)F	834447757	QLVOGRNMVQRTHV-PKNBQFBNSA-N	285.318	4.219	50	20	CIGD	
CC(C)(C)n1cc(/C=C(\C#N)c2nc(C3CC3)cs2)cn1	843265475	NSTJCUHNIIDFJW-AWNIVKPZSA-N	298.415	4.036	50	20	CIGD	
CC(C)(C)CC(=NNC(=O)c1ccccc1Cl)C1CC1	1320621328	NSPBFTYAVYVHNR-UHFFFAOYSA-N	292.810	4.272	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	33471234	USQOJNXUQNYDPH-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(SCC)c1	769724820	IYCKAUAJIRIUJE-GXDHUFHOSA-N	289.400	4.049	50	20	CIGD	
CCCCCCCC(=O)NNc1ccc2ccccc2n1	777460642	SFIIOUVQJNWZFS-UHFFFAOYSA-N	285.391	4.038	50	20	CIGD	
CC[C@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc(Cl)cc1	786676671	AKZVWURJALJESG-CTXBLAANSA-N	289.762	4.194	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)[C@@H](CC)c1ccccc1	799754423	IINAXAFPGWHJEC-KRWDZBQOSA-N	296.414	4.194	50	20	CIGD	
F[C@H]1CCC[C@H](NCc2ccc(OCCCCl)cc2)C1	1332453286	VSGDCJVWWYZZCC-GJZGRUSLSA-N	299.817	4.065	50	20	CIGD	
CC[C@H](C)O[C@@H](CBr)c1cccc(F)c1	50480070	OSUBHMHHPYDFBX-CABZTGNLSA-N	275.161	4.077	50	20	CIGD	
CCCCCO[C@@H](CBr)c1cccc(F)c1	50481635	SKCRAKQIKZYIOG-ZDUSSCGKSA-N	289.188	4.469	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2sccc2C)o1	155219994	SYAMEEJAISSHMP-FLIBITNWSA-N	271.341	4.002	50	20	CIGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)C(C)C)s2)cc1	172044097	OXKOPQZLPUAPMA-RIYZIHGNSA-N	296.395	4.251	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccccc1F	212673134	FRTFJKORYULALZ-XFXZXTDPSA-N	285.705	4.269	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2C)cc1	213084576	JSHDEQUQCGLHSY-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1ccccc1	740763481	DALRWVAUPNCQIP-VBKFSLOCSA-N	284.318	4.025	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(Cl)nc2)c1	748997110	FIQQQUGKURQXMQ-OVCLIPMQSA-N	296.757	4.142	50	20	CIGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccc(C)o1	752171979	DXFLCMBSOMIVLO-UHFFFAOYSA-N	298.386	4.107	50	20	CIGD	
Cc1cccc([C@@H]2CCCN2C[C@@H](C)CBr)c1	770647993	NSJSVNMBMBZAGD-ZFWWWQNUSA-N	296.252	4.163	50	20	CIGD	
CC(C)=CCCNC(=O)CCCC[C@H]1CCSS1	791004620	VFPAIJSQTYIWSU-ZDUSSCGKSA-N	287.494	4.173	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)cccc1C	794948356	JIWKOHPWZXAXIL-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
O=C1/C(=C/c2cccc(CCl)c2)Cc2ccc(F)cc21	799891174	AFDJVBUMNHPHKO-VGOFMYFVSA-N	286.733	4.387	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C/c1ccccc1	1318053013	LBIJQHGHXCWPKU-RMXCOSCZSA-N	273.335	4.341	50	20	CIGD	
Cc1cc([C@H](C)NC[C@@H](C)CBr)c(C)s1	152771961	ALZORHIEDAVTER-WPRPVWTQSA-N	290.270	4.047	50	20	CIGD	
CCCCC(CC)=NNC(=O)CSc1ccc(C)cc1	732924087	QSSJIZCHWJDWKW-UHFFFAOYSA-N	292.448	4.160	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(C)c1	741473133	GNUUELQCGBHNBM-HOXUKUGESA-N	259.324	4.046	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(F)cc(F)c3)[nH]c12	755404843	CWVGLGBVMRTRSR-XGICHPGQSA-N	295.292	4.214	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	755404910	DMKAMRXXZVGQAU-KPKJPENVSA-N	279.742	4.391	50	20	CIGD	
Cc1ccc(C)c(NC(=O)[C@H](Br)C(C)(C)C)c1	781063441	LSXWMRSYLSGZES-LBPRGKRZSA-N	298.224	4.052	50	20	CIGD	
N#C/C(=C/c1cccc2ccoc12)C(=O)C1CCCC1	1117826039	DNKBBVXPSKEJJG-GDNBJRDFSA-N	265.312	4.099	50	20	CIGD	
O=C(CCl)c1cc(Cl)c(Cl)cc1Cl	3650308	ZCUJOTLYIPZNRZ-UHFFFAOYSA-N	257.931	4.068	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CCCC2(CC2)C1	185318851	AZEJOSADYHVYHY-ZDUSSCGKSA-N	299.505	4.103	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	277394474	NSAVHMUACLGFFT-YRNVUSSQSA-N	297.185	4.301	50	20	CIGD	
CC(C)c1[nH]nc(-c2ccsc2)c1CCCl	409439054	GFSVVLFNQJYAGQ-UHFFFAOYSA-N	254.786	4.043	50	20	CIGD	
Cc1nc(/C(C#N)=C/C=C\c2ccccc2)sc1C	741475247	WQYZOSOHNSNHQP-SYFSHSHVSA-N	266.369	4.380	50	20	CIGD	
C[C@@H](C(=O)NNc1c(Cl)cccc1Cl)C(C)(C)C	763616504	SBCXOHZLKWZKSL-QMMMGPOBSA-N	289.206	4.119	50	20	CIGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)C1CCCCC1	767735802	INWOHLLPYRBNSF-BOPFTXTBSA-N	293.366	4.062	50	20	CIGD	
Cc1ccccc1[C@@H](NC[C@@H](C)CBr)C1CC1	1320341500	BBLJRLLTASKMFQ-NHYWBVRUSA-N	296.252	4.067	50	20	CIGD	
CC(C)(CBr)Cc1cccc(Cl)c1	85050179	RRVXMIIOXLSWOD-UHFFFAOYSA-N	261.590	4.304	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1F	103717566	IQDJOBFRFZXFFL-JYRVWZFOSA-N	285.343	4.294	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CCC2(CCC2)C1	158851097	ZJABKNLKEVDQHZ-ZDUSSCGKSA-N	299.505	4.103	50	20	CIGD	
C=C[C@@H](CC(=O)NNc1cc(C)cc(C)c1)c1ccccc1	179487110	ORJGTGCEWOVLRU-INIZCTEOSA-N	294.398	4.106	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)s1	735620342	XPXKVMUVZUZJKE-WQLSENKSSA-N	279.368	4.305	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)C1CCCCC1	767713450	KDAQZMIUKRLFME-DHZHZOJOSA-N	279.792	4.458	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCC2)cc2cccnc12	783713405	PWSFULJJZJDYJJ-GZTJUZNOSA-N	290.366	4.210	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc(O)c(F)c1	799894170	ZFLJPKRFSMJIIS-GQCTYLIASA-N	290.721	4.166	50	20	CIGD	
Cc1ccsc1C(=O)NNc1c(C)cccc1C(C)C	812761637	DBHKUYDDSODTBV-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
C[C@@H]1CC(F)(F)CCN1CCO[Si](C)(C)C(C)(C)C	859839102	VJEKNRXDIHMWNE-GFCCVEGCSA-N	293.474	4.128	50	20	CIGD	
CC(C)c1nnc(CCCC[C@H]2CCSS2)o1	1118126722	FTDHSGBMOMECDF-JTQLQIEISA-N	272.439	4.060	50	20	CIGD	
O=C(NN=C1CCCCCC1)c1ccc2ccccc2c1	54883620	PBFYTRNVDRQERX-UHFFFAOYSA-N	280.371	4.280	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	729822883	DKMBIYJEAJORQG-XNTDXEJSSA-N	281.380	4.409	50	20	CIGD	
CC(C(=O)NNc1cc(Cl)ccc1Cl)=C1CCCC1	748512672	SLDTXJHTIJDXSA-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc2cnccc12	748773751	ZSNOUGOISKTZJA-CQSZACIVSA-N	299.418	4.284	50	20	CIGD	
CC(CC1CCCC1)=NNC(=O)c1cccc(Cl)c1	752721198	AHTUMUYPNMCITH-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(C)o1	767886966	OVUZZNPBTJVXAB-OQLLNIDSSA-N	291.310	4.011	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cc(C)c3ncccc3c2)n1	797405642	CQCOEGDKHCONIG-OVCLIPMQSA-N	291.379	4.372	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1C	1317868732	SEGNFEGXFWXQIT-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1cc2ccccc2o1	48417590	IKIIMFSYYXQHBW-CXUHLZMHSA-N	298.301	4.094	50	20	CIGD	
BrC[C@@H](OCc1ccccc1)c1ccccc1	50480476	CYABZTRBAPHWND-OAHLLOKOSA-N	291.188	4.339	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)c(C)c1	125395237	PVGSHGQFMMUKNZ-NVNXTCNLSA-N	268.385	4.441	50	20	CIGD	
C[C@@H]1C[C@H](OC(C)(C)CBr)CC(C)(C)C1	158269886	QJBCCFKPSXYNRV-MNOVXSKESA-N	277.246	4.391	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)s1	731156398	DKSPDXSZAUJAGT-JLHYYAGUSA-N	297.379	4.109	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1Cl	741467542	OAQQQDDCTJQZRM-KPKJPENVSA-N	291.778	4.261	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	742349875	VSCLBKUZJPLZMZ-XYOKQWHBSA-N	271.703	4.031	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1ccc(Cl)cc1F	748248026	CGYTVVHBOUCXEW-SNVBAGLBSA-N	298.789	4.411	50	20	CIGD	
CC[C@@H](CC(=O)NNc1ccc(C)cc1)c1ccc(C)cc1	749194246	PSTJSWLMPBCPFB-INIZCTEOSA-N	296.414	4.330	50	20	CIGD	
CC1(C)CCCC(=NNC(=O)c2cc3ccccc3o2)C1	767788050	JKNJGKAAMKAJFF-UHFFFAOYSA-N	284.359	4.119	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)CC(C)C)c1	769730208	XFHACDGXUFSBPM-ZROIWOOFSA-N	273.401	4.321	50	20	CIGD	
CN(N=CCC1CCCCCC1)C(=O)OC(C)(C)C	799109625	HIVJARJLRRMADP-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2cccc3c2CCC3)sc1C	844547584	HDPXLJSGMLDGOQ-OQLLNIDSSA-N	280.396	4.313	50	20	CIGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccccc1C	916362194	VIZTZAGLKNUHHY-XDFLANIISA-N	284.403	4.403	50	20	CIGD	
CCc1nc(C)c(NC(=O)c2cccc(CCl)c2)s1	1335904045	LQHXCCVXTXFLSN-UHFFFAOYSA-N	294.807	4.005	50	20	CIGD	
COc1ccc2cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc2c1	7156014	YIQDHFPTHBVAPI-MHWRWJLKSA-N	293.366	4.371	50	20	CIGD	
CCCCO[C@@H](CBr)c1cccc(C)c1	50479873	GVFDZUIGTYRWKN-ZDUSSCGKSA-N	271.198	4.248	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1Cl	174056608	UVKBSHSXGBCLGK-VZUCSPMQSA-N	290.775	4.178	50	20	CIGD	
CC[C@@H]1CCCCC1=NNC(=O)c1ccc(Cl)cc1F	779775081	VAKJYRIZRCTSCU-SNVBAGLBSA-N	296.773	4.165	50	20	CIGD	
C=CCC(CC=C)C(=O)NNc1cc(Cl)cc(Cl)c1	791738999	CPMBRWJGRPCGRA-UHFFFAOYSA-N	299.201	4.205	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)s1	809145737	DUKIIYQJJXXAEY-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccs2)c(C)c1	534490	IZBLVTDMDQKCLY-NTEUORMPSA-N	296.395	4.219	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1ccc(F)cc1	255126911	SKMPALXSCZERFZ-LCYFTJDESA-N	291.281	4.362	50	20	CIGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1cc2ccccc2o1	764695793	CDXRPLUBFTZSCT-AWEZNQCLSA-N	298.386	4.365	50	20	CIGD	
CC(C)c1nc(C(=O)/C=C/c2cccc(CCl)c2)co1	806557907	MAEXMTMPDFNXDV-VOTSOKGWSA-N	289.762	4.433	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1	809146619	QWTPALKBDOLMIM-BOPFTXTBSA-N	291.350	4.102	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(C2CCCC2)cc1	812241087	CEZHHTMMVYQCGN-BOPFTXTBSA-N	267.372	4.476	50	20	CIGD	
CCCN(N=C1CC[C@H]1C1CCC1)C(=O)OC(C)(C)C	814928035	SMFHMNDZBZZETL-ZDUSSCGKSA-N	280.412	4.200	50	20	CIGD	
CCCc1[nH]ccc1C(=O)NNc1ccc(C(C)(C)C)cc1	817558849	ILRARJVCPKLMBT-UHFFFAOYSA-N	299.418	4.022	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(F)c1F	1116005526	GROMOPJFUPQVBC-LCYFTJDESA-N	283.277	4.063	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	125409596	HDGAEQGXZRYZHN-ZSOIEALJSA-N	284.384	4.223	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	726427997	CIPJZHHKDHTVPU-RKPNYOAGSA-N	255.361	4.332	50	20	CIGD	
CCCCCC[C@H]1CCCC1=NNC(=O)C1CCC1	731932277	FWKJKBQHPBNQKE-ZDUSSCGKSA-N	264.413	4.029	50	20	CIGD	
O=C(C[C@@H]1C=CCCC1)NNc1cc(Cl)ccc1Cl	779011493	WTVFNKNJWDDRDB-SNVBAGLBSA-N	299.201	4.183	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCC2)c(C)n1CC(C)C	781554406	OQXNLUDUPXOCMU-VCHYOVAHSA-N	298.430	4.427	50	20	CIGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(C(C)(C)C)cc1	785628910	NVWILYOWWZUZID-KRWDZBQOSA-N	274.408	4.030	50	20	CIGD	
COc1cccc2c1C/C(=C/c1cccc(CCl)c1)C2=O	799891532	FZHPMEAACJUDFB-ZROIWOOFSA-N	298.769	4.256	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1c1ccsc1	1346279655	HDKIMPPHXXMCGK-UBHUBRDASA-N	297.851	4.209	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc(C)cs1	194137104	OIGHTUAMMDZEPV-MSDVTEOZSA-N	266.369	4.462	50	20	CIGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)c1ccccn1	588419736	WADQZPFBDZJHFH-XFXZXTDPSA-N	288.322	4.460	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)cccc2F)cc1	588467646	DVRKEHFPAOKMIR-LCYFTJDESA-N	283.277	4.063	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1cccc(C)c1C	727827864	MDHRBOKYJARLAS-VBKFSLOCSA-N	292.382	4.305	50	20	CIGD	
CC(C)C1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1	729634133	XBNFYCBNYQWRCN-UHFFFAOYSA-N	297.402	4.100	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(C(F)F)cc2)n1	794873520	SZJFIFCKLGNTIY-SDQBBNPISA-N	276.311	4.453	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12	16441475	GUDKYUFTBHBNBR-UKTHLTGXSA-N	290.297	4.097	50	20	CIGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)ccc1Cl	120168996	CBGAAFLKXSBXHK-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)C1CCC1	129560089	FXFIIXGJYUFHDS-AAEUAGOBSA-N	287.494	4.005	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	171093748	NDDPERTVOPQLAH-UXBLZVDNSA-N	299.342	4.258	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)o2)c1C	212095864	QALKOFHDAWXKCZ-GDNBJRDFSA-N	296.370	4.206	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)/C=C/Sc2ccccc2)c1	728056602	YAGAOEHKWTZIKT-CMDGGOBGSA-N	298.411	4.053	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)s1	731155164	BBBFJFWFTHNSBF-XFXZXTDPSA-N	284.340	4.283	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)C1CCCCCCC1	741666094	ZATDGDFPTXYJSN-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(Cl)s1	834733233	AIUJZOXEFDDYMB-LUAWRHEFSA-N	296.823	4.005	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccccc2)cc1	920154424	LZBXPSSQXYUHKR-GYZOOYGHSA-N	291.350	4.206	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cccc(Cl)c2)sc1C	125437239	NSQXOTLARWGQFC-SDQBBNPISA-N	274.776	4.478	50	20	CIGD	
C[C@@H]1CC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1	536950264	NROFZRGLIOPVJW-OCCSQVGLSA-N	256.462	4.156	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1nccc2ccccc12	741474419	OSZSFZZRWJMEQK-LKKYZFDUSA-N	278.355	4.147	50	20	CIGD	
CC1(CC(=O)NNc2ccccc2Cl)CCCCC1	753655456	CKKOFTUPYUJWQS-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1F	759653614	SZZMFFLOVUAAQZ-UVIKPUKZSA-N	279.742	4.391	50	20	CIGD	
CSc1cc(/C(C#N)=C/c2c(C)cc(C)cc2C)ncn1	773174881	AEZGXEJRYPVBBO-VGOFMYFVSA-N	295.411	4.188	50	20	CIGD	
CCc1ccc(C(=O)NNc2ccc(C(C)C)cc2)s1	837058117	JRRGFDXFNCWMOJ-UHFFFAOYSA-N	288.416	4.191	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2)c1	7211308	YXBQHZZIPMCWNZ-RIYZIHGNSA-N	297.741	4.138	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)o1	125405240	TWOWBPDBERICCA-MYUVLUJPSA-N	271.360	4.315	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C)c(F)c2)s1	255355760	LVVUYFNFLURGHH-NTUHNPAUSA-N	285.343	4.294	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cscc1Br	285216343	FIQWPVBWKUPRKS-DHFUWRPHSA-N	298.205	4.033	50	20	CIGD	
CC(C)c1[nH]nc(C2CCCC2)c1CBr	409443234	JODNLXODRIMQDC-UHFFFAOYSA-N	271.202	4.086	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)[C@@H]1C	781122781	NEUCGMZLIOHUAR-UONOGXRCSA-N	294.398	4.382	50	20	CIGD	
N#C/C(=C/c1ccsc1)C(=O)c1ccc2ncccc2c1	794883403	AZDSCJZISQBSKU-NVNXTCNLSA-N	290.347	4.086	50	20	CIGD	
Cc1cccc(C)c1C(=O)NNc1ccc(C(C)C)cc1	837054104	LZJXRFQSVDTXJJ-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
Fc1ccccc1CO[C@@H]1CCCC[C@H]1Br	68954049	OWJDMPYALSDQST-DGCLKSJQSA-N	287.172	4.048	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccc(F)cc1	182058225	AQQOQPCMGRIPPG-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccccc2)s1	731155850	VLCGESHIJJFFDI-RAXLEYEMSA-N	267.353	4.100	50	20	CIGD	
Cc1nc(/C(C#N)=C/C2=Cc3ccccc3OC2)sc1C	741474082	NEBFKEJSYBHZQU-OVCLIPMQSA-N	294.379	4.143	50	20	CIGD	
O=C(CC1CCCC1)NNc1ccc(Cl)cc1Cl	748018483	CUUIQPJKYSVYDE-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC[C@H](C)c1ccc(C(=O)NNc2cccc(C)c2)cc1	755688406	DSFSGIBVPKBNBW-AWEZNQCLSA-N	282.387	4.265	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)C1CCCC1	781553879	YWTWVBQLFMKLOG-JXMROGBWSA-N	265.765	4.068	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	794875286	UFZJWWDCNNUVLU-BJMVGYQFSA-N	281.277	4.016	50	20	CIGD	
CCCN(N=C[C@@H]1CCCC[C@H]1C)C(=O)OC(C)(C)C	794993513	YELIHFCJUHEFKQ-KGLIPLIRSA-N	282.428	4.446	50	20	CIGD	
N#Cc1ccc(C(=O)/C=C\c2cccc(CCl)c2)cc1	799890125	ZDHVZJDMPBRDHS-TWGQIWQCSA-N	281.742	4.193	50	20	CIGD	
Cc1ccc(NNC(=O)CC[C@@H](C)c2ccccc2)cc1	123348422	CJHYXSBOUJNCTG-OAHLLOKOSA-N	282.387	4.022	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	125423778	GTQFBLCIYXRMKJ-ZROIWOOFSA-N	284.384	4.223	50	20	CIGD	
C[C@H](CBr)CN[C@H](C)c1ccccc1Cl	133928122	YONKJJSNNMXDDQ-NXEZZACHSA-N	290.632	4.022	50	20	CIGD	
CN(Cc1ccc(Cl)s1)/C(=C/C#N)c1ccccc1	750600104	RTDPOEOGBVKWQU-NTEUORMPSA-N	288.803	4.398	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1C1CC1	751037817	NYUOLEVURSWISU-YYTPVVGHSA-N	267.372	4.476	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)C2CCCCC2)c1	767715118	UENKEXYZLCRWDD-GZTJUZNOSA-N	267.372	4.360	50	20	CIGD	
C[C@H](c1ccccn1)N(C)CCO[Si](C)(C)C(C)(C)C	788020821	IQEIQRWJLNRCDL-CQSZACIVSA-N	294.515	4.096	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccccc1	799887959	ASVBCDCMQRQCOC-MDZDMXLPSA-N	256.732	4.322	50	20	CIGD	
CC[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	916353454	NOAYPXMOTQACCR-WDEREUQCSA-N	292.448	4.025	50	20	CIGD	
CC[C@H](C)O[C@H]1CCCCCC[C@@H]1Br	158063373	WGNYMVGKNBRQLE-SRVKXCTJSA-N	263.219	4.288	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	726119337	XWULWIDLLHKDID-MLZDJZNWSA-N	298.342	4.063	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1F	741470876	WYXRBMDRLFTHJS-CJAAZZPWSA-N	259.324	4.046	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCC)c(F)c1	782343308	VCVNLLBBAMZUNV-OJLMPMFISA-N	289.350	4.137	50	20	CIGD	
CCC[C@](C)(CC)C(=O)NNc1nc2ccccc2cc1C	793779219	LBUMKTSMSMXEKE-SFHVURJKSA-N	299.418	4.203	50	20	CIGD	
N#C/C(=C\c1ccsc1)c1cc(C(F)(F)F)ccn1	812248910	UJBDAYNTYAFSTQ-BJMVGYQFSA-N	280.274	4.226	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)CCCO3)sc1C	899360765	PALGLPZIHOJNRS-DHDCSXOGSA-N	296.395	4.149	50	20	CIGD	
CCCCCOC(=O)CCCC[C@@H]1CCSS1	918955309	PFWVBDOQUFILQU-GFCCVEGCSA-N	276.467	4.434	50	20	CIGD	
CC(C)(CBr)Cc1ccc2c(c1)CCC2	85050283	ODXLJTDTXGYQAT-UHFFFAOYSA-N	267.210	4.139	50	20	CIGD	
O=[N+]([O-])c1ccc([C@H](Cl)c2ccc(F)cc2)cc1	98179991	MCDIQQOHDRDMQV-CYBMUJFWSA-N	265.671	4.062	50	20	CIGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)c2ccccc2)s1	736433579	WMGVMKBNZPHEIB-UKTHLTGXSA-N	296.395	4.230	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CC[C@H](C)c2ccccc2)c1	750423199	DRODCECZLYTJJM-INIZCTEOSA-N	296.414	4.330	50	20	CIGD	
CC(CC1CCCC1)=NNC(=O)c1cc2ccccc2o1	752733379	XALGAXSRRNPUGK-UHFFFAOYSA-N	284.359	4.119	50	20	CIGD	
CCc1cccc(NC(=O)NNc2cccc(Cl)c2)c1	775432741	LDCRDOWOARUQKZ-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
CCCN(N=Cc1cccc(Cl)c1)C(=O)OC(C)(C)C	794996625	JWTLYLKUWNNBHR-UHFFFAOYSA-N	296.798	4.321	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(C2CC2)c1	817342998	WMDXDMKIDQPNOK-XNTDXEJSSA-N	253.345	4.086	50	20	CIGD	
CCC(C=NNC(=O)c1ccc(Cl)cc1Cl)CC	916360109	HJJDMEKGEWOHGE-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
CC[C@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1Cl	916661274	QDAQFGAPRAPXPO-VIFPVBQESA-N	299.201	4.289	50	20	CIGD	
COCCNCc1cccc(S(F)(F)(F)(F)F)c1	921473853	DTTAIGKOMGKVPY-UHFFFAOYSA-N	291.285	4.080	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2ccccc2)o1	8117285	RGZWKBBFZNGCDW-JUICJWRVSA-N	277.323	4.193	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)cc1	154295912	ARCWCSUADKSICC-LICLKQGHSA-N	291.350	4.107	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)cc(C)c2)cc1	195713823	GSGHQNCLYFBXNL-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	211025631	YQCZRNUVJNHRFL-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
C/C=C(/C=C\C(=O)NNc1cccc(C(F)(F)F)c1)CC	747995066	GWUOURMTPLRSTD-PXGQUBIOSA-N	298.308	4.061	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	782196532	BKDPWBOYLASXDO-CAXXOGMASA-N	265.715	4.001	50	20	CIGD	
CCCN(N=C[C@H](C)CC(C)C)C(=O)OC(C)(C)C	794992607	FFHZFJUISGVWEV-CYBMUJFWSA-N	270.417	4.302	50	20	CIGD	
CCCCCC(/C=C(/C#N)C(=O)O)=C\c1ccccc1	810193777	KHIMLRMCJNKZBL-LTNDZONTSA-N	269.344	4.185	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)c(OC)c1	863189582	BWCMPGLTQPDBPD-XYOKQWHBSA-N	291.778	4.261	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccccc1Cl	1342845028	YDZCWJVFEUTZQX-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1	14178761	DLNIGDLRYAMLCH-FOWTUZBSSA-N	283.371	4.032	50	20	CIGD	
CCC[C@H](NC[C@H](C)CBr)c1ccccc1	310018282	LYFRHGKVEMCGGK-OCCSQVGLSA-N	284.241	4.148	50	20	CIGD	
CNC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	690182545	ARYUBXLBVJBBRF-UHFFFAOYSA-N	292.298	4.260	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C)c(C)c2)cc1	764917659	YZOVSXPHWSJGFP-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
CCC(=NNC(=O)c1cccc2ccccc12)C1CCC1	834963334	UQGZIXXXGSVQMS-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)C(C)C)cc1Cl	124660934	NWLFIZHYXOBBNE-WMZJFQQLSA-N	298.169	4.134	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1nccc2ccccc12	740765026	NUUBKQWCAYSSOU-GXDHUFHOSA-N	278.355	4.147	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)c2cccnc12	759119232	WWEGKZHTCVMECH-UVTDQMKNSA-N	296.345	4.286	50	20	CIGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)C1CCCC1	781555321	GBCGTQHBPZONFE-JYRVWZFOSA-N	293.288	4.372	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1cccc(O)c1	799890548	PVCSVPORNYSIRK-FPLPWBNLSA-N	272.731	4.027	50	20	CIGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)c1ccccc1	806565738	QUXAPNIYKLXXLV-VBKFSLOCSA-N	284.318	4.025	50	20	CIGD	
O=C(NNc1c(Cl)cccc1Cl)C1CC2(CCC2)C1	843825318	MXCZXIHOCXXHIW-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
CC(C)CC(CC(C)C)=NNC(=O)c1c[nH]c2ccccc12	916287695	JONVUJREFQZRMQ-UHFFFAOYSA-N	299.418	4.346	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1	1319998370	PDBIFQWDXZMWTG-LRPNAGJPSA-N	291.325	4.480	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	1977841	UBAFHFHNXIJKNR-XNTDXEJSSA-N	294.310	4.058	50	20	CIGD	
Cn1c(/C(C#N)=C/C=C\c2ccccc2)nc2ccccc21	33474495	ZNMYQEJNXNIVAO-MDKZIDAVSA-N	285.350	4.194	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1	44026469	FZUUJABTTOHEJO-UVTDQMKNSA-N	295.313	4.014	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2ccsc2)o1	55040545	BMWYZZMUUQDNFM-AICXGOIKSA-N	283.352	4.254	50	20	CIGD	
Cc1ccc(NNC(=O)CC[C@H](C)c2ccccc2)cc1	123348615	CJHYXSBOUJNCTG-HNNXBMFYSA-N	282.387	4.022	50	20	CIGD	
BrC[C@@H]1CCCC[C@H]1c1ccccc1	164834732	GSZULYWYBJLBOP-STQMWFEESA-N	253.183	4.355	50	20	CIGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1ccccc1	740763474	DALRWVAUPNCQIP-FOWTUZBSSA-N	284.318	4.025	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)C1CCCCC1	767711968	AUFKGQZROGJVSE-GXDHUFHOSA-N	273.763	4.396	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCC1CC1	812765979	BPTZYZFESDKBCI-UHFFFAOYSA-N	274.408	4.142	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(C2CC2)c1	817346956	ZHLTVXPTGCQFNL-YUSFRKCESA-N	253.345	4.086	50	20	CIGD	
N#C/C(=C\c1ccsc1C(F)(F)F)C(=O)C1CCCC1	863187594	BOGOFJUSEJHKEM-YRNVUSSQSA-N	299.317	4.433	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc1	6337778	PALFIGOBIQPRKZ-GZTJUZNOSA-N	291.350	4.047	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)c2cc(SC)ncn2)c1	773176758	OKEKBONLWOILCZ-DHDCSXOGSA-N	295.411	4.215	50	20	CIGD	
CC(C)c1ccc(NC(=O)CCl)c(C(C)C)c1	37005446	FGPUGSKENWVWIB-UHFFFAOYSA-N	253.773	4.111	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C)c(C)c2)c1	59269908	CYXYLPFAZCEQHZ-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
C[C@H](CBr)CN(C)[C@H]1CCCc2ccccc21	770646411	NUTDKLJREDLIAR-DOMZBBRYSA-N	296.252	4.027	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccsc1	799891629	APHKNTHCOSBEGG-PLNGDYQASA-N	262.761	4.383	50	20	CIGD	
O=C1/C(=C/c2cccc(CCl)c2)CCOc2ccccc21	799894097	YHQMKJSGQVABHT-RVDMUPIBSA-N	298.769	4.474	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H](C)CC2CCCCC2)cc1	1335033864	UQCIZMRXIZMEDI-AWEZNQCLSA-N	274.408	4.045	50	20	CIGD	
CC[C@H](C)O[C@H](CBr)c1cccc(C)c1	50480103	SFVXFAIIGWZSLS-WCQYABFASA-N	271.198	4.246	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc2occc2c1	794687280	SENKJSVGCMBQKS-VBKFSLOCSA-N	296.370	4.036	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(F)c2)s1	105570926	AHXAFBMAJREXIU-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
Cc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)cc1	120462267	DGJAKFHKUAPITK-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cn1c(/C(C#N)=C/c2coc3ccccc23)nc2ccccc21	160202716	KGYGCKRPLXOELT-JLHYYAGUSA-N	299.333	4.384	50	20	CIGD	
N#C/C(=C\c1cncs1)c1nc(-c2ccccc2)cs1	255420742	OKNXCERYAJDKSQ-WUXMJOGZSA-N	295.392	4.331	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	255513578	FMFYWLLDNJDBQU-POHAHGRESA-N	265.715	4.001	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	726594381	KEKXFFCXMOIFET-ZLYHGVDXSA-N	286.419	4.283	50	20	CIGD	
CC[C@@H]1CCCC(=NNC(=O)CCCc2ccccc2)C1	734979037	IQPFAIFRCBTBHK-OAHLLOKOSA-N	286.419	4.082	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1cccc(F)c1	773171865	PRJUKSHRYKZXSI-YYKVXWMGSA-N	277.298	4.172	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)c2ccsc2)c1	773914705	HCHDTNCRXUOBBX-MHWRWJLKSA-N	281.380	4.490	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccsc1Cl	790220701	UVYRZVRXUMUQJX-MXFUOJGSSA-N	267.781	4.314	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc(CCl)c2)n1	799890328	IATNMJXUFNQXQU-AWNIVKPZSA-N	274.776	4.255	50	20	CIGD	
CCC[C@@H](CC1CCCC1)C(=O)N(C)CC(Cl)Cl	819843334	KEVANTWJTZNQFH-LBPRGKRZSA-N	294.266	4.245	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)Nc2cccc(Cl)c2)c1	915878234	SBRBZYAZPOTCQL-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CCl	1319923588	RBAKPPWEHZPKCE-UHFFFAOYSA-N	271.813	4.063	50	20	CIGD	
Cc1ccccc1[C@H](NC[C@H](C)CBr)C1CC1	1320341499	BBLJRLLTASKMFQ-IAQYHMDHSA-N	296.252	4.067	50	20	CIGD	
C[C@@H]1CCCCC1=NNC(=O)c1ccc(C(C)(C)C)cc1	4113314	DUXLYMHACCVBLE-CYBMUJFWSA-N	286.419	4.280	50	20	CIGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1	7167517	YSPFBHXCVWUKAP-JMRXEAOASA-N	294.354	4.339	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2ccoc2C)c1	184546946	KOYKHPVFMYURJA-NTEUORMPSA-N	297.379	4.490	50	20	CIGD	
C[C@H](CBr)CN(C)[C@@H]1CCCc2ccccc21	770646412	NUTDKLJREDLIAR-IUODEOHRSA-N	296.252	4.027	50	20	CIGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1ccccc1	779221248	SUMAPIDCFUJNCT-WQRHYEAKSA-N	284.318	4.025	50	20	CIGD	
C=CCC1(C(=O)NNc2cccc(Cl)c2Cl)CCC1	838348095	DHCOSBCPSBEEJE-UHFFFAOYSA-N	299.201	4.183	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	917518028	PWMDRMRUCCQQBX-SFQUDFHCSA-N	275.351	4.486	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	57405668	LDEYGXINLQRTRM-WJDWOHSUSA-N	271.360	4.060	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1Cl	111680208	RDYPQIWNHKLVDH-UVTDQMKNSA-N	296.757	4.194	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)OC2CCCCC2)c1C	731211042	JRZDGLVWKDCTOR-WJDWOHSUSA-N	283.371	4.086	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccsc1	750914157	SSICFYWHKYANJH-ZTJWTMSASA-N	279.364	4.484	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cc1C	837057714	FGFPSHIEDQLFQD-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(SC)s1	840717226	OUSPTVYNYBOUEX-FLIBITNWSA-N	279.430	4.382	50	20	CIGD	
CC(CCCCC#N)=NNC(=O)c1cccc2ccccc12	841626249	PKNCBGOGABUBSN-UHFFFAOYSA-N	293.370	4.029	50	20	CIGD	
CCCC(CCC)=NNC(=O)c1cccc(Cl)c1	6039119	WRYVTRCKUXVXKA-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
CC(C)(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1	7155255	OPEVSLMIHVUJRY-NTCAYCPXSA-N	262.356	4.443	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	727655109	NIRJIJVHXVQBCF-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
CC(=NNC(=O)CC(C)C)c1ccc(SC(C)C)cc1	728428336	VDAGVQGJSCMDGC-UHFFFAOYSA-N	292.448	4.073	50	20	CIGD	
C/C=C(/C=C/C(=O)NNc1ccc(C(F)(F)F)cc1)CC	748506813	GCLNMWMIKJASIJ-UCENINCXSA-N	298.308	4.061	50	20	CIGD	
CC(CCCC(C)C)=NNC(=O)c1cc2ccccc2o1	764695974	GKGFHRDADJTSLF-UHFFFAOYSA-N	286.375	4.365	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C)c(C)c2)cc1	764917660	YZOVSXPHWSJGFP-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1ccc(F)cc1	771836237	BJYICDFJNFLJSJ-YHYXMXQVSA-N	291.734	4.330	50	20	CIGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781552651	BXVZIOYHFZLFGK-LGMDPLHJSA-N	296.414	4.199	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1Cl	781554369	NMWDWNICISIWIA-JYRVWZFOSA-N	289.762	4.015	50	20	CIGD	
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)C3CCCC3)c2O1	781556497	YGQBWIVALAIFNC-MHWRWJLKSA-N	295.382	4.066	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(Cl)c1	794876627	GILRYQBALKPCLR-WQLSENKSSA-N	261.752	4.252	50	20	CIGD	
Cc1csc(C(=O)NN=C2CCCC23CCCCC3)c1	863157216	VZIJDEXHIONPNR-UHFFFAOYSA-N	290.432	4.277	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(Cl)cncc1Cl	865220103	CYNWPFQHANHXRQ-RAJVOEEQSA-N	297.185	4.301	50	20	CIGD	
Cc1cccc(NNC(=O)CC[C@@H](C)c2ccccc2)c1	123349971	ILPONSOIWBOOFJ-OAHLLOKOSA-N	282.387	4.022	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc3c(c2)CCC3)n1	174594835	HHLVSSGKROWPON-NVNXTCNLSA-N	266.369	4.004	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cccs2)c1C	212092237	SKPXZZMNMXVMTL-UVTDQMKNSA-N	298.411	4.366	50	20	CIGD	
CC(CC1CCC1)=NNC(=O)c1ccc(Cl)cc1Cl	758373328	XBGZVOIGPJJKCM-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)CCC2CCC2)cc1	780806170	ALLBZRSJSNBZGH-UHFFFAOYSA-N	274.408	4.008	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C)cc1C	794872960	AQABWYMTCGPDCI-XNTDXEJSSA-N	255.361	4.216	50	20	CIGD	
Fc1cccc(NCc2ccc(OCCCCl)cc2)c1	811468564	XLNAISZWMXRHIS-UHFFFAOYSA-N	293.769	4.446	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)OC1CCCCC1	834744046	IZQWVZQWIBGYMC-RAXLEYEMSA-N	289.762	4.123	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C2CC3(CCC3)C2)cc1	843850962	IDQCAYLHKSHXIW-UHFFFAOYSA-N	286.419	4.008	50	20	CIGD	
C[C@H]1CCCCC1=NNC(=O)c1cccc2ccccc12	5529777	JQAGMTSIBCNNQP-ZDUSSCGKSA-N	280.371	4.136	50	20	CIGD	
Cc1ccccc1[C@H](CBr)OCCC(C)C	50481034	LPKRRPQFRQMZFG-AWEZNQCLSA-N	285.225	4.494	50	20	CIGD	
Cc1ccc(NNC(=O)CCC(C)(C)c2ccccc2)cc1	754453836	YARDHZSONXZTOF-UHFFFAOYSA-N	296.414	4.196	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C#N)c(C)c2)s1	766288722	FDBZZQXNGXFLHC-NVNXTCNLSA-N	292.363	4.027	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)CC(C)(C)C	777872868	ZWHXNXXXNJBOIE-NTUHNPAUSA-N	259.324	4.046	50	20	CIGD	
Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791730468	XXFQILGSIQADFA-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	794874175	IXYJBFKGAGWEPO-XFXZXTDPSA-N	285.318	4.484	50	20	CIGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	806553022	FABZRWUSEBLFCE-NTCAYCPXSA-N	297.427	4.222	50	20	CIGD	
CC[C@@H](C)c1nnc([C@H](Br)C(C)(C)C)o1	1325798077	KHEZHRUDLJQMSW-SFYZADRCSA-N	275.190	4.065	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	35228430	BOBBKKXTDBLPBP-ZSOIEALJSA-N	266.369	4.393	50	20	CIGD	
FC(F)(F)c1ccc([C@H]2OCCC[C@H]2CCl)cc1	92889351	QZNZCJZJOFBFID-CMPLNLGQSA-N	278.701	4.412	50	20	CIGD	
CC(C)C[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	121147879	HDBGZCMRPSYLTO-OLZOCXBDSA-N	289.510	4.251	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	741468109	CEIAFYDUAKURTE-RGVVEXHPSA-N	298.342	4.063	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	755404906	DMKAMRXXZVGQAU-GHXNOFRVSA-N	279.742	4.391	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	755602681	YVGMDFFLQMCZPJ-VPMLRQHESA-N	279.742	4.391	50	20	CIGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1ccsc1	780004025	CHASTXAVJVRFFC-PXNMLYILSA-N	290.347	4.086	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)CC(C)(C)C1CC1	816781865	AMOBJIWGZMIEHI-UHFFFAOYSA-N	288.435	4.388	50	20	CIGD	
Cc1csc(C(=O)NNc2c(C)cccc2C(C)C)c1	832322369	GZXWAWYNQPHGOO-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
N#C/C(=C\c1ccsc1)C(=O)c1cccc(Cl)c1	11297353	VNPMNFJOISVEPS-WUXMJOGZSA-N	273.744	4.191	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)c2ccccn2)c1	184540395	RDUDTGNCNCXBPL-GXDHUFHOSA-N	266.369	4.258	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	207710291	WBUUVSRLGNPFIJ-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccncn1	758914983	WVSJKBSPPKIFDZ-PDGQHHTCSA-N	283.334	4.208	50	20	CIGD	
CCCCCC(C)(C)C(=O)NNc1ccc(OCC)cc1	817915974	WUBNSHAQPIPPRA-UHFFFAOYSA-N	292.423	4.135	50	20	CIGD	
CC[C@H](C)c1ccc([C@H](NC(=O)CCl)C(C)C)cc1	1116437652	LVQWHIVZRKEQQW-BLLLJJGKSA-N	281.827	4.252	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1ccccc1Cl	1317710689	IFKIVSFCRNRCGX-UHFFFAOYSA-N	280.799	4.416	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)o1	8117914	GQFANAKAMDFSAL-COTYYPEISA-N	295.313	4.332	50	20	CIGD	
CC(C)(C)CCO[C@H]1CCCC[C@@H]1Br	85341078	JJWBOHDHHWDWDV-QWRGUYRKSA-N	263.219	4.145	50	20	CIGD	
CCCC(=NNC(=O)c1ccc(C#N)cc1)C1CCCCC1	727778308	BYXYVGXWFRVINO-UHFFFAOYSA-N	297.402	4.024	50	20	CIGD	
CC[C@@H](C)OC(=O)CCCC[C@H]1CCSS1	729078095	JBIXZISHHUDXBV-MNOVXSKESA-N	262.440	4.042	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1ccc(O)c(Cl)c1	734096408	NMVLDPGCZLVHKF-UHFFFAOYSA-N	296.798	4.122	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1C	741475280	XDTDFMAXHHKAHH-OVCLIPMQSA-N	268.385	4.441	50	20	CIGD	
O=C(NN=C1CCCCCCC1)c1cc2ccccc2o1	749824052	VLVGABOOQRERBT-UHFFFAOYSA-N	284.359	4.263	50	20	CIGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1ccsc1	780004024	CHASTXAVJVRFFC-LZYBPNLTSA-N	290.347	4.086	50	20	CIGD	
O=C(NN=C1CCC[C@@H]1CCF)c1cccc2ccccc12	794911705	NUCQVWVCUCAESY-CQSZACIVSA-N	298.361	4.085	50	20	CIGD	
Cc1cc(NC(=O)NNc2ccccc2)cc(C)c1Cl	799519653	NBRDYBVIHFKYHY-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)C1CCCCC1	834430548	RLTLNLDMGUSDGP-WUXMJOGZSA-N	296.292	4.090	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc(Cl)c2)n1	8079352	JDGAOPCBKZQSDV-VZUCSPMQSA-N	260.749	4.169	50	20	CIGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)c1ccccn1	82071293	DTHYJGWJRAJNOR-XFXZXTDPSA-N	290.244	4.044	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccsc2)c1	193346776	BKCBMNSPZBVCNY-OVCLIPMQSA-N	267.353	4.155	50	20	CIGD	
CC(C)(C)c1ccc([C@H](F)CBr)cc1	575623161	KEYXYBQFIPAOAD-LLVKDONJSA-N	259.162	4.390	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)c1ccc([N+](=O)[O-])cc1	588601418	KVQWZIUEHBHKRY-JXMROGBWSA-N	290.731	4.374	50	20	CIGD	
C=CC[C@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1Cl	727778107	YLOSECDPSLTSOD-VIFPVBQESA-N	299.201	4.311	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CC[C@@H]2CCCC[C@@H]2C1	749450715	ZNZCKBZLNWQVKE-LSDHHAIUSA-N	276.424	4.029	50	20	CIGD	
C[C@H]1CC(=NNC(=O)c2ccc3ccccc3c2)CC[C@H]1C	767371155	SWDOGAORNIWOSE-KGLIPLIRSA-N	294.398	4.382	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(Cl)cc1F	782196801	LXKMABWVTZUMHA-IZZDOVSWSA-N	279.742	4.391	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)Nc1ccccc1C	799373964	OZEMNBDFVZZTCQ-UHFFFAOYSA-N	283.375	4.014	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(F)cc1	812765075	UXYDLJBTKSIUET-UHFFFAOYSA-N	286.350	4.014	50	20	CIGD	
N#C/C(=C/c1cccc(C2CC2)c1)C(=O)C1CCCC1	817345711	ISQQPYVKFANXNH-BOPFTXTBSA-N	265.356	4.230	50	20	CIGD	
N#CC(C#N)=CNc1ccc(-c2cc3ccccc3o2)cc1	15241750	UUTATQVFXWSJIM-UHFFFAOYSA-N	285.306	4.443	50	20	CIGD	
CC(C)(C)c1ccc(CCCBr)cc1	49651099	AFGHTFUDADGIPO-UHFFFAOYSA-N	255.199	4.312	50	20	CIGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)s1)C(=O)O	208227176	YLLYZKHOVFLZKX-CLFYSBASSA-N	289.743	4.060	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1ccccc1	212839384	ZVQCUUMULYLFRZ-KDOCSACZSA-N	288.350	4.179	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	255505028	GKGDRIWEPTWYRY-ZROIWOOFSA-N	282.274	4.107	50	20	CIGD	
O=C(CC1CCCC1)NNc1c(Cl)cccc1Cl	763617826	SPXBKXZEXJVMIE-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC(CC(C)(C)C)=NNC(=O)c1ccc2ccccc2c1	834943053	UKDNSHUGXHBKSF-UHFFFAOYSA-N	282.387	4.382	50	20	CIGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1ccccc1F	11333707	WWXCQWZGSHCVSS-FMIVXFBMSA-N	285.705	4.269	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1	588424989	VUKDWEWDHKGFDJ-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(F)c2)c1C	727655440	SLDHEFCJNINSSW-DHDCSXOGSA-N	279.314	4.232	50	20	CIGD	
CCN(CCc1cccs1)/C(=C/C#N)c1ccccc1	764214865	GNJJGNIMARFWEM-LICLKQGHSA-N	282.412	4.177	50	20	CIGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1ccc(Cl)cc1F	766024415	APTXXYHUPMQXRE-SECBINFHSA-N	296.773	4.021	50	20	CIGD	
C[C@H](CBr)CN(CC1CC1)C1CCCCC1	770650043	PPKJUOOYARDZMC-GFCCVEGCSA-N	288.273	4.062	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)ccc1C	794875225	RQQGTSOGMNISLO-GDNBJRDFSA-N	255.361	4.216	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)ccc1F	794875682	XKOOZCYHPHDIST-UKTHLTGXSA-N	259.324	4.046	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C)cs2)c(Cl)c1	797157579	QZKFBVAVKHLVBU-VZUCSPMQSA-N	290.775	4.178	50	20	CIGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1ccsc1	44028065	FJRYTOMPYFECJE-KPKJPENVSA-N	273.744	4.191	50	20	CIGD	
CCCC(C)(C)NC(=O)CCCC[C@H]1CCSS1	50808834	JGVGYHSPCXIZJM-LBPRGKRZSA-N	289.510	4.395	50	20	CIGD	
CC(C)(C)[C@@H](CCl)CCOCc1ccccc1	306650381	FKRQYRMFTSJBEE-CQSZACIVSA-N	254.801	4.494	50	20	CIGD	
CSSCCNc1ccc(C(F)(F)F)cc1C#N	397974575	OGZPYEUWRDOGRV-UHFFFAOYSA-N	292.351	4.000	50	20	CIGD	
CC(C)Cn1cc(CBr)c(-c2ccccc2)n1	409443052	GBTROYYXJVWTRV-UHFFFAOYSA-N	293.208	4.101	50	20	CIGD	
CC(CC1CCC1)=NNC(=O)c1ccc2ccccc2c1	758372971	RTKLLULZYTUFKX-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cccc(C3CCC3)c2)c1	798981624	NLTRCYMXEULBSF-UHFFFAOYSA-N	294.398	4.328	50	20	CIGD	
Cc1nc(SCCO[Si](C)(C)C(C)(C)C)oc1C	840171841	PLIUKDIHSSBVHA-UHFFFAOYSA-N	287.501	4.405	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863177843	XUAGGZAPLYMNJY-RUDMXATFSA-N	287.306	4.289	50	20	CIGD	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CCl	1319674618	RMTHFJSKZUTIOO-UHFFFAOYSA-N	294.181	4.493	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1	184837421	NHFFSEOJKZMKIR-GZTJUZNOSA-N	291.350	4.184	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC2(CC2)C1	185318836	AZEJOSADYHVYHY-CYBMUJFWSA-N	299.505	4.103	50	20	CIGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1ccccc1	754175090	YWRPFSJTFIJYOX-LSDHHAIUSA-N	294.398	4.119	50	20	CIGD	
N#C/C(=C/c1ccccc1-c1ccccc1)c1ccncn1	758914881	IWVSOSYSLSQJPW-ATVHPVEESA-N	283.334	4.208	50	20	CIGD	
C[C@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)CC[C@H]1C	767384666	ICOIFGMAQMGYBF-ZJUUUORDSA-N	296.773	4.021	50	20	CIGD	
CN(N=Cc1cccc2ccccc12)C(=O)OC(C)(C)C	920381044	JNOWIXDMPVDKFV-UHFFFAOYSA-N	284.359	4.041	50	20	CIGD	
CC[C@H](C)c1nnc([C@H](Br)C(C)(C)C)o1	1325798078	KHEZHRUDLJQMSW-YUMQZZPRSA-N	275.190	4.065	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	6542718	XDOPUTZKPGGTFS-SFQUDFHCSA-N	261.324	4.039	50	20	CIGD	
CCCO[C@@H](CBr)c1cccc(Cl)c1	50479792	BHYMDDIZQTUTJR-NSHDSACASA-N	277.589	4.203	50	20	CIGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccsc1	741462683	KYDASEXSYHICHL-UHFFFAOYSA-N	294.379	4.055	50	20	CIGD	
CCCCCC(C)(C)C(=O)NNc1ccc(C)cc1	749200346	AXNXDMJUUSIJOZ-UHFFFAOYSA-N	262.397	4.045	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(C)cccc1C	755586827	CRNJESVFMQTHMR-NTEUORMPSA-N	281.380	4.463	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)s1	764884257	DTUJKTSKOPDCNQ-UVTDQMKNSA-N	281.380	4.409	50	20	CIGD	
COc1ccc2cc([C@H](C)Br)ccc2c1	36894536	XEEITBAXIABDJT-VIFPVBQESA-N	265.150	4.304	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1	255111686	LJAPWRCHWCHWRH-MDWZMJQESA-N	291.778	4.261	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)ccc1C	588597458	QFJGOTQTUCFYJC-ZSOIEALJSA-N	297.379	4.163	50	20	CIGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)c1ccccc1	753682095	AFWADNMZGJPFQA-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)C1CCCC1	761485117	DBKOFBJZQZGKPJ-YRNVUSSQSA-N	295.169	4.055	50	20	CIGD	
C[C@H](CBr)CN[C@@H](c1ccccc1)C1CCC1	770667366	QBKMQMJJLNIZOF-DOMZBBRYSA-N	296.252	4.148	50	20	CIGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)C1CCCC1	781553080	JJMMCCLNMARCBG-LCYFTJDESA-N	283.302	4.238	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1ccccc1	790100421	CAYAIPLHIARUPK-WQLSENKSSA-N	273.744	4.191	50	20	CIGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1c[nH]c2ccccc12	797399119	ZUZOTRZEOIHEOL-STQMWFEESA-N	297.402	4.100	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@H](C)c2ccccc2)cc1	837052895	MVNFWLQLFVOYSR-CQSZACIVSA-N	282.387	4.057	50	20	CIGD	
CC[C@@H](C)n1c(SC/C=C\C#N)nnc1-c1ccccc1	840193876	JBLJAXODDLZWAH-MEJMFZKBSA-N	298.415	4.088	50	20	CIGD	
Cc1cc(-c2ccccc2)ccc1NC=C(C#N)C#N	914744477	OLYVSMVUJWLGJB-UHFFFAOYSA-N	259.312	4.005	50	20	CIGD	
C[Si](C)(C)O[C@@H](C#N)c1cccc(Cl)c1Cl	169925846	JQVRJQQCFYBQJY-JTQLQIEISA-N	274.223	4.410	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1	179165602	CYBQCJRGIHCTKC-XTCQQWIJSA-N	297.354	4.354	50	20	CIGD	
CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184413148	WWQDYESRVDHKNH-UHFFFAOYSA-N	290.257	4.485	50	20	CIGD	
Cn1c(/C(C#N)=C/c2sccc2Cl)nc2ccccc21	588600923	VGSIJEDLZFLNQW-CSKARUKUSA-N	299.786	4.352	50	20	CIGD	
CC(C(=O)NNc1ccc(Cl)cc1Cl)=C1CCCC1	748017744	PFGNQTLNIDPWHH-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1cccc(Cl)c1	749157244	XCAVOUKGXNNVCR-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
CC(CCCC(C)C)=NNC(=O)c1ccc2ccccc2n1	764641776	RNWGRBMLSUZGTN-UHFFFAOYSA-N	297.402	4.167	50	20	CIGD	
C[C@H]1CC/C(=C\C(=O)NNc2ccc(C(C)(C)C)cc2)C1	780806412	PLUMNBGRTFTWMK-REQDGWNSSA-N	286.419	4.174	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	783806459	HPOVPFGOOYUKPS-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CCCN(N=C1CC[C@H](C)[C@H](C)C1)C(=O)OC(C)(C)C	794998517	QHBJOTIAUZRCKN-QWHCGFSZSA-N	282.428	4.446	50	20	CIGD	
CCC(C)(CC)C(=O)NNc1ccc(C(C)C)cc1	837053036	NNMMZTVWXFJYEW-UHFFFAOYSA-N	262.397	4.079	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1nccc2ccccc12	740765311	WEAVAWGWHBIMCD-PTNGSMBKSA-N	278.355	4.147	50	20	CIGD	
C[C@H](c1cccc2ccccc12)N1CC=C(C#N)CC1	779589968	MCFUUHRKOZYGST-CQSZACIVSA-N	262.356	4.056	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C)o2)c1C	7210174	QALKOFHDAWXKCZ-XNTDXEJSSA-N	296.370	4.206	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	7350265	HLPSDHNUTVXXQJ-GXDHUFHOSA-N	297.354	4.337	50	20	CIGD	
C[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	101692952	JDOZTGIYFIUMNL-OLZOCXBDSA-N	287.494	4.102	50	20	CIGD	
CC(C)Sc1cccc(Cl)c1C=C(C#N)C#N	195332713	MVZJHOPKCBTREN-UHFFFAOYSA-N	262.765	4.271	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1F	255563498	IQDJOBFRFZXFFL-MDWZMJQESA-N	285.343	4.294	50	20	CIGD	
N#C/C(=C\c1cccs1)C(=O)c1ccc2ncccc2c1	794884610	JNGQMFFVWFRQPI-GXDHUFHOSA-N	290.347	4.086	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2sccc2C)c1	915989963	HNDBEGWXUJOFFA-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
CC(C)C[C@H](C)O[C@H]1CCCC[C@H]1Br	251346701	AOBVUFNVRIVAJE-TUAOUCFPSA-N	263.219	4.144	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1cccc(F)c1	588597537	NUWRRNYNUAXQPT-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)s1	731211210	SKTQUHBBEJKONI-BENRWUELSA-N	289.400	4.093	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1ccc(F)cc1	755584042	IWJNDUWZNGRGGY-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)CC(C)C	767351679	IIHABWTYAAQNOP-JYRVWZFOSA-N	261.752	4.171	50	20	CIGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)C1CCCC1	781554792	WCTCAGLIJLGHOX-JYRVWZFOSA-N	286.400	4.077	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(F)c2C#N)n1	811690431	ARTAYEGRHSCELY-WUXMJOGZSA-N	297.358	4.341	50	20	CIGD	
CCCC(=CC(=O)NNc1ccc(OCC)cc1)CCC	817882333	JRVKBPNTFVUSMQ-UHFFFAOYSA-N	290.407	4.055	50	20	CIGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccs2)c1C	7208690	SZDWTANXYKZNJG-GXDHUFHOSA-N	296.395	4.142	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2sccc2C)c1	48837570	BDYXQMYJTPFJRN-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
Br[C@@H]1CCCCC[C@H]1OCC1CCCC1	203590480	DPCMIAIWBVHLMP-CHWSQXEVSA-N	275.230	4.289	50	20	CIGD	
CC(C)N(Cc1ccc(OCCCCl)cc1)C1CC1	811456152	FPZQNKAEPWNOIC-UHFFFAOYSA-N	281.827	4.067	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	834446581	BHHDTDWIWSIWHG-RAXLEYEMSA-N	273.351	4.208	50	20	CIGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)oc2C)cc1	6356224	FMXGWAUKIYVZCS-YBEGLDIGSA-N	294.354	4.005	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc2ccccc2s1	176955307	CMNWYBBVYKFDBZ-LCYFTJDESA-N	269.369	4.423	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccco2)cc1	192572713	CRVHFWZSMAVISO-PTNGSMBKSA-N	265.312	4.022	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc2ccccc2[nH]1	195171482	HFUJUWNARKNJPY-UKTHLTGXSA-N	277.302	4.075	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc(Cl)c2F)n1	255496114	TUDOXLICRMQUJN-YHYXMXQVSA-N	278.739	4.308	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)cccc1C	263639306	HBSXMEQYCXTQPY-WJDWOHSUSA-N	290.366	4.158	50	20	CIGD	
CC(C)C(CCc1ccccc1)=NNC(=O)CC(C)(C)C	728428892	LWVUPQDINVPVTE-UHFFFAOYSA-N	288.435	4.184	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741842996	WQEOLUJLZDQKHM-GJSJWPQCSA-N	285.318	4.484	50	20	CIGD	
N#C/C=C\COc1ccc(C(=O)c2ccc(Cl)cc2)cc1	763297700	JHDBHILHTCHSDB-UPHRSURJSA-N	297.741	4.030	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1C#N	766492459	YIUGAFLOEKEJPU-VIZOYTHASA-N	279.368	4.004	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)C1CCCC1	781554276	KUJAFCFGWTUCJJ-GXDHUFHOSA-N	265.312	4.099	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1ccccc1	69008400	ZVQCUUMULYLFRZ-OKBBDPFXSA-N	288.350	4.179	50	20	CIGD	
CC(C)(CBr)CCOCc1ccccc1	307066582	KCDIGIXJBRDSBT-UHFFFAOYSA-N	271.198	4.014	50	20	CIGD	
FC(F)(F)C[C@@H](CBr)C1CCCC1	396878160	AITVYDCIQVSYGP-QMMMGPOBSA-N	259.109	4.140	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)C1CCCC1	761385414	MJOSOJCWZKMHDV-JXMROGBWSA-N	299.317	4.433	50	20	CIGD	
Cc1ccccc1[C@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785378537	PMXYIPDVNPPLND-YSKWHIJTSA-N	291.350	4.206	50	20	CIGD	
Cc1cccc(NNC(=O)[C@H](C)CC2CCCCC2)c1	1116070846	GELVRQVYENGDHW-CQSZACIVSA-N	274.408	4.045	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)cc(C)c1	741475224	WITGYBQSANXUTJ-KWZJRMENSA-N	255.361	4.216	50	20	CIGD	
C[C@@H](CC1CCCC1)C(=O)NNc1c(F)cccc1Cl	770203145	FIGROJLSIXQRCL-JTQLQIEISA-N	298.789	4.139	50	20	CIGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)c1ccccc1	776721060	CHJSRBZUTGHOLR-MLPAPPSSSA-N	285.705	4.269	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc2cnccc2c1	780004185	HOSWPHCSXCQIBD-SXGWCWSVSA-N	278.355	4.147	50	20	CIGD	
CCCCCCCCCCC(=O)N1CC=C(C#N)CC1	780686118	JRYOSDJDLNWHOD-UHFFFAOYSA-N	276.424	4.199	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)C1CCCC1	781555009	BODGNGFCVPKMCU-LCYFTJDESA-N	259.736	4.006	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CC[C@H]2CCCC[C@@H]2C1	916361351	YUMXOZKCYVVHGE-HUUCEWRRSA-N	284.403	4.071	50	20	CIGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1ccccc1F	750818669	ZSRNSZBXJXKGQJ-RVDMUPIBSA-N	291.325	4.493	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	753682360	FTJDKUINZHNGBV-GHXNOFRVSA-N	279.742	4.391	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(C)o1	767877578	HHPZJEQQZNOGCN-CXUHLZMHSA-N	294.354	4.059	50	20	CIGD	
CC(CCC1CC1)=NNC(=O)c1c(Cl)cccc1Cl	768778156	XJNVRAALYDWYQP-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)s1	772179993	UAPMTIHJPSNAMI-XFXZXTDPSA-N	285.343	4.239	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1cc(F)cc(F)c1	773172348	RERBGBQTRGUYCP-STIUHYITSA-N	295.288	4.311	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1ccccc1	779220850	JHRBQWDHFOWUBS-FLIBITNWSA-N	273.744	4.191	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(C2CC2)c1	817346955	ZHLTVXPTGCQFNL-SEJMYLSOSA-N	253.345	4.086	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(C)C)nc2)cc1	837052488	GAZSYQZOGYRQQC-UHFFFAOYSA-N	297.402	4.085	50	20	CIGD	
C[C@H](CCC#N)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844336753	NWFQAPRTWYCHGX-CABCVRRESA-N	296.531	4.165	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)s1	916132178	WUKXSWOYPXBFIB-LCYFTJDESA-N	293.351	4.171	50	20	CIGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(F)cc1F	1321839888	QPQFBINKSFRSKW-LLVKDONJSA-N	296.361	4.014	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)o1	8117921	MEYWXJGTEMSPPH-DBWOGOFASA-N	295.313	4.332	50	20	CIGD	
Clc1ccc(CCCBr)c(Cl)c1	60712558	CSYYXSGFVDABMR-UHFFFAOYSA-N	267.981	4.321	50	20	CIGD	
CCC1CCC(CBr)(OCC(C)C)CC1	71125309	BISYPLMBOXCBLZ-UHFFFAOYSA-N	277.246	4.393	50	20	CIGD	
C[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	101692949	JDOZTGIYFIUMNL-QWHCGFSZSA-N	287.494	4.102	50	20	CIGD	
CCN(CC)c1ccc(/C=C(/C#N)c2ccccn2)cc1F	128393585	ABRDPMWVSLALNB-PTNGSMBKSA-N	295.361	4.131	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(F)cc2Cl)n1	128742721	VBBVOEOYAUWWEP-ONNFQVAWSA-N	278.739	4.308	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccccc1OC(C)C	726118573	ODTYFRSOWYWPGA-WJDWOHSUSA-N	285.387	4.386	50	20	CIGD	
O=C(CC1CCCC1)NN=Cc1c(Cl)cccc1Cl	749449696	JGKNOXQTBGOQFT-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
CCC(C)(C)OCc1cccc(NC=C(C#N)C#N)c1C	749810128	IXIHAQMKIKETSO-UHFFFAOYSA-N	283.375	4.043	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@@H](c2cccc(F)c2)C1	750796080	NTZFWGKRWOIVAE-CNQPKBAFSA-N	292.357	4.180	50	20	CIGD	
N#C/C=C\CSc1nc(-c2ccco2)nc2ccccc12	763303075	GCXNSAKDHGUTFW-ARJAWSKDSA-N	293.351	4.062	50	20	CIGD	
C[C@@H](c1ccccc1)N(C[C@@H](C)CBr)C1CC1	770654338	BYXCSQFAXFOWMW-STQMWFEESA-N	296.252	4.243	50	20	CIGD	
C=CCCCCCC(C)=NNC(=O)c1ccccc1F	788954526	LECOERWGWVYTHJ-UHFFFAOYSA-N	276.355	4.068	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NCC1=CCCCC1	833343001	CQWRSRFSFOSVEI-AWEZNQCLSA-N	299.505	4.317	50	20	CIGD	
CC(=NNC(=O)c1ccc(Cl)cc1)C1CCCCC1	916254480	XVKDUCHSYLXJMK-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCCCC1	101614353	IVLVDRNTZHNERU-CYBMUJFWSA-N	287.494	4.103	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1ccccc1	212839445	ZVQCUUMULYLFRZ-AYCYWLMJSA-N	288.350	4.179	50	20	CIGD	
CC[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	727734241	LMYCKTDEDUHOSA-CHWSQXEVSA-N	287.494	4.102	50	20	CIGD	
CCCC(CCc1ccccc1)=NNC(=O)OC(C)(C)C	740760342	RXTWILCNFHAJCJ-UHFFFAOYSA-N	290.407	4.300	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747691030	TVJBGNWYRDENHE-ATVHPVEESA-N	290.366	4.271	50	20	CIGD	
O=C(CCCC1CCCC1)NNc1ccccc1Cl	748319191	ZADFCJRUQJUDGY-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	782201123	POUCGXNCIZSXRF-VPMLRQHESA-N	279.742	4.391	50	20	CIGD	
Cn1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)c1	788328787	QIPIDNTYSNETKS-RIYZIHGNSA-N	292.363	4.030	50	20	CIGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(C2CCC2)c1	798983190	YFGRYBIAXZZYOI-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
N#C/C(=C\c1cccc(O)c1Cl)C(=O)C1CCCCC1	834430787	YRVPYGPQNBQCFJ-UKTHLTGXSA-N	289.762	4.102	50	20	CIGD	
CC(=O)NN=Cc1c2ccccc2c(Cl)c2ccccc12	916267407	QSSBMIBPGRKKNC-UHFFFAOYSA-N	296.757	4.116	50	20	CIGD	
CC(CCC(C)C)=NNC(=O)c1cc2ccccc2cc1O	916270937	WRGDZSIETLWANZ-UHFFFAOYSA-N	298.386	4.087	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2C)cc1	211453228	FPCFUTZTKGCQMI-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1cccc2ccccc12	212021085	ONSFYSPWJCRFTQ-VBKFSLOCSA-N	279.339	4.090	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)CC(C)C	255311040	RECZQDCDSOBELM-LCYFTJDESA-N	267.328	4.263	50	20	CIGD	
CCCCCC(C)(C)C(=O)NNc1ccc(F)cc1F	753342570	YLJDHIDYVQDNFP-UHFFFAOYSA-N	284.350	4.014	50	20	CIGD	
CCN(Cc1cccs1)/C(=C/C#N)c1ccc(F)cc1	764121465	PSBNENNAHRLBBG-CXUHLZMHSA-N	286.375	4.274	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2Cl)cc1	764891562	LWKOUJSIAQHZCD-GDNBJRDFSA-N	281.742	4.438	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1	774557968	HAUZMAWWIOXIFH-OQLLNIDSSA-N	296.301	4.415	50	20	CIGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccccc1C	779761238	LDMSUYSKBPAUNZ-ZDUSSCGKSA-N	274.408	4.173	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccsc1Cl	790098953	CCWSVNPQCMYVNY-POHAHGRESA-N	267.781	4.314	50	20	CIGD	
COc1cccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1	810216356	IIPMUSHVCVFLIN-ZSOIEALJSA-N	297.741	4.138	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	130091359	SHKKGNHKUZTRGS-JTTRITNRSA-N	281.277	4.016	50	20	CIGD	
CSc1cc(/C(C#N)=C\c2ccc(C(C)C)cc2)ncn1	773176068	IVUGTZZZYWUAFE-NVNXTCNLSA-N	295.411	4.386	50	20	CIGD	
N#Cc1cccc(C(=O)/C=C\c2cccc(CCl)c2)c1	799891407	PUDCGMWNWFLCHL-FPLPWBNLSA-N	281.742	4.193	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccnc2Cl)cc1C	809160282	LOGLAGYIXIBLHM-DHDCSXOGSA-N	296.757	4.142	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(F)c2C#N)n1	811690430	ARTAYEGRHSCELY-SDQBBNPISA-N	297.358	4.341	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	834447657	PGQGZLTYMDNEBY-UTCJRWHESA-N	292.162	4.279	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2occc2C(C)C)cc1	837052569	CAOVKVOBLVINJN-UHFFFAOYSA-N	286.375	4.283	50	20	CIGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1cc2ccccc2o1	255888504	LPAUNMRPKATUOM-SXGWCWSVSA-N	298.301	4.094	50	20	CIGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(C)cc1	749200585	NZVGBGNKNPJWEX-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1F	759645522	YXOPESOKVPZPIW-MXFUOJGSSA-N	265.715	4.001	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772797924	REQCANZJXWKXMI-SYUPGTOSSA-N	299.267	4.367	50	20	CIGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C12CCC(CC1)C2	791719595	JJOOBWJVTWZVCL-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
O=C1/C(=C\c2cccc(CCl)c2)COc2ccccc21	799888200	BHEMXAJWDYQRSB-ZROIWOOFSA-N	284.742	4.084	50	20	CIGD	
C[C@@H](C=NN(C)C(=O)OC(C)(C)C)C1CCCCC1	814813414	OFNXWLXPLALXHT-LBPRGKRZSA-N	268.401	4.056	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H]1c1ccsc1	1346279656	HDKIMPPHXXMCGK-UXUKBGGZSA-N	297.851	4.209	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1coc2ccccc12	160216182	ZCGBGSKREANXIN-XYOKQWHBSA-N	277.279	4.124	50	20	CIGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)CCC(C)(C)C	755570595	GTWZVJVXDWSPKM-LLVKDONJSA-N	280.387	4.040	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3ncccc3c2)cc1	764917600	WPIWMJSAFDTUCM-LDADJPATSA-N	298.345	4.333	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cscc2Cl)n1	771836216	AZXQJICJRJBDFJ-WAPJZHGLSA-N	266.778	4.231	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)C1CCCCC1	771837235	GWQVWCOTASHKKP-IZZDOVSWSA-N	279.792	4.458	50	20	CIGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)C1CCCC1	781554986	BLOKFVOPMKFKAZ-WJDWOHSUSA-N	265.356	4.230	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)c1ccc([N+](=O)[O-])cc1	790210511	GAXBXYGKGOXNNM-YRNVUSSQSA-N	290.731	4.374	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1sccc1Cl	803362048	SRMBDHHYRKFGRO-UHFFFAOYSA-N	294.807	4.029	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cn(C)c2ccccc12	807959984	INISNKDSDSBUEF-ZDUSSCGKSA-N	299.418	4.110	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2C(C)C)c1	830785857	BLTBAQKJOIQAAQ-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	125465016	BGZYXMMDUCADKK-LCFDYFRESA-N	290.432	4.353	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	755569718	KPHPQXVJKDSDKK-GDNBJRDFSA-N	278.311	4.276	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C)c2C)cc1	764884619	GDUYFNKEACCTQZ-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
N#C/C(=C/c1ccc2cnccc2c1)c1nc2ccccc2[nH]1	779220384	AHIISWRKBUSLEW-YBEGLDIGSA-N	296.333	4.175	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1ccccc1	779220849	JHRBQWDHFOWUBS-DHZHZOJOSA-N	273.744	4.191	50	20	CIGD	
CCCN(N=Cc1ccsc1C)C(=O)OC(C)(C)C	814927210	BQCOZCQEURBQJR-UHFFFAOYSA-N	282.409	4.038	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(C2CC2)c1	817345679	HWANLFKJQZEEIN-YBEGLDIGSA-N	253.345	4.086	50	20	CIGD	
CCCCCCC=NNC(=O)c1ccccc1Cl	1335769213	YSERQLXDTOQKAE-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N(Cc1cccs1)C1CC1	1350871358	CUQZZRFDXRLGBN-UHFFFAOYSA-N	297.851	4.037	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)C(C)(C)C	133008057	HZTCQPPDWBXIDG-XFXZXTDPSA-N	267.328	4.263	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	255294407	CNBKTCQXZXHILG-IZZDOVSWSA-N	265.715	4.001	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2ccccc2c1	726428750	PJFIIHFRSGUKAS-GPLLRDDGSA-N	263.340	4.362	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	733206441	KAERXWFBIWJAIJ-ISAHRAOESA-N	299.267	4.367	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)C(=O)C1CCCC1	758039349	JUCLCATWDSWTMY-PJTBNZIESA-N	287.309	4.187	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761384294	GLVMFGLDYLKRMG-CYXIBPNKSA-N	287.306	4.289	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)c1ccoc1	798230308	OYHVUOKQWJETFI-VZUCSPMQSA-N	292.121	4.376	50	20	CIGD	
O=C(CCl)Nc1cccc(CSC2CCCCC2)c1	1116437563	HNLGFFTZLLZVAL-UHFFFAOYSA-N	297.851	4.430	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnc(Cl)c(C)c1	1319199844	IXPBBQIWIFVNSU-RIYZIHGNSA-N	296.757	4.142	50	20	CIGD	
CCc1oc2ccccc2c1/C=C(\C#N)c1ccccn1	7055422	UEVUAYANNQFMPS-ACCUITESSA-N	274.323	4.454	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	7164353	ZAAZDQKTKLBEJJ-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CC[C@H](CBr)CCOCc1ccccc1	306294939	YKGUXEVHWWPGIS-LBPRGKRZSA-N	271.198	4.014	50	20	CIGD	
CC(C)(C)c1ccc([C@@H](F)CBr)cc1	575623162	KEYXYBQFIPAOAD-NSHDSACASA-N	259.162	4.390	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)c1cccc(F)c1	773172311	QHHVOBWMHYOURK-IPHHFEJXSA-N	295.288	4.311	50	20	CIGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)C1CCCC1	776720193	IVRSTQSASJWMIH-XGICHPGQSA-N	277.726	4.145	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777872428	URZKVRZLBRENCA-GARZTLJTSA-N	293.313	4.119	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(CCl)c1	799891229	BEEGNRGYRLWUTM-DGGAMASNSA-N	275.779	4.338	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2c(c1)CCC=C2	807120137	ANKOPTMAZHJLSA-UHFFFAOYSA-N	298.773	4.056	50	20	CIGD	
N#C/C(=C/c1ccccc1F)c1cc(C(F)(F)F)ccn1	812248154	FSTXBYPVIBWULM-XFFZJAGNSA-N	292.235	4.304	50	20	CIGD	
C[C@H](Br)Cc1ccc(Cl)c(Cl)c1	70503540	LJOCQIAVNOLEHO-LURJTMIESA-N	267.981	4.319	50	20	CIGD	
CCC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	192190574	YQZMKMBYBNXELF-LBPRGKRZSA-N	289.510	4.253	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccccc2F)c1	212676902	WAMVFGOEXYINOX-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
CC(C)C(=NNC(=O)c1c(Cl)cccc1Cl)C1CC1	727779290	WCKLAVTVQVZCIL-UHFFFAOYSA-N	299.201	4.145	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C)cc1C	741473618	JPNVPPLWEIRVSG-RKPNYOAGSA-N	255.361	4.216	50	20	CIGD	
C[C@@H](CBr)CN[C@H](c1ccccc1)C1CCC1	770667368	QBKMQMJJLNIZOF-SWLSCSKDSA-N	296.252	4.148	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)C1CCCCC1	771837240	GWQVWCOTASHKKP-WDZFZDKYSA-N	279.792	4.458	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1F	779221599	YQUCBSRGUQDTDN-GDNBJRDFSA-N	295.313	4.014	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)s1	794875515	WWJBZXKBTCYUCN-CLFYSBASSA-N	267.781	4.314	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2cc(C)c(C)c(C)c2C)cs1	806553822	ZQZGGQXBOZZWND-SQFISAMPSA-N	297.427	4.257	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)c1ccoc1	806557823	ZYEJVSMGCSMQOB-JYOAFUTRSA-N	292.121	4.376	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C2(F)CCCCC2)cc1	810980701	GQALACCAPYFMLC-UHFFFAOYSA-N	292.398	4.100	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)ccc1Cl	812245205	NVLGTSAZWPFISH-GHXNOFRVSA-N	299.717	4.016	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)o1	843263973	GGDSJSGUFBKXCP-XFFZJAGNSA-N	270.357	4.240	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1c(F)ccc(F)c1Cl	863177676	UFSBHXQKGSNKQS-VURMDHGXSA-N	283.705	4.140	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)o1	155229081	JEDLBUNZIJBCIY-XFFZJAGNSA-N	272.373	4.486	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)O[C@@H]1C=CCCC1	733412283	QCQRKOBJAOGKEN-OLZOCXBDSA-N	286.462	4.352	50	20	CIGD	
C[C@@H](c1ccccn1)N(C)CCO[Si](C)(C)C(C)(C)C	788020815	IQEIQRWJLNRCDL-AWEZNQCLSA-N	294.515	4.096	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(C2CC2)c1	817346953	ZHLTVXPTGCQFNL-HMHNVIDESA-N	253.345	4.086	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	125835890	ALGXUGYWVIYLLW-GXDHUFHOSA-N	265.312	4.079	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1F	194530966	QYYNYAALJZJCDU-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(CN(C)/C(=C\C#N)c2ccccc2)s1	255591335	UWMJBUQDJJYHLC-YBEGLDIGSA-N	268.385	4.053	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2ccoc2C)c1	588488702	KOYKHPVFMYURJA-ZROIWOOFSA-N	297.379	4.490	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1csc2ccccc12	726429808	VZOIHIIDPZHRJN-OYGDSYQHSA-N	269.369	4.423	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1	726594341	JMVGVALHTVDJRQ-UVIKPUKZSA-N	297.276	4.107	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(C)c1	741473134	GNUUELQCGBHNBM-LUHPIMIVSA-N	259.324	4.046	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	749893224	DRVVNOKIPXFXQM-NWFCWYBLSA-N	294.354	4.254	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CC2(C)CCCCC2)c1	753657009	RQGSVYZVIBVFMZ-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
COc1ccsc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	764417140	MEUPQLGVRHGDIZ-DHZHZOJOSA-N	295.367	4.006	50	20	CIGD	
CC[C@@H](CC(=O)NCCSSC)c1ccc(C)cc1	791099395	GRDBNQHZBPQFAH-ZDUSSCGKSA-N	297.489	4.006	50	20	CIGD	
N#C/C(=C/c1cccs1)C(=O)c1ccc2ncccc2c1	794884614	JNGQMFFVWFRQPI-UVTDQMKNSA-N	290.347	4.086	50	20	CIGD	
CCCN(N=C1CCC[C@H](C)C1)C(=O)OC(C)(C)C	794997734	DDRJHUCDJNQSDP-LBPRGKRZSA-N	268.401	4.200	50	20	CIGD	
CCCC1CCC(=NNC(=O)c2cc(C)cs2)CC1	863155900	CYFWENPTLYNYMA-UHFFFAOYSA-N	278.421	4.133	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccsc1	44028099	VSIDCRMGEUVYMK-KPKJPENVSA-N	273.744	4.191	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccccc2)c1	48833125	QFQAHWOFHRTRSI-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
Cc1ccccc1[C@@H](CBr)OC(C)(C)C	50479944	XOGUYIKQNFAKNW-GFCCVEGCSA-N	271.198	4.246	50	20	CIGD	
C[C@H]1CCC[C@@](CBr)(OC(C)(C)C)C1	50503469	NAXIPGWTJQPTQD-CMPLNLGQSA-N	263.219	4.145	50	20	CIGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)c1ccccn1	127711010	MUUOFSZPFUDIPK-PDGQHHTCSA-N	283.334	4.208	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccnc2Cl)n1	176939792	GNYAXDWFAZGGHO-IZZDOVSWSA-N	289.791	4.379	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1F	254943905	BLFSHMURNDBBPU-NTUHNPAUSA-N	285.343	4.294	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)C)c(C)n1CC(C)C	726182970	CYOCVQMUXKUZDK-MFOYZWKCSA-N	286.419	4.283	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cscc1Cl	771838371	PFYVPGCFNHMEDY-WTKPLQERSA-N	267.781	4.314	50	20	CIGD	
Cc1ccc(C(=O)NN=C2CCC3(CCCCC3)CC2)o1	786036807	OBLSDNXIHJAILJ-UHFFFAOYSA-N	288.391	4.198	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)c1ccoc1	806557829	ZYEJVSMGCSMQOB-QDEBKDIKSA-N	292.121	4.376	50	20	CIGD	
C=C(C)C(C)(C)C(=O)NNc1cccc(Cl)c1Cl	819560843	HQEQNFSMPPVABM-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)OCC1CCCC1	918507339	KLZOETBZIOBHCL-ZDUSSCGKSA-N	288.478	4.434	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc2ncccc12	1330056699	TUUDGRAHEZOOSM-UVTDQMKNSA-N	278.355	4.147	50	20	CIGD	
N#CC(C#N)=CNc1cc(Cl)ccc1Oc1ccccc1	15241071	QDDBJIRTHIFOLP-UHFFFAOYSA-N	295.729	4.475	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	125465859	QRIFMGOOEDVTRM-KWJWQAOWSA-N	293.313	4.200	50	20	CIGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1cccc(F)c1	193161269	PRJUKSHRYKZXSI-MMPACVFLSA-N	277.298	4.172	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(F)cc1Cl	254950391	BONCVTPNNODMSR-WDZFZDKYSA-N	265.715	4.001	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)cc3)[nH]c12	735619398	MJQQVVYRAXPPJW-LCYFTJDESA-N	277.302	4.075	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1Cl	766286790	BHMHJUPLBFVQFM-OQLLNIDSSA-N	281.742	4.438	50	20	CIGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CC12CCCC2	791739071	FEPOVKIZBDZAMQ-GFCCVEGCSA-N	299.201	4.017	50	20	CIGD	
CCCN(N=C(C)c1cccc(F)c1)C(=O)OC(C)(C)C	794996234	BRYBRBCBCOWGDE-UHFFFAOYSA-N	294.370	4.197	50	20	CIGD	
Cc1ccnc(NC(=O)CCCC[C@@H]2CCSS2)c1	69190335	BJVONXZEMXRRLZ-GFCCVEGCSA-N	296.461	4.043	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1	184840624	ARCWCSUADKSICC-YVLHZVERSA-N	291.350	4.107	50	20	CIGD	
O=C(C[C@@H]1C=CCC1)NN(c1ccccc1)c1ccccc1	302593288	NPPALLGUPNWHEY-MRXNPFEDSA-N	292.382	4.212	50	20	CIGD	
C=CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	690179690	JKKMPSGILNQHFM-UHFFFAOYSA-N	273.226	4.469	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCC2CCCC2)cc1	726353884	VFBUUELGJRLNFX-SFQUDFHCSA-N	283.371	4.026	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc2cccc(OC)c2o1	741470004	OOVBUXIMNPONFJ-HLVNSREUSA-N	297.354	4.354	50	20	CIGD	
CCc1ccc(C(=O)NN=C[C@@H](CC)c2ccccc2)cc1	814744894	CEBNDNFFWRYKFD-MRXNPFEDSA-N	294.398	4.158	50	20	CIGD	
CC[C@H](C)c1ccc(NC(=N)NCCSSC)cc1	849003354	HWLKRRQZTDDPKM-NSHDSACASA-N	297.493	4.148	50	20	CIGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)c1ccccc1Cl	1116461777	WYILDXUJSVMXJO-JSGCOSHPSA-N	290.794	4.048	50	20	CIGD	
O=C(CCC1CCCCC1)NNc1cccc(Cl)c1	301242878	VCHALTMARJPOLE-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CCC(=NNC(=O)C1CCC1)c1ccc(Cl)cc1Cl	731933739	QZVXPAHGIPIGHC-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cscc1Cl	771840411	ZTWARFCHSLIXHL-BJMVGYQFSA-N	267.781	4.314	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1Cl	781554384	NYGSRYUGDUYJQU-NTEUORMPSA-N	273.763	4.315	50	20	CIGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCC(F)(F)F)C1	852524988	RBFTWXRJCHNGRC-NSHDSACASA-N	297.437	4.035	50	20	CIGD	
N#C/C(=C/c1cccc2c1OCC2)c1nc(C2CC2)cs1	899345848	WPBBVTSZFNKVEJ-ZSOIEALJSA-N	294.379	4.020	50	20	CIGD	
CC/C=C(/C)C(=O)NN(c1ccccc1)c1ccccc1	918540104	GYISSCQIDZLDJG-GDNBJRDFSA-N	280.371	4.212	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2C)cc1	7157362	FPCFUTZTKGCQMI-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccc(F)cc1	8202523	KCTSJMYFVSRDCF-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2C)s1	105570433	XWWKJBOAULNXCE-JYRVWZFOSA-N	285.343	4.294	50	20	CIGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)C1CCCCC1	130181835	ACJUWPMOFZLAEZ-WJDWOHSUSA-N	283.371	4.060	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cnc(C(C)(C)C)s2)n1	193864755	VMUKVVZOASMJJU-BJMVGYQFSA-N	289.429	4.270	50	20	CIGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)[C@H](C)CC)cc1	726427908	ATDFIGRHFFPILP-IZCBMXNHSA-N	285.387	4.388	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	726429822	WDRDEHKMURDXFB-VGSSETLESA-N	293.366	4.371	50	20	CIGD	
CCCN(N=C[C@H]1CC[C@@H](C)C1)C(=O)OC(C)(C)C	794996670	UMDXAGGWCVVGEW-OLZOCXBDSA-N	268.401	4.056	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(SC)s1	840721043	VSROQEGCABKHGL-NTMALXAHSA-N	279.430	4.382	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	918733090	HQYLGTDXOWBAEI-CURXYISGSA-N	298.342	4.063	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccn2C2CC2)cc1C	1345076480	IUXOOUAXZXWXNR-WJDWOHSUSA-N	290.366	4.230	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc2ccoc12	1348487143	CJQJIMMJMYQCLA-NTEUORMPSA-N	267.328	4.345	50	20	CIGD	
Clc1cccc([C@H](CBr)OC2CCC2)c1	52147024	QSRGMRRUCBBGTG-LBPRGKRZSA-N	289.600	4.345	50	20	CIGD	
FC(F)(F)CO[C@@H]1CCCCCC[C@H]1Br	158359434	NIQLDUDIXVZUQF-RKDXNWHRSA-N	289.135	4.052	50	20	CIGD	
N#C/C(=C\c1cccs1)C(=O)c1ccc(Cl)s1	588424906	PZZPSYOVZNGDMQ-SOFGYWHQSA-N	279.773	4.253	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1C	732716764	YOMKAWDKMBZLOQ-ATVHPVEESA-N	296.414	4.002	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C)c(C)c1	741468221	DNPSQGVICZQNOL-ATTDUZETSA-N	255.361	4.216	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2cc(F)ccc2F)sc1C	741475271	WZAKRUOZNAWWLU-VZUCSPMQSA-N	276.311	4.102	50	20	CIGD	
CCCCCC(C)(C)C(=O)NNc1cccc2cnccc12	748762912	IOUUDJKJUVTHGJ-UHFFFAOYSA-N	299.418	4.284	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(F)cc1Cl	767713736	MGHXJYZBYZOKIK-WDZFZDKYSA-N	279.742	4.391	50	20	CIGD	
Cc1ccccc1[C@H]1CCCN1C[C@@H](C)CBr	770648013	NTCUDWKLMLEUOA-SWLSCSKDSA-N	296.252	4.163	50	20	CIGD	
CC[C@H](C)[C@H](C)C(=O)NNc1c(C)cccc1C(C)C	812766635	LGMHAVQNFNPNCC-JSGCOSHPSA-N	276.424	4.244	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2sc(C)cc2C)c(C)c1	866873633	VEXBSRVCVOMBFJ-UHFFFAOYSA-N	288.416	4.047	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1ccc2ccccc2n1	915932675	ZCOQIKNUWXMYGL-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
O=C(NN=CC1CCCCCC1)c1ccccc1Cl	1252096829	GHNBEGYXPSKMLB-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CC(C)CC[C@H](NC(=O)CCl)c1ccc(Cl)cc1	1341509518	FTKOFDHIMJHHEZ-ZDUSSCGKSA-N	288.218	4.172	50	20	CIGD	
Cc1cccc([C@@H](CBr)OC2CCCC2)c1	50480468	PJGVACKHORTLJL-CQSZACIVSA-N	283.209	4.390	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(CC)s1	741472954	DCXMCTLPJSXDJM-LWMMSDEHSA-N	261.390	4.223	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)CCC(C)(C)C)c1	755563182	OQWBWZFWVBBJIL-AWEZNQCLSA-N	276.424	4.209	50	20	CIGD	
Cc1ccccc1[C@@H]1CCCN1C[C@@H](C)CBr	770648021	NTCUDWKLMLEUOA-WFASDCNBSA-N	296.252	4.163	50	20	CIGD	
Cc1csc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)c1	863157263	WJUIQXVEGRNYFL-CQSZACIVSA-N	298.411	4.110	50	20	CIGD	
CCCC1CCC(=NNC(=O)c2ccccc2Cl)CC1	5457230	NUAOLZJFVHXXOQ-UHFFFAOYSA-N	292.810	4.416	50	20	CIGD	
Cc1ccncc1NC(=O)CCCC[C@H]1CCSS1	104452467	XAQYFRGFAPZTAH-LBPRGKRZSA-N	296.461	4.043	50	20	CIGD	
CCCN(N=CCC(C)(C)SC)C(=O)OC(C)(C)C	495794094	KZASKGCHJRSBDE-UHFFFAOYSA-N	288.457	4.151	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1C1CC1	751037816	NYUOLEVURSWISU-XDUBLRSXSA-N	267.372	4.476	50	20	CIGD	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1ccncn1	758917625	XPOPKMIBCWGBOI-LFIBNONCSA-N	299.333	4.333	50	20	CIGD	
Cc1ccc(NNC(=O)c2cc3cccc(C)c3s2)cc1	809590085	RIHQAMIYRUKDRF-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CC[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	916353450	NOAYPXMOTQACCR-MNOVXSKESA-N	292.448	4.025	50	20	CIGD	
C[C@H]1CCC[C@](CBr)(OC(C)(C)C)C1	50503472	NAXIPGWTJQPTQD-JQWIXIFHSA-N	263.219	4.145	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(F)cc1Cl	178299446	BONCVTPNNODMSR-IZZDOVSWSA-N	265.715	4.001	50	20	CIGD	
F[C@@H](CBr)Cc1cccc2ccccc12	585142144	GSDVJDHSFSFUPI-GFCCVEGCSA-N	267.141	4.115	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1C	741468583	WDYAPWULVYHIGI-OVCLIPMQSA-N	268.385	4.441	50	20	CIGD	
Cc1ccc(Oc2ccccc2)c(NC=C(C#N)C#N)c1	753562870	FKZMANSKZHYJQR-UHFFFAOYSA-N	275.311	4.130	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cscc1Cl	771838366	PFYVPGCFNHMEDY-RUDMXATFSA-N	267.781	4.314	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1Cl	779706389	BTFCRNBPTCLZPN-UVTDQMKNSA-N	296.757	4.194	50	20	CIGD	
Cc1cc(C)c(C(=O)NNc2ccccc2Cl)c(C)c1	192840447	AUUWJDQYBBKODK-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
C[C@H]1CC[C@](CC=O)(O[Si](C)(C)C(C)(C)C)C1	536950259	NROFZRGLIOPVJW-GXTWGEPZSA-N	256.462	4.156	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(C)c1	741473135	GNUUELQCGBHNBM-RLIURORJSA-N	259.324	4.046	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@H]1Cc1ccccc1	752313519	GEMSPDCODMNTHT-HRYJJRBTSA-N	292.357	4.007	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C/c2ccccc2)cc1	764918886	BUZSKPIXBFFWSJ-HYZSBJHASA-N	273.335	4.341	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccccn2)cc2cccnc12	783697321	OLNLILPJBQFIIN-LFIBNONCSA-N	271.323	4.002	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)OC1CCCCC1	790099723	MHZBMCGJFRLYQD-DHZHZOJOSA-N	295.791	4.184	50	20	CIGD	
N#C/C(=C\c1cccc(C2CC2)c1)C(=O)C1CCCC1	817345716	ISQQPYVKFANXNH-GZTJUZNOSA-N	265.356	4.230	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)c2cccs2)cc1	837053448	DQOJLIKOAQYBBT-LBPRGKRZSA-N	288.416	4.118	50	20	CIGD	
CCCCC(C)=NNC(=O)c1ccc(Cl)cc1Cl	916360123	IIBXLDKQVVJYGE-UHFFFAOYSA-N	287.190	4.289	50	20	CIGD	
CC(C)CO[C@H](CBr)c1ccc(Cl)cc1	50480869	IHJINBFJEYMPQD-GFCCVEGCSA-N	291.616	4.449	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccccc1	118770994	CHEFTFDLTFFGKL-CQSZACIVSA-N	295.473	4.017	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1C	729820640	UMIQCDVTHJEHSX-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C/c1ccccc1	746684344	NCTYOAFBRGLDEP-MSNJMMSUSA-N	279.364	4.403	50	20	CIGD	
Cn1c(/C(C#N)=C/c2ccsc2Cl)nc2ccccc21	790102168	ZWHWNXCACPHAMH-DHZHZOJOSA-N	299.786	4.352	50	20	CIGD	
N#Cc1ccc(C(=O)/C=C/c2cccc(CCl)c2)cc1	799890122	ZDHVZJDMPBRDHS-RMKNXTFCSA-N	281.742	4.193	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1cccc(F)c1	799892423	LTCMUIMEWRWDAM-OVCLIPMQSA-N	299.732	4.354	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc2cc(Cl)cnc2o1	834398749	QZULCSFNADCELA-UXBLZVDNSA-N	288.734	4.003	50	20	CIGD	
CC[C@H](Cl)c1nc(O)c2cc(C(F)(F)F)sc2n1	841500900	PFXUXGCDVOVISW-YFKPBYRVSA-N	296.701	4.106	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)cc1F	44028511	JLVDGMGNIWCZEL-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(O)c2)n1	176919491	SXHDOUHEKJSGGJ-SDQBBNPISA-N	270.357	4.036	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	726428445	MDLGITSBLCQGCL-MJWAUXSNSA-N	281.277	4.228	50	20	CIGD	
N#C/C(=C/c1cccnc1Cl)c1ccc2ccccc2n1	728699173	QUHMXNFLTHQOJJ-UVTDQMKNSA-N	291.741	4.347	50	20	CIGD	
C[C@H](CCC1CCCCC1)NC(=O)NNc1ccccc1	734677266	NXOMYZMPUSSVQU-CQSZACIVSA-N	289.423	4.062	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cc3cc(F)ccc3o2)n1	742349912	MDEDPFQKCWMAIS-WDZFZDKYSA-N	284.315	4.401	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CC[C@H]2CCCC[C@H]2C1	749450682	ZNZCKBZLNWQVKE-CABCVRRESA-N	276.424	4.029	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1C	772172564	UWTKYKPSUFFVAC-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc(OCC)cc1	817899007	DFSFSRWNPTYVGV-CQSZACIVSA-N	292.423	4.135	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccccc2C)c1C	1338501133	POUWDHIQBYUFJK-GZTJUZNOSA-N	292.382	4.223	50	20	CIGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccco1	8200389	GWPRJBBICAAFCW-DHZHZOJOSA-N	291.228	4.088	50	20	CIGD	
CC(C)CO[C@@H]1CCCCCC[C@@H]1Br	158187648	MPLHZPZFVNRANM-NWDGAFQWSA-N	263.219	4.145	50	20	CIGD	
CC[C@@H](C)CN(C)C(=O)CCCC[C@@H]1CCSS1	171866902	JORBJLBHOPHWRS-CHWSQXEVSA-N	289.510	4.205	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)ccc1F	734981005	LSFSOBXBIOYLBZ-NTEUORMPSA-N	259.324	4.046	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2nccc3ccccc23)sc1C	741467770	QJKUVCNDYAOYRE-ZROIWOOFSA-N	291.379	4.372	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)OCC1CCC1	744198276	LVLOADGLKUZKSK-LBPRGKRZSA-N	274.451	4.044	50	20	CIGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)C1CCCC1	776720192	IVRSTQSASJWMIH-LFYBBSHMSA-N	277.726	4.145	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781555030	BPMTZJDUQDEXIE-VBKFSLOCSA-N	283.371	4.142	50	20	CIGD	
CC(C)C[C@H]1CCCC(=NNC(=O)c2ccccc2)C1	794446103	XHNYABUMJSYJCA-CQSZACIVSA-N	272.392	4.009	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(F)c2)cc1C	809146249	NPXIPOUQUIATDP-NVNXTCNLSA-N	297.304	4.372	50	20	CIGD	
CC[C@H]1CCCN1Cc1ccc(OCCCCl)cc1	811457009	FLQPJAGTALXNMX-HNNXBMFYSA-N	281.827	4.069	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812242779	VBSWRPBDWRQELU-GHXNOFRVSA-N	299.717	4.016	50	20	CIGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1c(C)cccc1C(C)C	812766639	LGMHAVQNFNPNCC-TZMCWYRMSA-N	276.424	4.244	50	20	CIGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)C(C)(C)C	814187317	GMHYNNUVMWXARA-JMRZXEDWSA-N	297.398	4.301	50	20	CIGD	
CC(C)(C)C(=O)CSCCO[Si](C)(C)C(C)(C)C	821084111	LKJFMMUQJXMMPS-UHFFFAOYSA-N	290.545	4.357	50	20	CIGD	
N#C/C(=C\c1csc(C2CC2)n1)c1nc(C2CC2)cs1	843263761	FDJOQCQGNIVDEU-VZUCSPMQSA-N	299.424	4.419	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1339668833	AQHAPSSNPBOPEU-WJDWOHSUSA-N	267.372	4.088	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	125465762	QRIFMGOOEDVTRM-NASPGAHYSA-N	293.313	4.200	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	741469996	OJEWARJTOJACTE-YDRQLGOLSA-N	297.398	4.312	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1nccc2ccccc12	741474417	OSZSFZZRWJMEQK-JMRXEAOASA-N	278.355	4.147	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)nc1)c1ccc2ccccc2n1	748997976	MPPCQURAZTWLGL-ZROIWOOFSA-N	291.741	4.347	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H](C)CCCc2ccccc2)cc1	776222202	IJJABDGVWBNVPF-INIZCTEOSA-N	296.414	4.097	50	20	CIGD	
C=C(CBr)CN[C@H](c1ccccc1)C1CCC1	791476302	VPNQCACFBQWZCZ-OAHLLOKOSA-N	294.236	4.069	50	20	CIGD	
CCCN(N=C[C@@H]1CC[C@H](C)C1)C(=O)OC(C)(C)C	794996675	UMDXAGGWCVVGEW-QWHCGFSZSA-N	268.401	4.056	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2cc(Cl)cnc2o1	834421678	SXIDIHAJYRDRJW-CAXXOGMASA-N	288.734	4.003	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)c1nc(C2CC2)cs1	843266518	WUFGXWUYZISQHA-UKTHLTGXSA-N	283.400	4.296	50	20	CIGD	
CC(C)(C)Cc1nnc([C@@H](Br)C(C)(C)C)o1	1326554116	SHBCBFQJQXYYAB-SECBINFHSA-N	289.217	4.140	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	158636764	HVOLHEAGMRSAER-UXBLZVDNSA-N	299.267	4.367	50	20	CIGD	
Cc1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	181117968	OWXRVOPISYQLTG-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(C)c(C)c2)n1	193862884	VLHVRVZUNVNKHK-AUWJEWJLSA-N	254.358	4.133	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc2ccccc2c1	786676862	DAQQYGZPYNKAGA-SGPNVBEDSA-N	291.350	4.304	50	20	CIGD	
CCCN(N=C1CC[C@H](C)C[C@H]1C)C(=O)OC(C)(C)C	794997293	WUBQFUPUVHUNLO-QWHCGFSZSA-N	282.428	4.446	50	20	CIGD	
CCCN(N=C1CCC12CCCC2)C(=O)OC(C)(C)C	794998980	ZBQDHCDJQVJABC-UHFFFAOYSA-N	280.412	4.344	50	20	CIGD	
CC[C@@H](C)c1nnc(CCCC[C@@H]2CCSS2)o1	1326495686	AIVFWYSRUDQYOV-GHMZBOCLSA-N	286.466	4.450	50	20	CIGD	
CCCCO[C@H](CBr)c1ccccc1F	50479824	VSSCDNVTIPSSHQ-GFCCVEGCSA-N	275.161	4.078	50	20	CIGD	
CCCCCCCOC(=O)/C(C#N)=C\c1ccccc1	111665386	IZNLCTFYJBIZDN-SSZFMOIBSA-N	271.360	4.107	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cc(F)ccc2F)sc1C	125420319	WZAKRUOZNAWWLU-WZUFQYTHSA-N	276.311	4.102	50	20	CIGD	
N#C/C(=C/c1ccsc1)C(=O)c1ccc(Cl)cc1F	179609827	WVQZHWXIHQFHIY-YHYXMXQVSA-N	291.734	4.330	50	20	CIGD	
C=C[C@](C)(CCl)CCCOCc1ccccc1	306285582	CTIZLMAFLSPUCL-HNNXBMFYSA-N	252.785	4.415	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(C)c1	794873554	FTQUIDFHPDKYES-UKTHLTGXSA-N	259.324	4.046	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1	794876350	DSPTZJIBORDSED-FMIVXFBMSA-N	261.752	4.252	50	20	CIGD	
C=CC[C@@H](CC)NC(=O)CCCC[C@H]1CCSS1	799035079	RZOADLQOUYGUJW-OLZOCXBDSA-N	287.494	4.171	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	920067817	DCLXLELLYTVZHB-VZUCSPMQSA-N	288.397	4.004	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	255289077	QRIFMGOOEDVTRM-VSXLWIIGSA-N	293.313	4.200	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)c1cnc2ccccc2n1	588580817	QTYIJFHMYIERSM-WQLSENKSSA-N	277.352	4.064	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccccc1Cl	726119438	YRSDWOSPVJBJRB-LCYFTJDESA-N	261.752	4.252	50	20	CIGD	
CCOC(=O)/C(C#N)=C/c1cccc(-c2ccccc2C)c1	729674786	MFNVGMOZQUPAQA-SFQUDFHCSA-N	291.350	4.132	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)CC(C)(C)C)c1	734980470	JKCIKWGIDVUJJG-MDWZMJQESA-N	259.324	4.046	50	20	CIGD	
CCCC[C@@H](CC)CC(=O)NNc1c(F)cccc1F	735694054	BNYYBVHHWDMOEG-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
O=C(CC1CCCCCC1)NNc1ccccc1Cl	748317592	JDXHBJMEXXZIOW-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CCc1ccc([C@H](C)C(=O)NNc2cc(C)cc(C)c2)cc1	748359855	WSIIMLQKNOLSHO-HNNXBMFYSA-N	296.414	4.113	50	20	CIGD	
CCCN(N=C1CCC[C@H](C)[C@H]1C)C(=O)OC(C)(C)C	794997344	XXXPDXALYCIMOT-QWHCGFSZSA-N	282.428	4.446	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1ccc2ccccc2n1	834911655	FKLWQHMHFPOMEL-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
CC(C)c1ccccc1C=NN(C)C(=O)OC(C)(C)C	848403442	UFTIYEHEBOAPFX-UHFFFAOYSA-N	276.380	4.011	50	20	CIGD	
N#CSCCCCOc1ccc(-c2cccnc2)cc1	904765998	HVHFJDQMEIHSOH-UHFFFAOYSA-N	284.384	4.122	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cscc1Cl	1334243562	PPGHXTOUNFTTGM-WDZFZDKYSA-N	287.771	4.500	50	20	CIGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)c1ccsc1	48639690	AQEIXLKEEPBSEB-POHAHGRESA-N	291.734	4.330	50	20	CIGD	
CC(C)OC1(CBr)CCC(C(C)C)CC1	50479913	DYCJFRJLBRWPMF-UHFFFAOYSA-N	277.246	4.391	50	20	CIGD	
CCCCO[C@@]1(CBr)CCC[C@H](C)C1	50503457	JSRJYSWVGYDNBG-RYUDHWBXSA-N	263.219	4.147	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1	587188768	WHAGRNIZEVGZNW-XNTDXEJSSA-N	273.339	4.244	50	20	CIGD	
CC[C@H](CC(=O)NNc1cc(C)cc(C)c1)c1ccccc1	748362693	RNTNSGARMNVUNQ-MRXNPFEDSA-N	296.414	4.330	50	20	CIGD	
CCCC[C@H](CC)CC(=O)NNc1cccc2cnccc12	748763281	VBDXOAPZDPOMKS-AWEZNQCLSA-N	299.418	4.284	50	20	CIGD	
CC(/C=C(/C#N)C(=O)C(C)(C)C)=C\c1ccccc1	915841319	ARUIJZJPJNGULQ-RJSPBKBSSA-N	253.345	4.155	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)c1	3570411	IDAUSLGPAYCLRA-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2o1	172692432	VGJWPEMKMSOZMG-GVIGZQTCSA-N	267.328	4.345	50	20	CIGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	212022094	GDYKJLAZPAKIFJ-KAMYIIQDSA-N	295.363	4.051	50	20	CIGD	
CC(C)C[C@H](C)O[C@@H]1CCCC[C@H]1Br	251346699	AOBVUFNVRIVAJE-QJPTWQEYSA-N	263.219	4.144	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1ccc(F)cc1	735031412	DSNPXXSPOAIHOR-CYBMUJFWSA-N	280.387	4.265	50	20	CIGD	
CC[C@H](C)[C@H](C)C(=O)NNc1ccc(Cl)cc1Cl	780661138	HEGIXYRZPIZOFO-IUCAKERBSA-N	289.206	4.119	50	20	CIGD	
Cc1cc(C)cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	780805247	VSVSYBRLUOQNTP-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
C=CC[C@H](CC)NC(=O)CCCC[C@@H]1CCSS1	799035080	RZOADLQOUYGUJW-QWHCGFSZSA-N	287.494	4.171	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)CC1CCCC1	812769665	SASRTAUJVMGKEY-UHFFFAOYSA-N	274.408	4.142	50	20	CIGD	
CN(N=Cc1ccc2ccccc2c1)C(=O)OC(C)(C)C	920381015	IWXUOOXFDQXWSD-UHFFFAOYSA-N	284.359	4.041	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1ccccc1Cl	1117702082	LNERVPLDOWYKRJ-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C)c(C)c1	5131226	IIWRLYLGBUPLCD-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
N#CC(C#N)=CN[C@@H](c1ccc(Cl)cc1)c1cccs1	48629430	AMSVSQMCHGKQQK-HNNXBMFYSA-N	299.786	4.012	50	20	CIGD	
C[C@@H](CBr)CN[C@@H]1CCCCC12CCCC2	309591051	UTSPRAWYIRHBCC-QWHCGFSZSA-N	288.273	4.110	50	20	CIGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)[C@@H](C)CC)cc1	726427909	ATDFIGRHFFPILP-QXPQOBGOSA-N	285.387	4.388	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)o1	797399150	OVZMFKNGRFIELY-YRNVUSSQSA-N	272.373	4.406	50	20	CIGD	
CCc1ccc(C(=O)NN=Cc2ccccc2C(C)C)cc1	848402392	DIRDJJXNAQUIQL-UHFFFAOYSA-N	294.398	4.136	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)C)s2)cc1	154306343	FDHSJJMILCJPSY-ZSOIEALJSA-N	296.395	4.365	50	20	CIGD	
CC(C)c1occc1C(=O)NNc1cccc2c1CCCC2	280482111	NTRGOXNENBCTFO-UHFFFAOYSA-N	298.386	4.039	50	20	CIGD	
BrCc1c(-c2ccco2)n[nH]c1C1CCCC1	409442962	DTZQJYGEVKXGJG-UHFFFAOYSA-N	295.180	4.222	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc3ccccc3n2C)c1	734980976	LHWTUQCQGJRJBO-UVTDQMKNSA-N	291.329	4.085	50	20	CIGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)c1ccccc1	753682094	AFWADNMZGJPFQA-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
Cc1cc(C)cc(NC(=O)NNc2cccc(Cl)c2)c1	775373526	JXZJYDBPAHDHBQ-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781553874	YSAAUXXFWDZEQT-GZTJUZNOSA-N	267.372	4.476	50	20	CIGD	
CCC[C@H](CC1CCCC1)C(=O)N(C)CC(Cl)Cl	819843332	KEVANTWJTZNQFH-GFCCVEGCSA-N	294.266	4.245	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1	921266280	XBDDTYZBYLFIRK-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)ccc1C	1116800181	PMEWFUYEFUEKQD-MHWRWJLKSA-N	291.350	4.102	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)OC1CCCCC1	14178923	MRGFRZQJKDABRD-CSKARUKUSA-N	295.791	4.184	50	20	CIGD	
N#C/C(=C\c1ccco1)C(=O)c1cc(Cl)cc(Cl)c1	255765553	BSWIWSROTHSGCO-UXBLZVDNSA-N	292.121	4.376	50	20	CIGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cccc(Cl)c1	727254802	ZEWRZEBNVYSJQM-LBPRGKRZSA-N	292.810	4.416	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(C)c2C)c1	731156822	NEPRLSPJNZIXPH-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1ccc(F)cc1	733950287	OIKOPACXYKZCCC-AWEZNQCLSA-N	292.398	4.265	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	741471303	YTPBGVJMUFZHLQ-DWKHYPNZSA-N	285.387	4.386	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)C(=O)C1CCCCC1	767714447	POPMKPQCPRWGLJ-UVTDQMKNSA-N	273.763	4.396	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	771838406	PHOKYTVIVKLPAH-VKRGWIQLSA-N	299.267	4.367	50	20	CIGD	
CC1(C(=O)NNc2ccccc2Cl)CCCCCC1	781348265	FOPPGFGARLRWLS-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CC(C)Cc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1	806557222	OWUVVJWDQMQVEQ-YVLHZVERSA-N	279.339	4.268	50	20	CIGD	
N#C/C(=C/c1ccsc1)C(=O)c1c[nH]c2cc(F)ccc12	44027038	ITSIZEXVWAROJX-WZUFQYTHSA-N	296.326	4.158	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)c1cnc2ccccc2n1	195340518	XXJCAQRJWAASIN-BJMVGYQFSA-N	297.770	4.409	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C#N)cc2)n1	255659302	JDKIUVYSFUSZHA-VGOFMYFVSA-N	279.368	4.202	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1nccc2ccccc12	741474423	OSZSFZZRWJMEQK-WZMONFQBSA-N	278.355	4.147	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2cccc(F)c2)c1	772173539	ZZQLTVFNARMSMG-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(C(=O)/C=C/c2cccc(CCl)c2)o1	799891100	KVYTVVGNYHSTDT-VOTSOKGWSA-N	260.720	4.223	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(CCl)c1	799894155	ZCKGKXKWMRKUKT-DHDCSXOGSA-N	275.779	4.338	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C=C1CCCC1	812766240	CGZUEEOEAAMURC-UHFFFAOYSA-N	272.392	4.062	50	20	CIGD	
CN(Cc1cc2ccccc2[nH]1)/C(=C/C#N)c1ccccc1	1253399140	SLLUHGQXZYYCBP-YBFXNURJSA-N	287.366	4.164	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc(C)c2C)n1	171728137	HVENBUVKGRXMTM-VGOFMYFVSA-N	254.358	4.133	50	20	CIGD	
CC(C)(C)c1ccc(/C=C/C(=O)NNc2ccccc2)cc1	219079198	BFRVMEKFQBYIBO-SDNWHVSQSA-N	294.398	4.141	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	726430346	YCTWRXRRMLHPJZ-WDGDVPDHSA-N	293.366	4.371	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(F)c(F)c2)c1C	727654782	KTMURIMJFYJZTB-RIYZIHGNSA-N	297.304	4.372	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2nccc3ccccc23)n1	740872975	YPWZJJARPQHCOJ-MDWZMJQESA-N	277.352	4.064	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	741465961	ZYOAAXKZAYVHEC-CYBMUJFWSA-N	280.371	4.136	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C)c(F)c1	741469959	NPGBDERQBDKION-ACLQVGRQSA-N	259.324	4.046	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCCC2)c(C)n1C1CC1	767714580	RJPHOBNPQBFRGR-BOPFTXTBSA-N	296.414	4.496	50	20	CIGD	
C=C(CBr)CN[C@@H](c1ccccc1C)C(C)C	791489963	KCNZHGUCPQKLII-OAHLLOKOSA-N	296.252	4.233	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2F)cc1C	809146668	RTXBAJBMZZQEAK-OVCLIPMQSA-N	297.304	4.372	50	20	CIGD	
CCCc1occc1C(=O)NNc1ccc(C(C)C)cc1	837058535	NTFCCGOTKISCGF-UHFFFAOYSA-N	286.375	4.112	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccccc1Cl	1248407582	YHUCBSYUHWNDFJ-UVTDQMKNSA-N	281.742	4.438	50	20	CIGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1c(F)cccc1F	1319369960	FCNKFAUOZHDHER-NSHDSACASA-N	296.361	4.014	50	20	CIGD	
CCN(C(=O)CCCC[C@@H]1CCSS1)C1CCC1	737868053	REKWCKXLQCGTEB-CYBMUJFWSA-N	287.494	4.102	50	20	CIGD	
CC/C(=C/C(=O)NNc1ccccc1F)c1ccc(C)cc1	748049358	UBPDZOODRGVFJF-OWBHPGMISA-N	298.361	4.071	50	20	CIGD	
CC(C)C(=NNC(=O)c1ccc(Cl)cc1Cl)C1CC1	750934228	BLXLEFQFLNOPCE-UHFFFAOYSA-N	299.201	4.145	50	20	CIGD	
CCC1(C(=O)NNc2cc(Cl)ccc2Cl)CCC1	752811418	UWONGRUZXXUIPL-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1sccc1Cl	780004145	GIMOJFJFMVVSKS-TWGQIWQCSA-N	267.781	4.314	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C)c(C)c1	794954731	SHFDETZHVSRJHK-XNTDXEJSSA-N	255.361	4.216	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)c1cccc(C2CCC2)c1	798991909	IJNPGBJXBRLAKH-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1C	915843990	CMISKTJFZDXWPI-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1ccsc1	172817548	PTYYKYVMXXQCPR-SXGWCWSVSA-N	279.364	4.027	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(OC(F)F)c1	255356817	KEEXWUFPMZPSID-JYRVWZFOSA-N	293.313	4.200	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1csc(Br)c1	263714480	WYZSHMODSJEKBH-JVVDXDAESA-N	298.205	4.033	50	20	CIGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1F	747763875	IAPFKSJPRUPBAN-LLVKDONJSA-N	296.773	4.021	50	20	CIGD	
CC[C@H]1CCC[C@@H](C=NN(C)C(=O)OC(C)(C)C)C1	783831033	GXAQYOXZISYWKW-QWHCGFSZSA-N	268.401	4.056	50	20	CIGD	
N#Cc1ccc(/C=C\c2ccc(OCCCCl)cc2)nc1	811688773	SQDSZTZAQAFOTQ-KXFIGUGUSA-N	298.773	4.131	50	20	CIGD	
CC(C)CO[C@@]1(CBr)CCC[C@@H](C)C1	50503533	LFZYHZFOCMQEFJ-NEPJUHHUSA-N	263.219	4.003	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2occc2C)c1C	742350377	ZCYQVQGOSSDMPS-XNTDXEJSSA-N	296.370	4.206	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1ccccc1F	746523718	WTMUTOMSCHZXRZ-XFXZXTDPSA-N	291.281	4.362	50	20	CIGD	
Cn1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	763278454	ZNTBHSSRXKRBMJ-OQLLNIDSSA-N	291.379	4.213	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCCC2)C(=O)c1ccsc1	792870694	ANZVZNUPHOICCS-YVLHZVERSA-N	293.391	4.417	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccsc1	812952521	YWCPKCKSVJAWRM-UHFFFAOYSA-N	289.404	4.329	50	20	CIGD	
CCc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)cc1	916329820	YOAOQCFXUDOTCP-DOTOQJQBSA-N	298.430	4.325	50	20	CIGD	
CC(C)O[C@H](CBr)c1cccc(Cl)c1	50479931	PPBZFTYKGLNHJJ-LLVKDONJSA-N	277.589	4.201	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2sccc2C)s1	255110993	PZEVIKFVVIMXCZ-XFFZJAGNSA-N	273.382	4.216	50	20	CIGD	
CCCC[C@H]1CCCC1=NNC(=O)c1c[nH]c2ccccc12	727250374	MRBHFGNWMFSSLF-ZDUSSCGKSA-N	297.402	4.244	50	20	CIGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccccc1	731922526	HIDCMNDTRWWQIM-UHFFFAOYSA-N	272.392	4.153	50	20	CIGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1ccsc1	740764642	AYJORCXYKLXKOL-NTEUORMPSA-N	290.347	4.086	50	20	CIGD	
C=CCCC(CC)=NNC(=O)c1cc2ccccc2cc1O	750915769	ATLFRADOLZFCQB-UHFFFAOYSA-N	296.370	4.007	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1F	780005129	SSDQKQPOMXBGFU-MDWZMJQESA-N	289.350	4.137	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(C)cc1	799375625	LJRRCZBPWMFWDL-UHFFFAOYSA-N	283.375	4.014	50	20	CIGD	
N#Cc1ccc(C(=O)/C=C/c2cccc(CCl)c2)cc1F	799893218	WGHWMUWEBRFOPR-QPJJXVBHSA-N	299.732	4.332	50	20	CIGD	
CCc1nocc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	834441135	AJBWFHDDJWIVNY-POHAHGRESA-N	287.388	4.055	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)C[C@@H](C)O3)sc1C	899361032	RUIVIJIZZYYBKL-IIBSKXHVSA-N	296.395	4.148	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	917546584	BKRZUQGJVPXFKP-CYBMUJFWSA-N	280.371	4.136	50	20	CIGD	
CC[C@H]1CCCCC1=NNC(=O)c1ccc(Cl)cc1F	779775080	VAKJYRIZRCTSCU-JTQLQIEISA-N	296.773	4.165	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(Cl)c1F	159878614	ZDSDGVIZNQGODY-YRNVUSSQSA-N	289.693	4.170	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)o1	176919456	APKKKAOIPUWTPH-IZZDOVSWSA-N	258.346	4.232	50	20	CIGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccsc1	213968723	YIFDISDDOXGNIR-JYRVWZFOSA-N	292.363	4.328	50	20	CIGD	
CC(C)c1ccc([C@H](C)N2CC=C(C#N)CC2)cc1	273014600	BIAPDCGJAUHBBQ-AWEZNQCLSA-N	254.377	4.027	50	20	CIGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc(F)cc2)[C@H]1c1ccccc1	750801379	ZRAHFUOBRBLWEU-ZHVJGSDXSA-N	292.357	4.383	50	20	CIGD	
C[C@@H](CC(=O)NNc1ccc2ccccc2n1)CC(C)(C)C	777467138	WGSZKQGNWCMURS-ZDUSSCGKSA-N	299.418	4.140	50	20	CIGD	
N#C/C(=C\c1ccc(F)nc1)c1nc2cc(F)ccc2s1	777468138	VQQRGQJFHOUOCB-BJMVGYQFSA-N	299.305	4.034	50	20	CIGD	
C/C(C=C(C#N)C#N)=C/c1ccccc1C(F)(F)F	799889921	VIBNIHZUHRLIDQ-YFHOEESVSA-N	262.234	4.082	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843263319	BRBDFHPRNRSASG-ZSOIEALJSA-N	266.369	4.393	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)c1nc2ccccc2[nH]1	195221607	NFHIFEFIADZBDT-VQHVLOKHSA-N	285.759	4.342	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(Cl)c1F	255715022	CJUALBJBMUOACL-XFFZJAGNSA-N	265.715	4.001	50	20	CIGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1cccc2ccccc12	766020140	KPEVZCRPMXWOEA-ZDUSSCGKSA-N	294.398	4.382	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCC2)cc2cccnc12	783713403	PWSFULJJZJDYJJ-BOPFTXTBSA-N	290.366	4.210	50	20	CIGD	
Cc1csc(/C(C#N)=C/C=C\c2ccc(F)cc2F)n1	797406628	VUMGORCSKHTBJA-UMCGIRHUSA-N	288.322	4.350	50	20	CIGD	
Cc1ccc(NNC(=O)c2cc3cc(C)ccc3s2)cc1	810044310	SHZYJFGYANTSSV-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)C(C)(C)F	834448072	VBLRDWVOHMOAAB-DHZHZOJOSA-N	279.742	4.127	50	20	CIGD	
CC(C)c1ccccc1/C=C(\C#N)C(=O)C(C)(C)F	846757823	JEXAGMPGRRKICE-UKTHLTGXSA-N	259.324	4.034	50	20	CIGD	
CC1(C)C[C@@]1(C)NC(=O)CCCC[C@H]1CCSS1	856135000	QSQWIJBGECLMAX-SMDDNHRTSA-N	287.494	4.005	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@H]2CCC[C@H]1C2	890321897	KUZHYRCFUUQNHK-IHRRRGAJSA-N	299.505	4.102	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)(F)F)[nH]1)C(=O)C1CCCCC1	905072989	GVKWBTRARBZJGA-FLIBITNWSA-N	296.292	4.090	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1	69008240	PQJPANVSUWMQFM-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
Fc1ccc([C@H]2CCC[C@H](Br)C2)cc1F	70794767	KXMLSCBTTOPGBG-WPRPVWTQSA-N	275.136	4.386	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	169970219	JFHHLOMYSRJTNC-ZROIWOOFSA-N	284.384	4.305	50	20	CIGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)c1ccccn1	178350591	MUUOFSZPFUDIPK-LDADJPATSA-N	283.334	4.208	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1cccc(F)c1	772179479	QEFMFMQBRONOSS-WMZJFQQLSA-N	291.734	4.330	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)[C@@H]1C	781126363	FPYRBRDCVAOIIR-NXEZZACHSA-N	296.773	4.021	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	794872880	AGAQTKSOCFUXPN-XEGJVCIASA-N	271.360	4.315	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(C#N)s2)s1	797397654	AHAFCLPGBYAFMM-UXBLZVDNSA-N	299.424	4.438	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811628500	ZABQGDLXPXWIRH-WTKPLQERSA-N	287.306	4.289	50	20	CIGD	
COc1cc(C)ccc1/C=C(/C#N)c1nc(C)c(C)s1	834424955	FAQDWGINPPPAJK-ZSOIEALJSA-N	284.384	4.141	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc(CC(C)C)cc2)c1	916549007	NSKXKQOHDCVIAI-UHFFFAOYSA-N	296.414	4.259	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1C	44013476	PICBHOUYJWQXJG-GDNBJRDFSA-N	273.339	4.244	50	20	CIGD	
CCCCO[C@H](CBr)c1ccccc1C	50479820	FDVPFABCHYGLQU-CYBMUJFWSA-N	271.198	4.248	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C)s2)cc1	184841029	UZFMTYNRMZAASO-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cc(F)c(F)cc2F)sc1C	767730190	XJAOFFCAQHTLOL-KMKOMSMNSA-N	294.301	4.241	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	810243091	DHTZYKODYBXNLK-RAXLEYEMSA-N	297.354	4.337	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1cc2ccccc2s1	123486133	UAIBPVCSHJSECQ-XYOKQWHBSA-N	255.342	4.033	50	20	CIGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C(C)C)cc2)c1	150862622	SLXOOYKBOYEHIT-UHFFFAOYSA-N	286.350	4.014	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc3c2OC(C)(C)C3)n1	153683232	FOAWWIDKLOBKIN-AUWJEWJLSA-N	296.395	4.229	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1	191361937	WNGCEAXFFOWNEX-XNTDXEJSSA-N	271.323	4.002	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)c2cnc3ccccc3n2)c1	588580698	OREIWEBUNMEPTD-YBEGLDIGSA-N	285.350	4.311	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(C)c(C)c2)n1	588616511	VLHVRVZUNVNKHK-VGOFMYFVSA-N	254.358	4.133	50	20	CIGD	
CC(=NNC(=O)CCCc1ccccc1)C1CCCCC1	727689662	YNRBXSMTMYLRFW-UHFFFAOYSA-N	286.419	4.082	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1	741470017	OTXFFXWNYYSBKM-LFTLCWSBSA-N	261.752	4.252	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	747691031	TVJBGNWYRDENHE-SFQUDFHCSA-N	290.366	4.271	50	20	CIGD	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccncn3)o2)cc1	758917733	ZNSZKZNAZDTZIY-GDNBJRDFSA-N	287.322	4.109	50	20	CIGD	
Cc1oc2ccc(NC(=O)NNc3ccccc3)cc2c1C	775877745	TVNLAAYUGFZQSI-UHFFFAOYSA-N	295.342	4.198	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)CCCC2CC2)cc1	812546348	WMZCLGFCUJLESE-UHFFFAOYSA-N	274.408	4.008	50	20	CIGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)c1nc(C2CC2)cs1	843264487	IYNUCIWLKKZVDP-MLPAPPSSSA-N	298.415	4.171	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccsc2)cc1C	915989999	UFABQUAEECMOJC-LZYBPNLTSA-N	281.380	4.463	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	1318018427	ATMRFHCDMOYNOA-JYRVWZFOSA-N	297.741	4.144	50	20	CIGD	
Clc1ccc(CO[C@@H]2CCC[C@H]2Br)cc1	83473541	BENXHLFINDCVOO-VXGBXAGGSA-N	289.600	4.173	50	20	CIGD	
BrCc1coc2cc(Br)ccc12	116448062	XGTHBNLZPMGDKJ-UHFFFAOYSA-N	289.954	4.090	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1C	741474895	UBHJIHJBQHFVIS-LUHPIMIVSA-N	259.324	4.046	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	753716222	CFRUNWKXIGQINS-CEXMDJMXSA-N	279.742	4.391	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	843266535	XBXSKRUWZJDSIX-POHAHGRESA-N	288.397	4.155	50	20	CIGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)[C@H]1c1ccccc1	1347936732	BDWWWLHLWWZBHL-TWRYWWQQSA-N	291.822	4.004	50	20	CIGD	
C[C@H](O[C@@H]1CCC[C@H]1Br)c1ccccc1	251569891	UMAIDGMSJGCXIV-CYZMBNFOSA-N	269.182	4.080	50	20	CIGD	
CC(/C=C(/C#N)C(=O)c1ccsc1)=C\c1ccccc1	750914152	SSICFYWHKYANJH-AJVLGPTGSA-N	279.364	4.484	50	20	CIGD	
CCCCCC(=O)NNc1c(Cl)cc(F)cc1Cl	767405377	PZDFQTGSAVGPGS-UHFFFAOYSA-N	293.169	4.156	50	20	CIGD	
CCOc1c(Cl)cccc1/C=C(\C#N)c1ccccn1	779220886	KIUSIQRCUWWOOK-JLHYYAGUSA-N	284.746	4.198	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1	809146622	QWTPALKBDOLMIM-GZTJUZNOSA-N	291.350	4.102	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cn(C)c2ccccc12	915955616	HUHGSEQNHUBSAM-CYBMUJFWSA-N	299.418	4.110	50	20	CIGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)C1CCCCC1	128903071	XYTQOISBUOULDF-SDQBBNPISA-N	293.288	4.160	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1sccc1C	131109815	JXAMXMHPCQKCQX-JYRVWZFOSA-N	285.343	4.294	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)cc(F)c2)s1	158855710	LAMXCHTZNZCMRP-NYYWCZLTSA-N	289.306	4.125	50	20	CIGD	
BrC[C@H]1CCCC[C@H]1c1ccccc1	164834509	GSZULYWYBJLBOP-OLZOCXBDSA-N	253.183	4.355	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C)c(C)c2)c1	206964742	CYXYLPFAZCEQHZ-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1	588580641	MHHMNQUDSZQIPW-WJDWOHSUSA-N	285.350	4.256	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	737443317	HQBJAXPTLSMYOV-MHWRWJLKSA-N	297.398	4.312	50	20	CIGD	
CC1(CC(=O)NNc2cccc(Cl)c2)CCCCC1	753420397	GSPZHLILNXUWJK-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2C)cc1C	809147042	XHGQWXBWFXYWMO-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)N(C)CC(Cl)Cl	816628312	QDLQGNDRIGWGGM-NSHDSACASA-N	282.255	4.245	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1ccc(Cl)cc1OC	818274207	SBYVYHKBUJRKPL-UHFFFAOYSA-N	296.798	4.035	50	20	CIGD	
CC[C@@H](NC(=O)CCCC[C@H]1CCSS1)C1CC1	855860628	XMOXIIJAIUFEHS-QWHCGFSZSA-N	287.494	4.005	50	20	CIGD	
CC[C@@H](C)[C@@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	912596243	FEWDWOAGEBFZFO-CRAIPNDOSA-N	296.414	4.268	50	20	CIGD	
Cc1cccc(NC(=O)C2CCC(Cl)CC2)c1C	1346060648	OQZKIOKSZINIPW-UHFFFAOYSA-N	265.784	4.040	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cnc(C3CCC3)s2)n1	155190828	HANCOPGGQBMWGZ-VZUCSPMQSA-N	287.413	4.240	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCCCC1	247758497	FXGFRZOHYYCSRX-CYBMUJFWSA-N	287.494	4.149	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735669405	LUEVOXDPZSIHIM-KAMYIIQDSA-N	290.370	4.147	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)cccc2F)cc1C	809146263	NZDMVWKTVBNUEM-NTEUORMPSA-N	297.304	4.372	50	20	CIGD	
C/C(=C\C(=O)NNc1ccc(C)c(Cl)c1)C(C)(C)C	1340446292	PGVBVRITSNOZSO-DHZHZOJOSA-N	280.799	4.084	50	20	CIGD	
CC(C)c1ncsc1NC(=O)C1CCC(Cl)CC1	1521653495	ZTASBTLWXFQNTA-UHFFFAOYSA-N	286.828	4.003	50	20	CIGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)C1CCC1	129560328	FXFIIXGJYUFHDS-YPMHNXCESA-N	287.494	4.005	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2C)s1	170933580	CQFFISPZLPQEAI-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1F	171764711	UWBFUNUDVSDHSI-RIYZIHGNSA-N	282.274	4.107	50	20	CIGD	
C[C@H](CBr)CN[C@H]1CCCCC12CCCC2	309591050	UTSPRAWYIRHBCC-OLZOCXBDSA-N	288.273	4.110	50	20	CIGD	
FC(F)(F)C[C@H](CBr)Cc1cccs1	409428071	YSNMEMQJVMLOJE-SSDOTTSWSA-N	287.144	4.254	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1	741474777	RLACQCWMGOOKPP-GJSJWPQCSA-N	261.752	4.252	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C(C)(C)C(C)C	812767627	MWXISFPRNCKCIS-UHFFFAOYSA-N	276.424	4.244	50	20	CIGD	
Cc1oc(C)c(C(=O)NNc2ccc(C(C)C)cc2)c1C	837057278	CJFJYTQBAJQKCW-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
Cc1csc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)c1	863156170	OPOVLWIJGMWDOG-OLZOCXBDSA-N	290.432	4.133	50	20	CIGD	
Cc1nc2c(n1CCO[Si](C)(C)C(C)(C)C)CCCC2	1350444267	WFAOQRDBOXWCKE-UHFFFAOYSA-N	294.515	4.092	50	20	CIGD	
Cc1cccc(NNC(=O)c2cccc(Cl)c2Cl)c1	72514512	IESYWNBDQPUGHT-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	255169770	CFYJKEURLAXPFN-IZZDOVSWSA-N	289.693	4.170	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1cccc(F)c1	588597235	DSTABFLYICQULC-NTUHNPAUSA-N	285.705	4.269	50	20	CIGD	
CC[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	727734250	LMYCKTDEDUHOSA-STQMWFEESA-N	287.494	4.102	50	20	CIGD	
CC/C(=C/C(=O)NNc1ccc(F)cc1)c1ccc(C)cc1	741664533	GIBWWQQQAFIFQI-OWBHPGMISA-N	298.361	4.071	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC)cc1Cl	794875738	YNCIXYLJFOJEJN-XYOKQWHBSA-N	291.778	4.261	50	20	CIGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1ccccc1	916248930	SILQNWZZSMEYRT-HNNXBMFYSA-N	272.392	4.175	50	20	CIGD	
C[C@H]1CCCCC1=NNC(=O)c1ccc2ccccc2c1	917547087	KXRAXEKQJRXVDO-ZDUSSCGKSA-N	280.371	4.136	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccccc2F)c1	921266053	VHTMOBMFJHNHRG-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1	6339270	PQJPANVSUWMQFM-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccsc1	44027895	JBSKCYAFJPADBZ-WUXMJOGZSA-N	273.744	4.191	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cccc2ncccc12	730146453	WTSUMYDOPPNPIG-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	732716792	ZRSJFXXISVSXTI-SFQUDFHCSA-N	296.414	4.002	50	20	CIGD	
CC[C@H](C)c1ccc(C(=O)NNc2cccc(F)c2)cc1	748089899	ZUWHQDJDCYUMOV-LBPRGKRZSA-N	286.350	4.096	50	20	CIGD	
CCC(=NNC(=O)c1cccc(Cl)c1)C1CCCCC1	750921044	FOYNQZCWJHLPCO-UHFFFAOYSA-N	292.810	4.416	50	20	CIGD	
CCCC1(C(=O)NNc2cc(Cl)ccc2Cl)CC1	761574168	YWDTZNMJOOQLQY-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
O=C1/C(=C\c2cccc(CCl)c2)Cc2c(F)cccc21	799892444	ICVBHZRNZJEJJL-JYRVWZFOSA-N	286.733	4.387	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)cc(F)c2)cc1C	809146481	PODZWTJPDUQBLX-GIDUJCDVSA-N	297.304	4.372	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1cccc(Cl)c1	818229713	YNKTXBCWACBLHY-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccccc1C	1320692429	UWLZJMIXUMXFSL-DHDCSXOGSA-N	279.314	4.232	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(C(C)(C)C)cc2)c1	72514441	RKKJDYKZZATUDC-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)cc(F)c2)cc1	154288444	MKBICHAYEVXRHD-MKMNVTDBSA-N	283.277	4.063	50	20	CIGD	
Cc1oc(C(C)C)cc1C(=O)NNc1cccc(Cl)c1	285539838	RSJBEKMAUZUHAA-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
Fc1c(C(F)(F)F)ccc(Br)c1CCl	307255238	ZFIQEQSEQZDCPL-UHFFFAOYSA-N	291.469	4.346	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)N(C)C1CCCCC1	755593975	QWZMPXXFTOZFEX-VBKFSLOCSA-N	296.414	4.002	50	20	CIGD	
N#C/C=C/COc1cc(C(F)(F)F)cc(C(F)(F)F)c1	763298438	CFHWTMXIMOUSRH-OWOJBTEDSA-N	295.182	4.183	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	767728359	GANBYKQDHLQJNU-CEXMDJMXSA-N	279.742	4.391	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)ccc1C	777872219	ONCDISIHCXFDFP-ZSOIEALJSA-N	259.324	4.046	50	20	CIGD	
CCCCCC(=O)NNc1ccc(C(C)(C)C)cc1	780805927	JVVVGUHXRLOUEO-UHFFFAOYSA-N	262.397	4.008	50	20	CIGD	
N#C/C(=C/c1cscc1C(F)(F)F)c1ccccn1	811627612	VSZUINDZNWDOPG-UITAMQMPSA-N	280.274	4.226	50	20	CIGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1ccccc1	917530728	YCLDGXCSHZKGOD-UHFFFAOYSA-N	294.398	4.061	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	130091570	SHKKGNHKUZTRGS-WUFUFFIZSA-N	281.277	4.016	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)C)cc(C)c1OC(F)F	193344231	NYHVJFQTXAIKSD-QPEQYQDCSA-N	293.313	4.037	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC(F)F	255395524	GCTCVUCEIKKPSO-YHYXMXQVSA-N	299.704	4.073	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2cccc(F)c2F)sc1C	741473089	FOSJZBHZPPOZBG-IZZDOVSWSA-N	276.311	4.102	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761383573	CEINKZBZXIMTMV-XVNBXDOJSA-N	274.172	4.187	50	20	CIGD	
Cc1ccc(F)c(CN(C)/C(=C/C#N)c2ccccc2)c1	769909202	OKCWJMCVRIKCTF-VCHYOVAHSA-N	280.346	4.131	50	20	CIGD	
CC[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1	785360338	AHRZWRIDFXEUKM-VJSYINPZSA-N	291.350	4.288	50	20	CIGD	
CCCN(N=C(C)CC1CCC1)C(=O)OC(C)(C)C	794996823	LWRNQPIANKLDAR-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2)cc1C	809147283	ZXVVLTQUAWJCGZ-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
Cc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	178884288	KJFZIYQGXLLFKV-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CC(C)c1[nH]ccc1C(=O)NNc1ccc(C(C)(C)C)cc1	285822750	NTFAZGKCDOULDU-UHFFFAOYSA-N	299.418	4.193	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1cccc(F)c1	588597259	FYLKHGSYOSYFDT-AUWJEWJLSA-N	283.277	4.063	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	741465962	ZYOAAXKZAYVHEC-ZDUSSCGKSA-N	280.371	4.136	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc(F)c(F)c2)sc1C	741474103	NUQBCWHFBPEUJF-VZUCSPMQSA-N	276.311	4.102	50	20	CIGD	
CCC(=CC(=O)NNc1ccc(Cl)cc1Cl)CC	748008034	APVCRNXGFRTAFY-UHFFFAOYSA-N	287.190	4.183	50	20	CIGD	
Cc1cccc(CN(C)/C(=C\C#N)c2ccc(F)cc2)c1	750791982	QTOXMGXOGBRXRU-ZDLGFXPLSA-N	280.346	4.131	50	20	CIGD	
CCc1ccc(CCC=NN(C)C(=O)OC(C)(C)C)cc1	758114149	WXMUITFKWLVFMS-UHFFFAOYSA-N	290.407	4.034	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)C(C)(C)CC)c1C	794873032	AXWWVUOIPTVNEL-XNTDXEJSSA-N	272.392	4.037	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1occc1C(C)C	803360262	GFQDAOYFBQIJEJ-UHFFFAOYSA-N	286.375	4.031	50	20	CIGD	
Cc1ccccc1C(=O)NNc1c(C)cccc1C(C)C	812765406	HLGMEHOITIVVCF-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
FCCNCc1cccc(S(F)(F)(F)(F)F)c1	894223281	SRRWWMARBVXQDN-UHFFFAOYSA-N	279.249	4.403	50	20	CIGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)CCl)C(C)C)cc1	1116437653	LVQWHIVZRKEQQW-LRDDRELGSA-N	281.827	4.252	50	20	CIGD	
CC(C)(C)C(=O)NN=CC1CCC(c2ccccc2)CC1	1322588170	MMDJCMKPNGWWNR-UHFFFAOYSA-N	286.419	4.109	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/C=C/c2ccccc2)c1	7211282	VPORQXPPHHRISM-WHORLJIGSA-N	289.334	4.041	50	20	CIGD	
CC[C@H](Cl)c1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1	122086174	IKKXKPBHCDVLTA-AWEZNQCLSA-N	298.773	4.280	50	20	CIGD	
CCCN(C(=O)CCCC[C@@H]1CCSS1)C1CC1	171557747	JFGBPPFHYMTLLQ-CYBMUJFWSA-N	287.494	4.102	50	20	CIGD	
O=C(CC1CCCCCC1)NNc1ccc(Cl)cc1	749274506	SGHCOFQXBZUHCR-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)C(=O)c1ccccc1	758017039	JOMBBQVVKBLNJH-GVEAZFNLSA-N	295.288	4.311	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C)c2C)cc1	764884617	GDUYFNKEACCTQZ-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)cc1	764917472	VAZWSMBDPFKRBJ-GFJWLWTISA-N	291.325	4.480	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)c(Cl)c1	781555364	HRNHAUHCDUGCRX-MDWZMJQESA-N	289.762	4.015	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)C1CCCC1	782196668	HBRDVZMWHGNGAI-GHXNOFRVSA-N	277.726	4.145	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(Cl)cc1F	782196809	LXKMABWVTZUMHA-WDZFZDKYSA-N	279.742	4.391	50	20	CIGD	
Cc1ccccc1C(=O)NN=C[C@@H](c1ccccc1)C(C)C	794478727	RVKLCDGCPBYJHR-GOSISDBHSA-N	294.398	4.150	50	20	CIGD	
CC/C(C)=C(\C)C(=O)NNc1c(C)cccc1C(C)C	794927602	FWTZKIUTYDRACB-WYMLVPIESA-N	274.408	4.308	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(O)cc2)s1	797399808	WJUWFRBMOHYJMA-WQLSENKSSA-N	284.384	4.210	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)ccc2F)cc1C	809160085	FRFGZAJJCSJWEJ-NVNXTCNLSA-N	297.304	4.372	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CC12CCCC2	812767586	LEOHYIFOCJUIFJ-HNNXBMFYSA-N	286.419	4.142	50	20	CIGD	
C=C(CBr)CN[C@@H](C)c1cccc(C2CC2)c1	830200451	JMWYIPBJTCXHRD-LBPRGKRZSA-N	294.236	4.166	50	20	CIGD	
CN(C)c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	33780315	NSUMDQGUSUBPMM-ZROIWOOFSA-N	295.411	4.151	50	20	CIGD	
C[C@H](O[C@H]1CCC[C@@H]1Br)c1ccccc1	50502824	UMAIDGMSJGCXIV-DRZSPHRISA-N	269.182	4.080	50	20	CIGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)C(C)C	128082164	LJCXWQSIFJGKLG-XFXZXTDPSA-N	267.328	4.127	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	726428011	CSKHCOUSXCTFDT-BKLZJWBFSA-N	281.277	4.228	50	20	CIGD	
CCC(=NNC(=O)c1c(Cl)cccc1Cl)C(C)C	727781291	JAVBVPFWLDHQDV-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
C[C@@H](CBr)CNC(C)(C)CCc1ccccc1	770648122	ASMRYUDJGCODAB-ZDUSSCGKSA-N	298.268	4.018	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772807552	SBSMCTCMROMHAB-WMZJFQQLSA-N	299.267	4.367	50	20	CIGD	
Fc1ccccc1NCc1ccc(OCCCCl)cc1	811470443	ZMAVKNVXFXOZSO-UHFFFAOYSA-N	293.769	4.446	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccnc(Cl)c1Cl	834429975	BPYPFPKEWIJXEL-MDXIRLPMSA-N	297.185	4.301	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)cc(C)c1O	843265676	OMHAADHJBVLDHI-VGOFMYFVSA-N	296.395	4.407	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)C1CCCCC1	128815982	LAFZWVIEMTUEHA-JYRVWZFOSA-N	275.298	4.021	50	20	CIGD	
CC(C)[C@@H](CCl)CCCOCc1ccccc1	306163492	YACAITSOWYLMBH-OAHLLOKOSA-N	254.801	4.494	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	729149184	GMUJEHPUIWIFGS-DHDCSXOGSA-N	297.398	4.312	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1Cl	741469770	MTJJBWRHMFPJBA-ZWSXMNCCSA-N	291.778	4.261	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1	772176670	OOPBJMJLNQVACV-UUASQNMZSA-N	297.304	4.372	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(F)cccc1Cl	794877724	LRBGDQMLOWJXRX-NTMALXAHSA-N	279.742	4.391	50	20	CIGD	
CCCN(N=C/C=C/c1ccccc1)C(=O)OC(C)(C)C	794997808	GAHPUXLQSLVIPC-OAPNILDGSA-N	288.391	4.333	50	20	CIGD	
O=C1/C(=C/c2cccc(CCl)c2)Cc2cc(F)ccc21	799891773	CIGBYGXOJQFZAO-VGOFMYFVSA-N	286.733	4.387	50	20	CIGD	
C[C@H](NCCO[Si](C)(C)C(C)(C)C)c1ccsc1	808757030	CDXKYJZHXAXPNK-LBPRGKRZSA-N	285.529	4.421	50	20	CIGD	
C/C(=C/C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccco1	831900238	RLVVSKIWWKJCOE-SEYXRHQNSA-N	298.386	4.124	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2cc(Cl)cnc2o1	834421683	SXIDIHAJYRDRJW-VKRGWIQLSA-N	288.734	4.003	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(N3CCCC3)cc2)n1	1317890624	AAIVWKSMZSLSNJ-GDNBJRDFSA-N	295.411	4.116	50	20	CIGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1ccccc1	14150697	CXHOMCSSNPYAJF-NTEUORMPSA-N	297.741	4.138	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)s1	731155163	BBBFJFWFTHNSBF-FMIVXFBMSA-N	284.340	4.283	50	20	CIGD	
C=CCC[C@H](NC[C@H](C)CBr)c1ccccc1	770666309	LDRPBGFIHNHYCY-HIFRSBDPSA-N	296.252	4.315	50	20	CIGD	
Cc1ccccc1[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1	785378535	PMXYIPDVNPPLND-YHZJOHHESA-N	291.350	4.206	50	20	CIGD	
C=C(CBr)CN1C[C@H](C)C[C@@H]1c1ccccc1	796620547	QAJRBJCMWNOWHT-IUODEOHRSA-N	294.236	4.021	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1ccc(F)cc1	1252173064	QDJJPWPPGWQVRA-GZTJUZNOSA-N	291.325	4.104	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)C(=O)C1CCCCC1	128806294	OHACEUVFRZQAGV-LCYFTJDESA-N	259.374	4.113	50	20	CIGD	
Cn1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1	160182534	VTKRZJJLADZGBF-WJDWOHSUSA-N	292.382	4.112	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1[C@H]2CCC[C@H]1CC2	364141147	APMTZVLIARGCBY-IHRRRGAJSA-N	299.505	4.244	50	20	CIGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1ccc(C#N)cc1	747050900	KTRCCDCUPGMFJN-OAHLLOKOSA-N	297.402	4.046	50	20	CIGD	
Cc1ccc(NNC(=O)[C@H](CC(C)C)c2ccccc2)cc1	749200992	UFKGRVYUXWFOGB-GOSISDBHSA-N	296.414	4.268	50	20	CIGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccccc1	763260175	ARLJTYDWZRQPOJ-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cscc1Br	794689959	FIQWPVBWKUPRKS-ZKUGPGMGSA-N	298.205	4.033	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)cc1	1337988295	OMCIUIJRIBZSQJ-UNOMPAQXSA-N	287.362	4.274	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(F)c2F)c1C	730729371	HVVRAWDHHMNUGI-ZROIWOOFSA-N	297.304	4.372	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2sccc2C)cc1C	809147296	ZYWGPWKVXZCNFX-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)C(C)(C)F	834447721	PXZCXFQRGWMLJU-KAMYIIQDSA-N	289.350	4.090	50	20	CIGD	
O=C(NN=C1CCCC12CCCCC2)c1ccccc1F	834918586	YPDBOAFLZHGBJQ-UHFFFAOYSA-N	288.366	4.046	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1ccc(Cl)cc1OC	732924024	OUWHJDWHCMZUCP-UHFFFAOYSA-N	296.798	4.035	50	20	CIGD	
CCC(=CC(=O)NNc1ccc(C(C)(C)C)cc1)CC	780805793	BALNWCROPDDJFN-UHFFFAOYSA-N	274.408	4.174	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)CC2=CCCCC2)cc1	780806020	QFGPIXINQLETPE-UHFFFAOYSA-N	286.419	4.318	50	20	CIGD	
CC1(C(=O)NNc2ccc3ccccc3n2)CCCCCC1	781355831	GAMAPDPPPRXAOX-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794866462	OXOAMRPSCCMLAE-XYOKQWHBSA-N	263.287	4.146	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1Cc2cccc(Cl)c2C1	805804648	COOIWUJIDFAGCL-MFOYZWKCSA-N	280.758	4.220	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2cccc(C(C)C)n2)cc1	837054944	ZMJCWKOJCFCMDJ-UHFFFAOYSA-N	297.402	4.085	50	20	CIGD	
CCc1ccc(C(=O)NN=C/C(C)=C\c2ccccc2)cc1	916329364	GCYMSYJTLZDKOP-PHQNPPNDSA-N	292.382	4.068	50	20	CIGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)CCl)C(C)C)cc1	1116437655	LVQWHIVZRKEQQW-WBMJQRKESA-N	281.827	4.252	50	20	CIGD	
Cc1ncccc1NC(=O)CCCC[C@H]1CCSS1	73356967	LCUGLNBKRKWHMZ-LBPRGKRZSA-N	296.461	4.043	50	20	CIGD	
FC(F)(F)C[C@H](CBr)C1CCCC1	396877757	AITVYDCIQVSYGP-MRVPVSSYSA-N	259.109	4.140	50	20	CIGD	
CC(=NNC(=O)CC(C)(C)C)c1oc2ccccc2c1C	728431315	QNMXLQWZGHMTHI-UHFFFAOYSA-N	286.375	4.018	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccc(F)cc1	730589717	OXBBHRDMKAEJMX-LCYFTJDESA-N	285.705	4.269	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	741473329	GVYLGBPGONAYIQ-VPMLRQHESA-N	279.742	4.391	50	20	CIGD	
CCc1ccc(C(=O)/C=C\c2cccc(CCl)c2)o1	799893397	XVXRDCGDSSWQEC-VURMDHGXSA-N	274.747	4.477	50	20	CIGD	
N#Cc1ccc(/C=C/c2ccc(OCCCCl)cc2)nc1	811688775	SQDSZTZAQAFOTQ-QHHAFSJGSA-N	298.773	4.131	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccnc2Cl)c1	171541045	YQINWGKVUOKYKU-OQLLNIDSSA-N	296.757	4.142	50	20	CIGD	
Cc1cccc(NNC(=O)c2cc3cc(C)c(C)cc3o2)c1	175226737	DHHOSWCZTHBIGK-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
COC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1C	196473368	STDLLKIYSCNAKL-UHFFFAOYSA-N	280.440	4.166	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C)c(F)c1	741469961	NPGBDERQBDKION-UGMNDJHYSA-N	259.324	4.046	50	20	CIGD	
CCCCCCC(C)=NNC(=O)CCc1ccccc1	749745618	SNVMHHIXRVCKBX-UHFFFAOYSA-N	274.408	4.082	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)o1	760212264	WDJXPGKGZUMAFT-FMIVXFBMSA-N	277.327	4.091	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	812246061	CCDPBUSESBTWAO-JYRVWZFOSA-N	288.272	4.473	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)c(C)c1	899360386	LVCVIBGJGLYXIJ-RIYZIHGNSA-N	284.384	4.141	50	20	CIGD	
CC(C)(C)C1CCC(=NNC(=O)c2ccccc2F)CC1	5383607	WUMYJASIXMHUDD-UHFFFAOYSA-N	290.382	4.148	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	6410487	JTTJQSDKHJRAET-SFQUDFHCSA-N	290.366	4.103	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc(C)c(C)s1	125410850	DHHQWVDTLAYBET-QPEQYQDCSA-N	272.348	4.272	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2sccc2C)cc1	588467658	NCYJSPOAMMVJET-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
CC1(C)CCCC1=NNC(=O)c1ccc2ccccc2c1	749857065	AEEPAZKCOSWSKF-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
CON(C)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792861655	GTTZGPRXGKCNKJ-UHFFFAOYSA-N	295.499	4.202	50	20	CIGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)c1ccoc1	798230362	QCBMLGOCQGBPII-WUXMJOGZSA-N	291.228	4.088	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)c(OC)c1	863185443	ZZRKXIJEYGPPIH-MDWZMJQESA-N	291.778	4.261	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccsc2)c1C	7210205	JLXUAYYBVSUVSL-OQLLNIDSSA-N	298.411	4.366	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	7211082	NWQFRROFHLEVFR-LFIBNONCSA-N	261.324	4.093	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cccnc2)cc1	32791156	UXYOACBQMOCROQ-LFIBNONCSA-N	290.366	4.169	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C)s2)c1	48833118	JVEKYAGFEKOURK-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
CCCCCCCCCC(=O)NNc1ncccc1Cl	734246542	DEMHIDUMCREHSD-UHFFFAOYSA-N	297.830	4.319	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)OCCC1CC1	744284603	JKKCMAPUTPEHSQ-LBPRGKRZSA-N	274.451	4.044	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(Cl)cc2Cl)cc1	120455476	XGTHYKGPVYGQKE-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
C[C@H](O[C@H]1CCCCC[C@@H]1Br)C(F)(F)F	203530244	BJQAJAFVAZOZBX-CIUDSAMLSA-N	289.135	4.050	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)cc1C	726119492	ZPEMFZCBKWFOPS-ZROIWOOFSA-N	259.324	4.046	50	20	CIGD	
CCC(C)(C)CC(=O)NNc1ccc(Cl)cc1Cl	748018039	FMHNZIYAVDBMPJ-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
C=C(CBr)CN1CCC[C@H]1c1ccccc1C	791448752	NGWYIJBXDZNMCO-HNNXBMFYSA-N	294.236	4.083	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1	1319998369	PDBIFQWDXZMWTG-ANSBUGDOSA-N	291.325	4.480	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1c(F)cccc1Cl	17475532	YPLYGBOWKVFDAP-JXMROGBWSA-N	289.693	4.170	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)s1	122152767	SEFJGTNGXIXCRQ-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
BrC[C@@H]1CCCC[C@@H]1c1ccccc1	164834841	GSZULYWYBJLBOP-QWHCGFSZSA-N	253.183	4.355	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccccc2F)c1C	727654409	DUZLZLIPPVRLBX-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1nccc2ccccc12	740765312	WEAVAWGWHBIMCD-RVDMUPIBSA-N	278.355	4.147	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1	741470015	OTXFFXWNYYSBKM-JYVXZMADSA-N	261.752	4.252	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cccc2cccnc12	747355855	FKAFVVITRQQTAI-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(C(F)F)cc1	749276021	BBJGIWFNDIBXSX-UHFFFAOYSA-N	296.704	4.035	50	20	CIGD	
O=C(CC1CCCCCC1)NNc1cccc(Cl)c1	749888775	UQFWOQUBWLHZPC-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2occc2C(C)C)c(C)c1	786425799	AJCNOKSSXANEIW-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
CC(C)c1ccccc1/C=C(/C#N)C(=O)C(C)(C)F	846757822	JEXAGMPGRRKICE-LCYFTJDESA-N	259.324	4.034	50	20	CIGD	
CC(C)c1ccc(NNC(=O)CC2(C#N)CCCCC2)cc1	854882103	AAJMKKHTOZNAIK-UHFFFAOYSA-N	299.418	4.117	50	20	CIGD	
C(CC[C@@H]1CCSS1)Cc1nnc(C2CCC2)o1	1255189065	PWPIADCPYBUDQV-LLVKDONJSA-N	284.450	4.204	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1ccccc1	33304503	WEDNUCYPZKBHEL-WTQOSJCMSA-N	259.308	4.033	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1F	67428012	BLFSHMURNDBBPU-QPEQYQDCSA-N	285.343	4.294	50	20	CIGD	
Cc1cccc(NNC(=O)c2coc3cc(C)c(C)cc23)c1	184462066	JARLIYSKEWNHHT-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(SC)cc1	255732365	DYVRNMNJGBTEMI-HLVNSREUSA-N	273.401	4.321	50	20	CIGD	
COC(=O)N(C)N=C1CCC[C@@H](c2ccc(Cl)cc2)C1	496274764	MDPQODCHFMUDPQ-GFCCVEGCSA-N	294.782	4.052	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	588541689	QLKGOBNENWMSSM-WDZFZDKYSA-N	289.693	4.170	50	20	CIGD	
CCc1cccc2c(/C=C(\C#N)C(=O)[C@@H](C)CC)c[nH]c12	726429301	HWGQCBTUTLJILW-IGVUGNCQSA-N	280.371	4.252	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)CCC(C)(C)C)c1	755561992	BXIMFBDAEXJALL-CQSZACIVSA-N	276.424	4.209	50	20	CIGD	
CC1(C(=O)NNc2c(Cl)cccc2Cl)CCCC1	763623521	GBJYUFFBBNFNPM-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
Cc1cc(C)cc(NC(=O)NNc2cc(C)ccc2C)c1	775373124	GGCKGYGJUMBMDU-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)C1CCCCC1	777870592	FQALVKIADYSTGP-DHDCSXOGSA-N	271.335	4.191	50	20	CIGD	
CCCCCCCC[C@H](C)CC(=O)N1CC=C(C#N)CC1	780685553	PUQKZYTTWGHDKZ-INIZCTEOSA-N	290.451	4.445	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1ccccc1	810193288	FYQYVSQYLBQOJB-RVDMUPIBSA-N	273.291	4.223	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	812246062	CCDPBUSESBTWAO-MDWZMJQESA-N	288.272	4.473	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)OC1CCCCC1	834750184	AGXMXURYEOLDMQ-KAMYIIQDSA-N	295.338	4.216	50	20	CIGD	
O=C(CCl)Nc1ccccc1Oc1ccc(Cl)cc1	1116434346	RFZAPIXXDRCIRH-UHFFFAOYSA-N	296.153	4.310	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1318851492	SEWGUEWCNWMZRB-GPLLRDDGSA-N	267.372	4.088	50	20	CIGD	
O=C(Cl)c1cc(Cl)cc(SCC(F)F)c1	1898227441	OLKRVGITDWXDRQ-UHFFFAOYSA-N	271.115	4.076	50	20	CIGD	
O=C(CCl)N(Cc1ccccc1)c1ccc(Cl)cc1	32157428	RVWSXCONPAHIGG-UHFFFAOYSA-N	294.181	4.112	50	20	CIGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNc1ccccc1	734543703	UJGSWRYOOBUSAY-QGZVFWFLSA-N	288.435	4.372	50	20	CIGD	
O=C(NNc1c(Cl)cccc1Cl)C1=CCCCCC1	775875623	SBMJWCLDOMVJSD-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1ccsc1	790101194	WMEDITLJXIVEAY-YHYXMXQVSA-N	279.773	4.253	50	20	CIGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2c[nH]c3ccccc23)C1	794459428	IVBKEKSUPVPUJZ-CYBMUJFWSA-N	297.402	4.100	50	20	CIGD	
CCCN(N=C1CCC[C@@H](C)C1)C(=O)OC(C)(C)C	794997731	DDRJHUCDJNQSDP-GFCCVEGCSA-N	268.401	4.200	50	20	CIGD	
Cc1ccc(NNC(=O)c2occc2C(C)C)c(Cl)c1	836935185	OSZQOGPNQKYLHP-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	195171890	GKGDRIWEPTWYRY-NTEUORMPSA-N	282.274	4.107	50	20	CIGD	
CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])c(F)c1	219810481	XOOSZNMCPXBIJG-UHFFFAOYSA-N	271.364	4.118	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	726118069	IKCCLHCKWFXERU-GHRIWEEISA-N	298.430	4.445	50	20	CIGD	
CC(C)(C)C[C@@H](NC=C(C#N)C#N)c1ccc(Cl)cc1	741645833	DBXSOTBSXUYJIM-OAHLLOKOSA-N	287.794	4.338	50	20	CIGD	
CC(C)(NC(=O)CCCC[C@@H]1CCSS1)C1CC1	741712330	MGXQCGRVHBBHKT-GFCCVEGCSA-N	287.494	4.005	50	20	CIGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cc2ccccc2o1	749832684	WITAMACBHNKGLF-GFCCVEGCSA-N	298.386	4.365	50	20	CIGD	
Cc1ccc([C@H]2CCCN2C[C@H](C)CBr)cc1	770645767	STSAZXJJDJPUDP-UKRRQHHQSA-N	296.252	4.163	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)c1ccccc1	782198127	VUWWMTXCHGSGHC-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
C=C(CBr)CN[C@H](c1ccccc1C)C(C)C	791489962	KCNZHGUCPQKLII-HNNXBMFYSA-N	296.252	4.233	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc3c(c2)CCCC3)n1	792870243	PGPQLCVEWVYRKP-SXGWCWSVSA-N	280.396	4.395	50	20	CIGD	
Cc1cccc(NCc2ccc(OCCCCl)cc2)n1	811476071	XTHJAAHJOWCGIR-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCC(F)(F)F)C1	852524987	RBFTWXRJCHNGRC-LLVKDONJSA-N	297.437	4.035	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	105570898	YMMATYRZAODIKD-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	255354740	IAZJJKXUUQQTBL-WQLSENKSSA-N	292.363	4.328	50	20	CIGD	
CCCCCCCCCC(=O)NNc1ccc(Cl)nc1	743817705	BAKIHZNBVRYLQG-UHFFFAOYSA-N	297.830	4.319	50	20	CIGD	
O=C(CCc1ccccc1)NN=C1CC[C@@H]2CCCC[C@H]2C1	749745531	QOWVGSJITFHGQT-IRXDYDNUSA-N	298.430	4.082	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C\c1cc2ccccc2s1	758419337	VMNMIFWUSJZGRK-KAMYIIQDSA-N	298.411	4.115	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)ccc1C#N	766289376	HIKMFLFWUCSPIG-CXUHLZMHSA-N	298.349	4.116	50	20	CIGD	
CCC(C)(CC)C(=O)NNc1cc(Cl)cc(Cl)c1	791730156	SNHUNYPFEVXCJN-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1ccccn1	794866373	OBZXCVKWWWVWDC-UKTHLTGXSA-N	256.255	4.083	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccnn2C(C)C)n1	794875868	XCRHVKKZBQRDOF-KPKJPENVSA-N	286.404	4.108	50	20	CIGD	
CC1(C(=O)NNc2cccc(Cl)c2Cl)CCCC1	838343548	VORFRAVTOGNBPW-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CCCCCCCC(=O)NNc1cccc(Cl)c1	888432496	AEDYCJUKKAKJHI-UHFFFAOYSA-N	268.788	4.144	50	20	CIGD	
O=C(NNc1ccccc1Cl)Nc1ccc(Cl)cc1	16500309	YNPCOFIUGQIZMV-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
CCCCOC(=O)CCCC[C@H]1CCSS1	149872796	IPLSMGCUZAWCHN-NSHDSACASA-N	262.440	4.044	50	20	CIGD	
Cc1ccc(NNC(=O)C2(CC(C)C)CCCC2)cc1	749194387	SXSNPZKKPZVODV-UHFFFAOYSA-N	274.408	4.045	50	20	CIGD	
CCCCC/C(C=NN(C)C(=O)OC)=C\c1ccccc1	794955715	AINMIIYIBMWKJD-POJAUEIXSA-N	288.391	4.334	50	20	CIGD	
C[C@H](CBr)CN1C[C@H](C)C[C@H]1c1ccccc1	796618586	INFZZTUWXRQUQO-NFAWXSAZSA-N	296.252	4.101	50	20	CIGD	
CC/C=C(\C)C(=O)NN(Cc1ccccc1)c1ccccc1	918541246	QMHNKGNQILNMCL-MHWRWJLKSA-N	294.398	4.081	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccccc2)cc1	8321442	TXUDFBGNGIOGPA-QGOAFFKASA-N	275.351	4.429	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2ccsc2)ccc1[N+](=O)[O-]	180570201	NRVAWMHVXNMCDN-QPEQYQDCSA-N	270.313	4.029	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(F)ccc2F)c1C	727655511	VQYHDLBKMKZAMS-RIYZIHGNSA-N	297.304	4.372	50	20	CIGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)c1ccco1	732577591	MYQAPGSAJJBSBA-XFFZJAGNSA-N	291.228	4.088	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc2cnccc2c1	794875296	UPCWPMPKFFDNNY-MHWRWJLKSA-N	278.355	4.147	50	20	CIGD	
O=C(NNc1ccccc1F)c1ccc(C2=CCCC2)cc1	810680645	WTZNNJQJYOSPLW-UHFFFAOYSA-N	296.345	4.150	50	20	CIGD	
Cc1occc1/C=C(\C#N)c1nc(C(C)C)cs1	840736482	XQKRCFAXWSSDOB-WUXMJOGZSA-N	258.346	4.232	50	20	CIGD	
Cc1ccccc1[C@@H](CBr)OC1CCCC1	50480415	ZFQARLKDSHSAAC-CQSZACIVSA-N	283.209	4.390	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccs2)n1	83015447	LXFMWTHBDWASTB-POHAHGRESA-N	260.387	4.392	50	20	CIGD	
C=C(CBr)CN[C@H](c1ccccc1)C(C)(C)C	791474301	YRXZTORVYSMNMU-CQSZACIVSA-N	296.252	4.315	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccnc(Cl)c1Cl	834429974	BPYPFPKEWIJXEL-FKVCUQLRSA-N	297.185	4.301	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	54572436	BXWQZNAUZWDNHQ-SFQUDFHCSA-N	290.366	4.356	50	20	CIGD	
CCC1(CNC(=O)CCCC[C@@H]2CCSS2)CC1	178198937	GOLFHQSBDBQUIE-GFCCVEGCSA-N	287.494	4.007	50	20	CIGD	
Cc1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	181130473	FTUQDDVSMWCQDM-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccccc1C	727254561	WZOVUFMJNMPISF-CQSZACIVSA-N	272.392	4.071	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1[N+](=O)[O-]	741473115	GCBYRURJARSTJN-AWNIVKPZSA-N	299.355	4.041	50	20	CIGD	
C/C(=C/C(=O)NNc1c(C)cc(C)cc1C)C(C)(C)C	762818029	KPGQUFNGCBYJLI-UVTDQMKNSA-N	274.408	4.047	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)s1	772179992	UAPMTIHJPSNAMI-FMIVXFBMSA-N	285.343	4.239	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)C1CCCC1	790100131	MVDVVCWSCOEAPJ-XFFZJAGNSA-N	265.765	4.068	50	20	CIGD	
N#C/C(=C/c1ccsc1)C(=O)c1cccc(Cl)c1	810217055	VNPMNFJOISVEPS-SDQBBNPISA-N	273.744	4.191	50	20	CIGD	
C=CCC(C)(C)C(=O)NNc1ccc(C(C)(C)C)cc1	816018996	WLGTXROYOBLQJA-UHFFFAOYSA-N	274.408	4.030	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cnn(C3CCC3)c2)n1	899344009	IYSQLNFRHKZMQR-AWNIVKPZSA-N	298.415	4.252	50	20	CIGD	
CCC(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	917030152	VMMOEZAUNHOHBL-UHFFFAOYSA-N	290.363	4.070	50	20	CIGD	
CC(C)CCCOC1(CBr)CCCC1	50481458	SEWFIANZHKPONK-UHFFFAOYSA-N	263.219	4.147	50	20	CIGD	
CC[C@@H](C)OC(=O)CCCC[C@@H]1CCSS1	729078094	JBIXZISHHUDXBV-GHMZBOCLSA-N	262.440	4.042	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)O[C@@H]1C=CCCC1	733412276	QCQRKOBJAOGKEN-CHWSQXEVSA-N	286.462	4.352	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c(C)c1	772176773	QJJBLMFMUPOKSV-GIDUJCDVSA-N	297.304	4.372	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(C)cc(C)c2)c1	921260823	DTVUCHZZZABGJT-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1	726118643	PLOGAYHUMIOFRY-LFIBNONCSA-N	285.387	4.386	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)c1ccc2ccccc2n1	756256051	AQLWZFCHQPEWAG-MHWRWJLKSA-N	299.308	4.310	50	20	CIGD	
CCCCCC(C)=NNC(=O)C12CC3CC(CC(C3)C1)C2	818226811	YKQZOTAGPISNEG-UHFFFAOYSA-N	290.451	4.275	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	172692644	QKQUIFULJFTAQA-ZWSXMNCCSA-N	293.313	4.200	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(Cl)c(F)c2)n1	221648385	NZBYQNWYZHULKX-ONNFQVAWSA-N	278.739	4.308	50	20	CIGD	
CCCC(=NNC(=O)c1cccc(C#N)c1)C1CCCCC1	728781568	XNHNBWXCEIVLIQ-UHFFFAOYSA-N	297.402	4.024	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc(C)c2C)c1	731156823	NEPRLSPJNZIXPH-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1cccc2ncccc12	749165471	YVVVQUNCLOFVTF-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
C/C=C(/C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	751189680	VPIFOMZLFQXDTO-UTCJRWHESA-N	293.581	4.056	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)C1CCCC1	780003887	ACFKBJKQHKSOLD-BJMVGYQFSA-N	265.765	4.068	50	20	CIGD	
FC(F)Oc1ccc2ccccc2c1CBr	35630966	AWTWFMKYASXJSU-UHFFFAOYSA-N	287.103	4.336	50	20	CIGD	
C=CCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	726495916	WRTYMWRJOOFUCQ-UHFFFAOYSA-N	293.581	4.056	50	20	CIGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)c1ccccn1	753682121	CIFOODUWWUYUJT-YRNVUSSQSA-N	275.138	4.453	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCCC2)cnc1Cl	767712068	BMABIDJTWDCWJP-RIYZIHGNSA-N	288.778	4.100	50	20	CIGD	
N#C/C(=C/c1ccccc1)C(=O)c1ccc(OC(F)F)cc1	776259355	IGFGLXHWEQZHTN-UVTDQMKNSA-N	299.276	4.078	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccc(F)cc1	785365699	WAQWXQGGMBCCMT-KWWJGWKXSA-N	295.313	4.037	50	20	CIGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)c1ccccn1	814188331	ZGHLFWKHXQJZAJ-YGPCBGHTSA-N	290.366	4.238	50	20	CIGD	
COc1cc(C)ccc1/C=C(/C#N)c1nc(C2CC2)cs1	843266340	UTDLAYOLZKTLJV-ZSOIEALJSA-N	296.395	4.402	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccccc1C	1320692430	UWLZJMIXUMXFSL-OQLLNIDSSA-N	279.314	4.232	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccnc(Cl)c1Cl	296100540	ZYFOZYHRCVPGPI-JXMROGBWSA-N	297.185	4.301	50	20	CIGD	
Cc1ncccc1/C=C(\C#N)c1ccc2ccccc2n1	728787409	LSNSOIRVKDSTOJ-LFIBNONCSA-N	271.323	4.002	50	20	CIGD	
CCCCCC[C@@H](C)C(=O)NNc1cccc2cnccc12	748758848	IHYCIQNRTRPDQY-CQSZACIVSA-N	299.418	4.284	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)s1	763114578	PWMNPTMCAQLSAZ-FLIBITNWSA-N	295.367	4.006	50	20	CIGD	
Cc1ccc(C)c(NC(=O)NNc2ccccc2Cl)c1	769920195	MYZPDMBUFMIICF-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H](C)CCCc2ccccc2)c1	776222035	CVQGBEYVJXFPFV-INIZCTEOSA-N	296.414	4.097	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1C	44013474	PICBHOUYJWQXJG-XNTDXEJSSA-N	273.339	4.244	50	20	CIGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc(Cl)c(F)c1	746700381	SBAMOIYLZCKUFZ-JTQLQIEISA-N	298.789	4.139	50	20	CIGD	
CCC(=NNC(=O)c1ccc(Cl)cc1)C1CCCCC1	750912245	MRUIVTJELKKVFK-UHFFFAOYSA-N	292.810	4.416	50	20	CIGD	
CCCn1c(SC/C=C\C#N)nc2cc(Cl)ccc21	763299510	WDYXYBUOBAWJOF-ARJAWSKDSA-N	291.807	4.272	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cc(F)cc(Cl)c2)n1	776720330	MBILZCCKFLEAET-WTDSWWLTSA-N	278.739	4.308	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C=C(C2CC2)C2CC2)cc1	780805409	WUOAGYNBRKYNPY-UHFFFAOYSA-N	298.430	4.174	50	20	CIGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1	798230331	PLFFNGKNRLOJIY-WJDWOHSUSA-N	295.338	4.248	50	20	CIGD	
CCCCCC(C)=NNC(=O)CSc1ccc(C)cc1	818252470	JGQZPSCEZDOFBL-UHFFFAOYSA-N	292.448	4.160	50	20	CIGD	
Cc1cc(C(F)(F)F)ccc1/C=C(\C#N)C(=O)C(C)C	840735094	OYLIGRSOMAUZNC-KPKJPENVSA-N	281.277	4.146	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1F	729149248	HFVYQKXJYXJHEU-GXDHUFHOSA-N	291.329	4.085	50	20	CIGD	
CC(C)(C)CCC(=O)NNc1ccc(Cl)cc1Cl	748018675	HNAFXZVJLBXCCA-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
CCc1ccccc1NC(=O)NNc1ccccc1Cl	769933407	ZNAWTRKRGIDVFQ-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
CCCCC1CCC(C(=O)NNc2ccccc2C)CC1	865493756	QCSSWQBFJCMKHM-UHFFFAOYSA-N	288.435	4.435	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccnc2ccccc12	905075207	SXRNCNBXWSSUQW-WDGDVPDHSA-N	278.355	4.147	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc3ccccc3n2C)c1	921259327	NYFYTZVWICBZAD-WJDWOHSUSA-N	287.366	4.254	50	20	CIGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	23739557	GZNUWNHNCSHWJE-LDADJPATSA-N	291.350	4.212	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	77563863	UTGFRAUMGYCHBV-POHAHGRESA-N	288.397	4.004	50	20	CIGD	
CC(C)COc1ccc(/C=C(\C#N)c2ccccn2)cc1	171752735	YMDRMBCKDLSPJL-LFIBNONCSA-N	278.355	4.181	50	20	CIGD	
CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181775980	UEEDQUFYYWNJHM-UHFFFAOYSA-N	276.230	4.095	50	20	CIGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(OCC)cc1	817911979	XSBAEJZKPBIGBE-CQSZACIVSA-N	292.423	4.135	50	20	CIGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cccc(Cl)c1	1322861867	ZITHVUJUOSBGQW-GFCCVEGCSA-N	294.826	4.390	50	20	CIGD	
CCCO[C@@H](CBr)c1ccccc1Cl	50479748	PLMIRWZJMDWSCM-NSHDSACASA-N	277.589	4.203	50	20	CIGD	
CC(C)C[C@@H](CCl)CCOCc1ccccc1	306763842	JGYUJYFRXBFZQT-HNNXBMFYSA-N	254.801	4.494	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	741471270	YPAPMYGDXJJVBD-WIZMWCRPSA-N	298.430	4.445	50	20	CIGD	
CCS[C@H]1CCCCN(/C(=C/C#N)c2ccccc2)C1	750609832	PVHOQYYUNHUCDQ-KTZOAPACSA-N	286.444	4.159	50	20	CIGD	
CC(CC1CCC1)=NNC(=O)c1cccc2ccccc12	758379626	YCQOWHXEQFKVGN-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)c2ccccc2c1	834421644	STWPCSIOCMHRNJ-BVTUPMQUSA-N	293.366	4.371	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccccc1	118771003	CHEFTFDLTFFGKL-AWEZNQCLSA-N	295.473	4.017	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1ccco1	212646042	ZPGAZBWKADMHPZ-YFHOEESVSA-N	292.121	4.376	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)C1CCCC1	761385415	MJOSOJCWZKMHDV-YFHOEESVSA-N	299.317	4.433	50	20	CIGD	
N#C/C(=C\c1cccnc1)C(=O)c1cc2ccccc2s1	788328742	QCWHQFITWSGKAB-RIYZIHGNSA-N	290.347	4.086	50	20	CIGD	
O=C1/C(=C/c2cccc(CCl)c2)Cc2ccccc21	799888499	FLGMOPBGGQPKKH-OQLLNIDSSA-N	268.743	4.248	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1	806398312	DWNHQPUERNVVAX-HYVNUMGLSA-N	286.419	4.045	50	20	CIGD	
ClCCCOc1ccc(CN2CCCC3(CC3)C2)cc1	811490360	PHZXENFDVHYDCT-UHFFFAOYSA-N	293.838	4.070	50	20	CIGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)C(C)(C)C	6823142	AGEUXJXVEPIBFV-SDNWHVSQSA-N	293.366	4.371	50	20	CIGD	
CCCCC(CC)=NNC(=O)C12CC3CC(CC(C3)C1)C2	732924248	VEYHWTSWSGZHPI-UHFFFAOYSA-N	290.451	4.275	50	20	CIGD	
CC1(C(=O)NNc2ccc(Cl)cc2Cl)CCCC1	748011846	DZYUHRCMTKWRBQ-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C23CCC(CC2)C3)cc1	752771455	JUVRYDOLQXTGEX-UHFFFAOYSA-N	286.419	4.008	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2cnccc2c1	782343536	WSCXVAMCEYGTFY-VGSSETLESA-N	278.355	4.147	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812245270	PMYRCJXGEFWZCZ-IJYCUAFPSA-N	291.310	4.000	50	20	CIGD	
Cc1cc(F)c(/C=C(/C#N)C(=O)C(C)(C)F)c(Cl)c1	840719665	KJMXJSOOFOQBLW-TWGQIWQCSA-N	283.705	4.012	50	20	CIGD	
C/C(=C\C(=O)NNc1c(C)cccc1C(C)C)c1ccco1	854580318	XDCGSEWTCAHQEQ-SDNWHVSQSA-N	298.386	4.258	50	20	CIGD	
CC(=NNC(=O)c1cccc(Cl)c1)C1CCCCC1	916278551	SZVDNOKPWAAXKR-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)Nc1ccccc1	16411168	FCSBRXFMHUSMJN-QGOAFFKASA-N	298.345	4.385	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1	171093640	IPNUESRDJIVDPP-WQLSENKSSA-N	297.276	4.107	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(F)c1	302691095	RWTSUBZTHMRJBA-CYBMUJFWSA-N	299.436	4.478	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1ccc(CC)cc1	748243638	CILNNEPXKYZWJK-CYBMUJFWSA-N	274.408	4.181	50	20	CIGD	
CCC1(C(=O)NNc2cccc(Cl)c2)CCCCC1	763882306	IOKQMKHSRBREMJ-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
BrCCCCc1nc2ccccc2s1	86826478	WWDFXBFGVAJNFA-UHFFFAOYSA-N	270.195	4.014	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	726427998	CIPJZHHKDHTVPU-YDRQLGOLSA-N	255.361	4.332	50	20	CIGD	
CCS[C@@H]1CCCCN(/C(=C/C#N)c2ccccc2)C1	750609833	PVHOQYYUNHUCDQ-PCJMVEANSA-N	286.444	4.159	50	20	CIGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)[C@@H]1c1ccccc1	750801377	ZRAHFUOBRBLWEU-WPIHAHMVSA-N	292.357	4.383	50	20	CIGD	
Cn1c(/C(C#N)=C\c2cscc2Cl)nc2ccccc21	771842493	TUBMIYFEXQTIMM-POHAHGRESA-N	299.786	4.352	50	20	CIGD	
CC(C)(C)OC(=O)NN=C1CC(c2ccc(Cl)cc2)C1	783783450	JNICGOWFZOCPAD-UHFFFAOYSA-N	294.782	4.098	50	20	CIGD	
CCCC(CCC)=NNC(=O)c1ccc(Cl)cc1OC	794779196	GXZDFXXDTGVVFJ-UHFFFAOYSA-N	296.798	4.035	50	20	CIGD	
CC[C@@H](C)CC=NNC(=O)c1c(Cl)cccc1Cl	834953967	PSIVVGRRHPUEPK-SECBINFHSA-N	287.190	4.145	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(C)c1C	1116015017	DMQZTMUHOCTVDB-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	5128486	USQOJNXUQNYDPH-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
O=C(CC1=CCCCC1)NNc1ccccc1C(F)(F)F	730159339	GPBFLIPOEGMGCQ-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2nccc3ccccc23)n1	740872974	YPWZJJARPQHCOJ-JYRVWZFOSA-N	277.352	4.064	50	20	CIGD	
C[C@@H]1CC(=NNC(=O)c2cccc3ccccc23)C[C@H](C)C1	747764064	LOXFYRGLVUNKEI-OKILXGFUSA-N	294.398	4.382	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H]1c1cccs1	750600530	ZOMBOJUFZMSCMK-KMPOOHAWSA-N	280.396	4.450	50	20	CIGD	
CCCCC[C@H](CC)C(=O)NNc1ccc(C)cc1	776222196	IGYWOEWQFYIAIJ-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1cn(C)c2ccccc12	814776724	AXJDWBRZYUXTMV-UHFFFAOYSA-N	297.402	4.030	50	20	CIGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccoc1C(C)C	928336932	FBFVLMMHUHKSBW-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
C=CCC[C@H](NC(=O)NNc1ccccc1)c1ccccc1	130920345	NZSMZCQEXSQUOQ-KRWDZBQOSA-N	295.386	4.020	50	20	CIGD	
BrCC1(COCc2ccccc2)C[C@H]2C[C@@H]2C1	230090855	JGLCFZQEWGOHAA-ZIAGYGMSSA-N	295.220	4.014	50	20	CIGD	
CCCOc1cccc(/C=C(/C#N)C(=O)[C@H](C)CCC)c1	741469398	LABCWZOSAHXYSN-VQCBNXJZSA-N	285.387	4.388	50	20	CIGD	
CC(C)c1ccccc1-n1ccnc1SC/C=C\C#N	763297484	FYCJTWUGADNGLF-WAYWQWQTSA-N	283.400	4.168	50	20	CIGD	
CC(C)=CCCNC(=O)CCCC[C@@H]1CCSS1	791004619	VFPAIJSQTYIWSU-CYBMUJFWSA-N	287.494	4.173	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2coc(-c3ccccc3)n2)n1	797405469	XDLUSPAGDMLMGY-QPEQYQDCSA-N	293.351	4.171	50	20	CIGD	
Cc1cncc(NCc2ccc(OCCCCl)cc2)c1	811484700	HJEXVNFJDALJAJ-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
CCCO[C@H](CBr)c1ccccc1Cl	50479751	PLMIRWZJMDWSCM-LLVKDONJSA-N	277.589	4.203	50	20	CIGD	
Cc1cccc(NNC(=O)c2occc2-c2ccccc2)c1	70705821	PTGVVMRRKZNBQI-UHFFFAOYSA-N	292.338	4.012	50	20	CIGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)C1CCCCC1	128879712	JIFZSOIFMDDMPZ-SDQBBNPISA-N	293.288	4.160	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)c2cnc3ccccc3n2)c1	191359502	YYUVVGGNNRGDIU-MHWRWJLKSA-N	285.350	4.311	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1ccc(F)cc1F	740924898	DSGKRZPLSRGHSG-LBPRGKRZSA-N	298.377	4.405	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@@H]1c1cccc(F)c1	750800681	GXYJNUUBDQRLON-JIARHERNSA-N	278.330	4.137	50	20	CIGD	
CCC/C(C)=C\C(=O)NNc1cc(Cl)ccc1Cl	762818509	LYYQNGOOGKDKDD-CLFYSBASSA-N	287.190	4.183	50	20	CIGD	
CCC(=CC(=O)NNc1c(Cl)cccc1Cl)CC	763611314	YNSSNAWFTKARRN-UHFFFAOYSA-N	287.190	4.183	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1	772176139	LWPINNZVESMOCN-VIZOYTHASA-N	297.304	4.317	50	20	CIGD	
CCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)C(C)C	916323370	CSIYJELKTFMTSS-UHFFFAOYSA-N	274.408	4.136	50	20	CIGD	
O=C(NN=C1CCCCCC1)c1cccc2ccccc12	5704995	KNPWTKOCKUOCKC-UHFFFAOYSA-N	280.371	4.280	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)s1	191354037	QGWZBEPTXMJYHZ-XYOKQWHBSA-N	277.352	4.064	50	20	CIGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(SC(C)C)cc1	728430082	YRPSQTCYFORSJZ-UHFFFAOYSA-N	292.448	4.073	50	20	CIGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNc1ccccc1	734543702	UJGSWRYOOBUSAY-KRWDZBQOSA-N	288.435	4.372	50	20	CIGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(C)c1	735332429	ZYXBORXNWGZOOZ-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)C1CCCC1	781553581	SSJSDCBAZALSGZ-UVTDQMKNSA-N	294.329	4.040	50	20	CIGD	
CCC[C@@](C)(CC)C(=O)NNc1c(F)cccc1Cl	793838230	HJDYGOVIYZJLHL-CQSZACIVSA-N	286.778	4.139	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc2occc2c1	794691131	MHDWDYODIKAZCQ-ZROIWOOFSA-N	267.328	4.345	50	20	CIGD	
CC#CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	801196247	ZETKDUVOHQVQOZ-UHFFFAOYSA-N	285.237	4.306	50	20	CIGD	
CC(C)(C)CCCCC(=O)NNc1ccc(F)cc1F	804466483	AOLGEJJRZCBYQH-UHFFFAOYSA-N	284.350	4.014	50	20	CIGD	
C=CC[C@H](CC)NCc1ccc(OCCCCl)cc1	811500716	LQGLTTKGFVOKHM-HNNXBMFYSA-N	281.827	4.139	50	20	CIGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O	23857011	CZKHUOVZRMGHIM-JXMROGBWSA-N	289.743	4.060	50	20	CIGD	
Cc1ccnc(NC(=O)CCCC[C@H]2CCSS2)c1	69190340	BJVONXZEMXRRLZ-LBPRGKRZSA-N	296.461	4.043	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C)c1C	108658587	HABNQLABCGRKAI-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1F	125435536	UHJXWDVOYAGIKM-MLPAPPSSSA-N	272.348	4.272	50	20	CIGD	
C=CCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	175627295	JVWWRTVDJLHLOQ-UHFFFAOYSA-N	288.416	4.289	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c1	731784320	KMFNITADPXJMJW-HUUCEWRRSA-N	288.435	4.291	50	20	CIGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1c[nH]c2ccccc12	748243697	AUIXTJNSMXWMIP-LBPRGKRZSA-N	297.402	4.100	50	20	CIGD	
CCCC(CC)=NNC(=O)c1ccc2ccccc2c1	776185832	MZOYMSBZFXMLNN-UHFFFAOYSA-N	268.360	4.136	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)s1	799756944	NAYDXVFBQMHUSG-UHFFFAOYSA-N	294.807	4.029	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1ccccc1C	1115939675	XRONASSMVJPAPF-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
Cc1ccccc1[C@H](NC(=O)CCl)[C@@H]1CCC[C@H](C)C1	1253967985	IYKTWCGVGPAWNJ-DXCKQFNASA-N	293.838	4.217	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2sccc2C)c1	44028404	RXGUTNCNSSKLHH-NTEUORMPSA-N	297.379	4.245	50	20	CIGD	
COc1cccc2cc(/C=C(/C#N)c3nc(C)cs3)oc12	96843853	QWSWETXKWGFCFD-GHXNOFRVSA-N	296.351	4.271	50	20	CIGD	
CC(C)C[C@@H](CBr)COCc1ccccc1	230090549	CRSGVSSZOPDPQP-AWEZNQCLSA-N	285.225	4.260	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2CC(C)C)c1	790805147	YHQSEWXIEMILJR-UHFFFAOYSA-N	296.414	4.259	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)C(C)(C)F)c1	834447857	TXJUFKYPNUOEDX-WQLSENKSSA-N	277.364	4.023	50	20	CIGD	
N#C/C(=C\c1cccc(OC2CC2)c1F)C(=O)C1CCCC1	849180096	WYAQRMPKVFBNQU-GXDHUFHOSA-N	299.345	4.033	50	20	CIGD	
CCOC(=O)NN=C(C)c1cc2c(ccc3ccccc32)o1	916267826	JNIYPIFDUWHXRK-UHFFFAOYSA-N	296.326	4.056	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)o1	61110377	WHLWAGMCGQZIRR-MDWZMJQESA-N	277.279	4.124	50	20	CIGD	
CC(C)(C)[Si](C)(C)Oc1ccc(C=O)c(F)c1	299890008	SHBUACBQPLOMKZ-UHFFFAOYSA-N	254.377	4.022	50	20	CIGD	
Cc1ncccc1/C=C(/C#N)c1ccc2ccccc2n1	728787411	LSNSOIRVKDSTOJ-WJDWOHSUSA-N	271.323	4.002	50	20	CIGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(F)cc1F	743336620	MBKNATINBIIJDI-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1ccc(Cl)cc1F	747646195	MECKNBNJEKQLOO-UHFFFAOYSA-N	284.762	4.165	50	20	CIGD	
CC(CCCC(C)C)=NNC(=O)c1cc2c(s1)CCC2	764668067	WIWWYVPNLBBQBA-UHFFFAOYSA-N	292.448	4.169	50	20	CIGD	
CCC/C(C)=C\C(=O)NNc1ccc(C(C)(C)C)cc1	780806570	ZHSXQVZSQGLXIH-SEYXRHQNSA-N	274.408	4.174	50	20	CIGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)C1CCCC1	781553580	SSJSDCBAZALSGZ-GXDHUFHOSA-N	294.329	4.040	50	20	CIGD	
Cc1cc(C(F)(F)F)ccc1/C=C(\C#N)C(=O)C(C)(C)F	834448288	YSGZNKBYDRJIKA-YRNVUSSQSA-N	299.267	4.238	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)c(C)c1	849178221	CMKXRZOYSXLYSX-GXDHUFHOSA-N	289.350	4.008	50	20	CIGD	
CC(C)(C)c1ccc(/C=C\C(=O)NNc2ccccc2)cc1	884178986	BFRVMEKFQBYIBO-KAMYIIQDSA-N	294.398	4.141	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)c1ccsc1	194858233	YPSUCYASBPGWHU-VZUCSPMQSA-N	291.734	4.330	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776721209	ZUJZYMALDCUEQI-NYYWCZLTSA-N	279.742	4.391	50	20	CIGD	
CC[C@H]1CCC[C@H](C=NN(C)C(=O)OC(C)(C)C)C1	783831034	GXAQYOXZISYWKW-STQMWFEESA-N	268.401	4.056	50	20	CIGD	
C[C@H](CBr)CN1C[C@@H](C)C[C@@H]1c1ccccc1	796618585	INFZZTUWXRQUQO-GZBFAFLISA-N	296.252	4.101	50	20	CIGD	
Cc1ccc(NNC(=O)C2(C)CCCCC2)cc1Cl	1116710370	XDAVMQRMYYNEKE-UHFFFAOYSA-N	280.799	4.062	50	20	CIGD	
CC(C)(C)C[C@@H](NC(=O)CCl)c1ccc(Cl)cc1	1336910004	MBQUIPDMOHYHBS-GFCCVEGCSA-N	288.218	4.172	50	20	CIGD	
CC[C@@H](C)O[C@@H](CBr)c1cccc(C)c1	50480098	SFVXFAIIGWZSLS-YPMHNXCESA-N	271.198	4.246	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	588424944	SAFVIURGQVUURI-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1C	732715858	ARKGMIMKMPIDRL-ATVHPVEESA-N	296.414	4.002	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(F)c3F)[nH]c12	735618821	GEXGHBLXVMLULD-WQLSENKSSA-N	295.292	4.214	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1F	774558053	IMWLHWWLDPUJSO-OVCLIPMQSA-N	296.301	4.415	50	20	CIGD	
CC[C@H](C)[C@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791739448	OQSFUPBSMBKDKR-IUCAKERBSA-N	289.206	4.119	50	20	CIGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	918715677	PINHYIQSUOPLLC-FOWTUZBSSA-N	298.430	4.445	50	20	CIGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)C(C)(C)C	6853727	ADEMJQTYXNEGKG-QINSGFPZSA-N	285.387	4.388	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccccc2)n1	176918300	XNJNDKWLLZINLO-JYRVWZFOSA-N	254.358	4.331	50	20	CIGD	
CC(C)n1cc(/C=C(/C#N)c2ccc3ccccc3n2)cn1	732714892	ZQZXSIKQSYUMSO-SXGWCWSVSA-N	288.354	4.076	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1F	741466659	ABNNRHZBRCAARU-NTUHNPAUSA-N	272.348	4.272	50	20	CIGD	
CC[C@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743765009	CTKIEMUUZBSFNC-KRWDZBQOSA-N	296.414	4.249	50	20	CIGD	
CC1(C)CCCC1=NNC(=O)c1c(Cl)cccc1Cl	749855564	OTODMDHXKDDJLU-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CCC(=CC(=O)NNc1cc(Cl)ccc1Cl)CC	762817451	IFISUTQWEJIOQX-UHFFFAOYSA-N	287.190	4.183	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	794872893	AHPMFLHOFKVDHL-YRNVUSSQSA-N	279.742	4.391	50	20	CIGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNc1ccccc1	1319722002	SDBBJVDIYQERBF-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
C[C@H](c1ccccc1)N(C(=O)CCl)c1ccccc1	1319921796	MUHOYOJMUKWAAO-CYBMUJFWSA-N	273.763	4.020	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2C)c1	6410738	WOLRJPMKYXWKFG-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CC(C)(C)CCO[C@H]1CCCC[C@H]1Br	85341085	JJWBOHDHHWDWDV-MNOVXSKESA-N	263.219	4.145	50	20	CIGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cccc(Cl)c1	733949847	AZXIDUWPQIZLRS-CYBMUJFWSA-N	294.826	4.390	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)c1ccccc1	747698497	KSZBIQYNABPPCI-VJSUNBITSA-N	277.298	4.172	50	20	CIGD	
O=C(NNc1cc(Cl)ccc1Cl)C1CCCCC1	752812325	WQUDLEIGAFCVHN-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cccc2cccnc12	807967467	YLQIFGHLSFDSQK-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
C#CCCCCCC(=O)NNc1cccc(Cl)c1Cl	838343951	AMVJZMMRHUJQIU-UHFFFAOYSA-N	299.201	4.020	50	20	CIGD	
N#C/C(=C/c1cccn1C1CC1)c1nc(C2CC2)cs1	1346001979	LNYITJPFGSVSBD-WQLSENKSSA-N	281.384	4.221	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccsc2)cc1	212019255	PXEPLILYMPKTFJ-YBEGLDIGSA-N	281.380	4.490	50	20	CIGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)C(C)(C)C	213932082	AGEUXJXVEPIBFV-KAMYIIQDSA-N	293.366	4.371	50	20	CIGD	
CC(C)N(C(=O)CCCC[C@@H]1CCSS1)C1CC1	728865413	IIQNUSVGKCSPTA-CYBMUJFWSA-N	287.494	4.100	50	20	CIGD	
Cc1ccc(NNC(=O)[C@H](C)CC2CCCCC2)cc1	1335033949	UQCIZMRXIZMEDI-CQSZACIVSA-N	274.408	4.045	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)c(C)c1	48833217	BGDYVMAOWTWCQN-DHDCSXOGSA-N	255.361	4.216	50	20	CIGD	
N#C/C(=C/C=C/c1ccccc1)c1cnc2ccccc2n1	191356188	ZZLXSLGNPRIFHE-RKQKHZQPSA-N	283.334	4.250	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	747699185	QHDTWFVKFWFUQN-PPUAEEJLSA-N	294.285	4.354	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)C2CCCC2)c1	773914142	DFCHLYHCSRXLEW-ATVHPVEESA-N	267.372	4.305	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccoc1	798230290	OOZXMETXHBMBAZ-VZUCSPMQSA-N	292.121	4.376	50	20	CIGD	
Cc1nc(SCCO[Si](C)(C)C(C)(C)C)[nH]c1C	840210235	SNNMAWPTQSZLQY-UHFFFAOYSA-N	286.517	4.140	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1ccccc1C	7211077	MCHUYSTUVRPITM-LFIBNONCSA-N	261.324	4.093	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cc(C)c(C)cc2C)n1	96843895	AYUZMYPUEDEOJI-CHHVJCJISA-N	268.385	4.441	50	20	CIGD	
Cc1ccccc1NNC(=O)c1cc(Cl)ccc1Cl	192736227	MCUKZAHHOOSRRJ-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1cccc(F)c1	194531757	FYLKHGSYOSYFDT-VGOFMYFVSA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cccc(Cl)c2C)c1	194793143	ZMOCVIDNIORKDL-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CC(C)(C)[Si](C)(C)OC1(CC=O)CC(CF)(CF)C1	536950218	MIDXKVDEYMYSCS-UHFFFAOYSA-N	292.442	4.055	50	20	CIGD	
Cc1ccccc1NC(=O)NN=C[C@@H](C)c1ccc(F)cc1	756885103	SQTHLMHRSCMPPY-CYBMUJFWSA-N	299.349	4.045	50	20	CIGD	
CC(C)(C)CC(=O)NNc1c(Cl)cc(F)cc1Cl	767406495	HFDIBGZZZSMNBL-UHFFFAOYSA-N	293.169	4.012	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)CC(C)C)c1	773916262	WRHNWXPVHNXAHD-WJDWOHSUSA-N	255.361	4.161	50	20	CIGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2cccc(Cl)c2)C1	794474982	XYUJLSUZWHOEAQ-GFCCVEGCSA-N	292.810	4.272	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	794953517	MCLHKVGNCWAYNG-UVTDQMKNSA-N	294.354	4.254	50	20	CIGD	
N#C/C(=C/c1cccs1)C(=O)c1cccc(Cl)c1	810216386	IRCUUZFZXSOOSG-FLIBITNWSA-N	273.744	4.191	50	20	CIGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1cccc2ccccc12	814855099	FXVBNUWFBCBGNY-INIZCTEOSA-N	292.382	4.136	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2ccccc2C)c1C	1338501132	POUWDHIQBYUFJK-BOPFTXTBSA-N	292.382	4.223	50	20	CIGD	
CCCCCC(=C\c1ccccc1)/C=C(\C#N)C(=O)O	11285334	KHIMLRMCJNKZBL-JOBJLJCHSA-N	269.344	4.185	50	20	CIGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cn1	154902493	JOPRIZNCGRYDBG-CYBMUJFWSA-N	296.461	4.043	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1cccc(C)c1C	727654497	GRBCTFBRZIBJRA-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735620022	SVAZIUMXVXJZQA-XNTDXEJSSA-N	273.339	4.244	50	20	CIGD	
C[C@H](CC(=O)NNc1c(F)cccc1F)C1CCCCC1	735700326	KNFAVXXDBNYJJU-LLVKDONJSA-N	296.361	4.014	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741843000	WQEOLUJLZDQKHM-NASPGAHYSA-N	285.318	4.484	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	759035400	PCQUGBYEHSNDBS-GJSJWPQCSA-N	267.328	4.263	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1	774560191	WSDOPVRCNZDJCP-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(C)c1	779704710	WUQSLFOYHMRSMM-XNFYSYIQSA-N	261.752	4.171	50	20	CIGD	
O=C(CC1=CCCCC1)NNc1cc(Cl)cc(Cl)c1	791730793	FXCKHOLQDSDWNU-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)OC1CCCCC1	834745049	YYPLNQJNALVPPZ-LCYFTJDESA-N	289.762	4.123	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCF	857574226	FGDURXNSSNJPJP-UHFFFAOYSA-N	294.395	4.073	50	20	CIGD	
CC(CCC1CCCC1)=NNC(=O)c1cc(C)cs1	863155724	WNNZFAGCNLGDAK-UHFFFAOYSA-N	278.421	4.133	50	20	CIGD	
C[C@H](CC1CCCCC1)C(=O)NNc1c(F)cccc1F	1137675392	FCNKFAUOZHDHER-LLVKDONJSA-N	296.361	4.014	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(Cl)s1	1317737000	DQQFZCYZKWOENN-FLIBITNWSA-N	287.771	4.500	50	20	CIGD	
CCC[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	41947875	YUZVIPHAFTXWRS-VXGBXAGGSA-N	275.483	4.005	50	20	CIGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CC=CCC1	757421261	HHRREZVGJBREGZ-LBPRGKRZSA-N	297.310	4.010	50	20	CIGD	
Cc1cccc(Cl)c1NNC(=O)c1ccoc1C(C)C	836934168	CDVYIJUHBRVDLC-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1ccc2ccccc2n1	917564213	YLSWDCLELFLRBD-UHFFFAOYSA-N	297.402	4.311	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)OC1CCCC1	920125454	AUFJQFNKQIPRAF-LBPRGKRZSA-N	274.451	4.186	50	20	CIGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccccc1Cl	1318631679	ZSJKBXXGFDLUJC-LBPRGKRZSA-N	290.794	4.026	50	20	CIGD	
COCc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	176916702	FVAFXSJBHUGKGK-OVCLIPMQSA-N	298.411	4.477	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc2ccccc2c1	726120648	XHUZMFIZFYQWRQ-GZTJUZNOSA-N	263.340	4.362	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2occc2C)c1C	742350376	ZCYQVQGOSSDMPS-GDNBJRDFSA-N	296.370	4.206	50	20	CIGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1c[nH]c2ccccc12	769568173	YYKVMXLXMFDALK-CHWSQXEVSA-N	297.402	4.100	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)c1nc(-c2ccccc2)no1	916131066	AHIKBLUKGQTWPF-WJDWOHSUSA-N	287.322	4.109	50	20	CIGD	
C[C@H](Br)C1CCC(C(F)(F)F)CC1	85664777	QOVZDKRYRBUUSO-KKMMWDRVSA-N	259.109	4.139	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2o1	125485265	VGJWPEMKMSOZMG-HLVNSREUSA-N	267.328	4.345	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1ccc(Cl)nc1	743815372	ALHFSAUANWDKJZ-GFCCVEGCSA-N	297.830	4.175	50	20	CIGD	
C[C@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)C[C@H](C)C1	747764144	MTLGTPVBLRAKJB-NXEZZACHSA-N	296.773	4.021	50	20	CIGD	
COc1cccc2cc(/C=C(\C#N)C(=O)C3CCCC3)oc12	781556221	VNMHHZQBEOZTTR-GXDHUFHOSA-N	295.338	4.108	50	20	CIGD	
CCC(C)(C)CC(=O)NNc1cc(Cl)cc(Cl)c1	791730579	BMEGHVXQJORJAV-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
CCCN(N=C(C)c1sccc1C)C(=O)OC(C)(C)C	794998843	WKMRJNNMDHNNMJ-UHFFFAOYSA-N	296.436	4.428	50	20	CIGD	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)s1)C(=O)O	25581623	PBTZGKGPNQROCL-JXMROGBWSA-N	289.743	4.060	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(Cl)c1	44028356	BCMQIJMPXVXKDA-KPKJPENVSA-N	287.771	4.500	50	20	CIGD	
CC[C@H](C)Sc1ccc(NC=C(C#N)C#N)c(C)c1	748208339	PELTVEGKZIXTEF-LBPRGKRZSA-N	271.389	4.229	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@H]2CCCCC2(C)C)c1	752616174	ACSIPGHBZYTKKR-CQSZACIVSA-N	274.408	4.045	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccsc1Cl	790220698	UVYRZVRXUMUQJX-FKVCUQLRSA-N	267.781	4.314	50	20	CIGD	
CCCN(N=C1CCC[C@@H]1C(C)C)C(=O)OC(C)(C)C	794996812	LUJLTOGXKXYRCT-CYBMUJFWSA-N	282.428	4.446	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	806553023	FABZRWUSEBLFCE-QINSGFPZSA-N	297.427	4.222	50	20	CIGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccco2)cc1	6854063	PVMNWRLVKHYEKN-QINSGFPZSA-N	294.354	4.168	50	20	CIGD	
BrCC(c1ccccc1)c1ccccc1	85663796	RWWBIXFAJZCCQX-UHFFFAOYSA-N	261.162	4.213	50	20	CIGD	
C[C@@H](CBr)CCc1nc2ccccc2s1	86826490	VBWGNJQNKWRXDF-SECBINFHSA-N	284.222	4.260	50	20	CIGD	
C#CCNc1cccc(S(F)(F)(F)(F)F)c1	186146452	UXOOBCCQJJBCHR-UHFFFAOYSA-N	257.227	4.389	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cc2ccccc2o1	749825418	BTRYWRWIARPUNG-GFCCVEGCSA-N	286.375	4.365	50	20	CIGD	
CSc1cc(/C(C#N)=C\c2cc(C)c(C)cc2C)ncn1	773176065	IVPVWIYQXGMBMB-CHHVJCJISA-N	295.411	4.188	50	20	CIGD	
CCC(CC)(CC)C(=O)NNc1nc2ccccc2cc1C	777477956	ADJFQEFYBQYSKS-UHFFFAOYSA-N	299.418	4.203	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)Nc2ccc(C)c(C)c2)c1	778220251	XIHYQXIXGAYOGQ-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
O=C(C[C@@H]1C=CCCC1)NNc1ccc(Cl)cc1Cl	779008692	YRZDTSZJRZWVIR-SNVBAGLBSA-N	299.201	4.183	50	20	CIGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1cccc2ccccc12	783850626	UZKLVPHHRUFDMH-KGLIPLIRSA-N	294.398	4.382	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811628099	MZYMQDVSHAKHFP-ZKUGPGMGSA-N	287.306	4.289	50	20	CIGD	
C[C@]1(NC(=O)CCCC[C@H]2CCSS2)CC=CCC1	838315128	DKUFNSZUWRRMET-ZFWWWQNUSA-N	299.505	4.316	50	20	CIGD	
CCCC1(C(=O)NNc2cccc(Cl)c2Cl)CC1	838349957	SPXHXOPRLXXVRI-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
C[C@@H](O)c1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1	853715950	JJGODYAAJDSIMK-CYBMUJFWSA-N	296.483	4.141	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	917546585	BKRZUQGJVPXFKP-ZDUSSCGKSA-N	280.371	4.136	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(F)cc1F	7211033	SECPBHVQEGUGRP-MDWZMJQESA-N	283.277	4.063	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1Cl	48639745	BONHADGFXPKTDL-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
CCC[C@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	120409140	JCBYLPPXCGEFPI-KRWDZBQOSA-N	282.387	4.022	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2ccsc2)o1	193745987	BMWYZZMUUQDNFM-WIQNMOJYSA-N	283.352	4.254	50	20	CIGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccsc2)c(C)c1	213360538	KIKIWMUHHUYTGQ-NVNXTCNLSA-N	296.395	4.219	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	726429340	SVFRWAFPZYZJLC-JMRXEAOASA-N	279.339	4.469	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc(C)c(C)s2)c1	741473785	LBLJOEDLCCPFTB-NTUHNPAUSA-N	272.348	4.272	50	20	CIGD	
CCC[C@H](C=NN(C)C(=O)OC(C)(C)C)c1ccccc1	769570798	TZMYDMGWQGFKIY-OAHLLOKOSA-N	290.407	4.423	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(CCl)c1	799890631	SKGHNNPBJWWKHK-ZSOIEALJSA-N	285.730	4.117	50	20	CIGD	
N#C/C(=C/c1ccc(C2CCCC2)cc1)c1ccncn1	812243711	SGSUEQANNFMZNR-BOPFTXTBSA-N	275.355	4.198	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1Cl	812244817	ISEVNQUKGPJTMR-WUXMJOGZSA-N	299.717	4.016	50	20	CIGD	
Cc1cc(C(=O)NNc2c(C)cccc2C(C)C)c(C)o1	812768783	GLGMXCFGEYMVJZ-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
O=C(Cc1ccc2ccccc2c1)NN=CC1CCCCC1	915976524	LSGOQPLPWOZDLT-UHFFFAOYSA-N	294.398	4.065	50	20	CIGD	
CC(C)C[C@H](C)OC1(CBr)CCCC1	50480562	FUAMNTXGVKOVNO-NSHDSACASA-N	263.219	4.145	50	20	CIGD	
C=CCOc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	125430437	DRXGLSWBUNDNGW-OQLLNIDSSA-N	296.395	4.389	50	20	CIGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(C)cc1	749194229	PLTLWHBKKNMDPG-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)c1ccccc1	766752905	ULZRSZKHJKUDJC-CMPLNLGQSA-N	299.208	4.100	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	783686749	ADVXVZDNUQAODR-RMKNXTFCSA-N	277.732	4.093	50	20	CIGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1ccccc1F	785450050	VULKKTAWJBSCSL-CHWSQXEVSA-N	290.382	4.004	50	20	CIGD	
CCN(C[C@H](C)CBr)c1ccc2[nH]ccc2c1	788281522	KSQIMWOOLLEMNI-LLVKDONJSA-N	295.224	4.025	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1cccc(F)c1	799888202	FGGVVKKUPWUQOZ-BQYQJAHWSA-N	274.722	4.461	50	20	CIGD	
ClCCCOc1ccc(CN2CC3(CCCC3)C2)cc1	813330865	CRZFCUKDGBVNHF-UHFFFAOYSA-N	293.838	4.070	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)c(F)c1F	853003497	MNMVZFNHBDQLEY-YRNVUSSQSA-N	281.277	4.016	50	20	CIGD	
Cc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	132907850	GXYHSKZZNNDONK-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(C)nc2)cc1	154253938	GIUYTEIHIBMNMP-WOJGMQOQSA-N	290.366	4.132	50	20	CIGD	
C=C[C@H](CC(=O)NNc1cc(C)ccc1C)c1ccccc1	179487731	IXGAPFNSDCWRTO-MRXNPFEDSA-N	294.398	4.106	50	20	CIGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)c1ccccc1	747032933	KXNSXMIAGZEQAX-NTEUORMPSA-N	299.276	4.078	50	20	CIGD	
O=C(CCCC1CCCC1)NNc1ccc(Cl)cc1	749273683	SBTWOQNXYPMFLU-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CC(C)(C(=O)NNc1ccc(Cl)c(F)c1)C1CCCC1	757142903	VWVQWCGZNDCYQH-UHFFFAOYSA-N	298.789	4.139	50	20	CIGD	
Cc1ccc(NNC(=O)[C@H](C)CCCc2ccccc2)cc1	776222203	IJJABDGVWBNVPF-MRXNPFEDSA-N	296.414	4.097	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1ccccc1	779221137	OMQPMMJUEGZPBK-WDZFZDKYSA-N	273.744	4.191	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)C1CCCC1	790100145	MVDVVCWSCOEAPJ-YRNVUSSQSA-N	265.765	4.068	50	20	CIGD	
CCCCCC[C@@](C)(CC)C(=O)NNc1ncccc1F	804212432	UHOOXRGYPRUOOV-MRXNPFEDSA-N	295.402	4.051	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)c1ccc([N+](=O)[O-])cc1	790210504	GAXBXYGKGOXNNM-XFFZJAGNSA-N	290.731	4.374	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(O)cc2)s1	797399812	WJUWFRBMOHYJMA-XYOKQWHBSA-N	284.384	4.210	50	20	CIGD	
N#C/C(=C/c1cccc(F)c1C#N)c1ccc2ccccc2n1	811686838	ASPATOBVVFMBFX-GDNBJRDFSA-N	299.308	4.310	50	20	CIGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(C(C)(C)C)cc1	819479678	NNYQALTUNJGGCO-UHFFFAOYSA-N	274.408	4.030	50	20	CIGD	
O=C(CCl)N1CCCCC[C@H]1c1ccc(Cl)cc1	1320465163	AVOJVQBRVNRYPQ-ZDUSSCGKSA-N	286.202	4.023	50	20	CIGD	
CC(C)c1scnc1NC(=O)C1CCC(Cl)CC1	1528424938	AXBVCLJTWSNXJA-UHFFFAOYSA-N	286.828	4.003	50	20	CIGD	
Cn1c(/C(C#N)=C/c2ccc(Cl)s2)nc2ccccc21	21956754	SXQUKKLMAGDIID-CSKARUKUSA-N	299.786	4.352	50	20	CIGD	
O=C(NN=C1CCCCCCC1)c1cccc2cccnc12	64366982	QCHFHOIVEPOCNU-UHFFFAOYSA-N	295.386	4.065	50	20	CIGD	
COC(=O)c1ccccc1Oc1ccc(CCl)s1	514277833	KSCWLBVLCGEBGX-UHFFFAOYSA-N	282.748	4.066	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccccc1Cl	726119439	YRSDWOSPVJBJRB-UKTHLTGXSA-N	261.752	4.252	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	753683508	RRWJYAOLKRORCO-VKRGWIQLSA-N	265.715	4.001	50	20	CIGD	
Cn1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1	763278109	VTKRZJJLADZGBF-LFIBNONCSA-N	292.382	4.112	50	20	CIGD	
CC(C)[C@H](C=NN(C)C(=O)OC(C)(C)C)c1ccccc1	794496553	YISMUAZLFRPCCC-HNNXBMFYSA-N	290.407	4.279	50	20	CIGD	
Cc1csc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)c1	863157261	WJUIQXVEGRNYFL-AWEZNQCLSA-N	298.411	4.110	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1ccc(CC)cc1	917572220	GLJAMZUUASKFEJ-UHFFFAOYSA-N	274.408	4.325	50	20	CIGD	
N#C/C(=C/c1ccnc2ccccc12)c1nc2ccccc2[nH]1	33585295	RTJVCAFGOVPANU-KAMYIIQDSA-N	296.333	4.175	50	20	CIGD	
O=C(CCCC1CCCC1)NNc1cccc2cnccc12	178514895	RIICXZVIUZERPV-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
CC(CC1CCC1)=NNC(=O)c1c(Cl)cccc1Cl	758371736	ZNNSPQZWDXMOSQ-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
Cc1ccccc1[C@H](NC(=O)CCl)[C@H]1CCC[C@H](C)C1	1253967987	IYKTWCGVGPAWNJ-RVSPLBMKSA-N	293.838	4.217	50	20	CIGD	
CC[C@@H]1CCCC(=NNC(=O)c2ccccc2Cl)C1	1318641737	PGELRTQVZCRPKH-LLVKDONJSA-N	278.783	4.026	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)o1	11297287	BVMBFVQZMQHMNK-XYOKQWHBSA-N	271.703	4.031	50	20	CIGD	
Cc1nc(C2CC2)cc(C2CC2)c1CBr	584883107	AGWYGMHRNLJTDY-UHFFFAOYSA-N	266.182	4.040	50	20	CIGD	
C=CCCC(CC)=NNC(=O)[C@@H](CC)c1ccccc1	731933106	UYBQWZKRZHRPTJ-INIZCTEOSA-N	272.392	4.029	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	741468026	CEIAFYDUAKURTE-BQKMTIGVSA-N	298.342	4.063	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777872427	URZKVRZLBRENCA-AAIQCTMTSA-N	293.313	4.119	50	20	CIGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1c(Cl)cccc1Cl	780640238	AALNYRSXTQVFFF-BDAKNGLRSA-N	289.206	4.119	50	20	CIGD	
CCCCC[C@@](C)(CC)C(=O)NNc1ccccc1	780948571	OSAVQHMAEWYVFI-MRXNPFEDSA-N	262.397	4.126	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc(C)cs2)c(Cl)c1	797157581	QZKFBVAVKHLVBU-WZUFQYTHSA-N	290.775	4.178	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccnc(Cl)c1	799891326	COYLCUMJUVWAAF-PLNGDYQASA-N	292.165	4.370	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)/C=C\Sc2ccccc2)c1	728056603	YAGAOEHKWTZIKT-HJWRWDBZSA-N	298.411	4.053	50	20	CIGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1cccc2ccccc12	766020139	KPEVZCRPMXWOEA-CYBMUJFWSA-N	294.398	4.382	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811628098	MZYMQDVSHAKHFP-SXPLAPADSA-N	287.306	4.289	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2ccncc2s1	849244396	AEJJMEBMJFWAPV-ZWSXMNCCSA-N	284.384	4.209	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1	916131562	JRFYNCKSAIANOP-WJDWOHSUSA-N	287.322	4.109	50	20	CIGD	
CCC[C@H](C(=O)NNc1cccc(C)c1)c1ccccc1	72514009	GFACIUIJKXEHEU-KRWDZBQOSA-N	282.387	4.022	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1	172215329	UTIWQMURRIWXHD-NTEUORMPSA-N	283.277	4.063	50	20	CIGD	
CCCCCCCCC(=O)NNc1cccc(C)c1	219281938	MGIJTRYYRFLYPV-UHFFFAOYSA-N	262.397	4.189	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2cccnc2Cl)ccc1[N+](=O)[O-]	255636012	BEABEJDVIBSUQQ-JYRVWZFOSA-N	299.717	4.016	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	730149408	HWODQFPPVQIUFE-FBKCMUNRSA-N	285.387	4.244	50	20	CIGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@@H]1CCCC[C@@H]1C	834921055	RAJMXPOHRPKCAW-GXTWGEPZSA-N	297.402	4.100	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	44027327	OPUFAWMZDAUQBA-BJMVGYQFSA-N	268.143	4.125	50	20	CIGD	
CC1CCC(O[C@H]2CCCC[C@@H]2Br)CC1	50502747	XJRRQVIMNZEDCA-TYUFSLCMSA-N	275.230	4.288	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	54803115	UWTGXJAOAUQTLA-XNTDXEJSSA-N	283.371	4.140	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1	102713764	VNCRYUKUTRDSHF-YRNVUSSQSA-N	297.276	4.107	50	20	CIGD	
C[C@H](O[C@@H]1CCCCC[C@@H]1Br)C(F)(F)F	203530240	BJQAJAFVAZOZBX-XHNCKOQMSA-N	289.135	4.050	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)CC(C)C)c1OC(F)F	588394128	BKBAMLAKQKFBTB-JYRVWZFOSA-N	293.313	4.119	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	737442559	CGODLPHEHMNLMT-DHDCSXOGSA-N	297.398	4.312	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3n2)ccc1C#N	766488722	BHAYPERSJACKIX-WQRHYEAKSA-N	295.345	4.479	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1C	772180272	VBDKPZQLGGCKQV-GIDUJCDVSA-N	297.304	4.372	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)C(C)(C)C)c1	773905907	DLWQTRGOXXNMHF-PTNGSMBKSA-N	255.361	4.161	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccco1	8200407	WEKZSZDMBXUEFH-FVIOEUFFSA-N	263.296	4.016	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)s1	170933590	AXZKUAFZJUUJOP-YRNVUSSQSA-N	273.382	4.216	50	20	CIGD	
CC(C)(C)CC(=O)NN=C1CCC(c2ccccc2)CC1	728431338	RGIWHIOAXKTJBU-UHFFFAOYSA-N	286.419	4.253	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(C)c1C	741475262	WVCZHVYETKGRGK-RKPNYOAGSA-N	255.361	4.216	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C)c(Cl)c1	766290893	UNMKEWDMIDWYPX-QVASGMJFSA-N	261.752	4.171	50	20	CIGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)C(C)(C)C	779220885	KGPXATDABWDEAF-XFXZXTDPSA-N	291.778	4.261	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1Cl	781554370	NMWDWNICISIWIA-MDWZMJQESA-N	289.762	4.015	50	20	CIGD	
N#C/C(=C\c1cncs1)C(=O)c1cc2ccccc2s1	788360554	LERKQLSYRHURDG-VZUCSPMQSA-N	296.376	4.148	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1ccoc1	798229714	GUDRTYQPTFGQGB-WDZFZDKYSA-N	292.121	4.376	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(CCl)c1	799890630	SKGHNNPBJWWKHK-RIYZIHGNSA-N	285.730	4.117	50	20	CIGD	
CCc1ccc(C(=O)NN=C(CCC(C)C)C2CC2)cc1	802706064	AYVGVOWKWGNBJD-UHFFFAOYSA-N	286.419	4.181	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)c1ccoc1	806557745	YYOIJAFDVAALKV-NTUHNPAUSA-N	285.730	4.340	50	20	CIGD	
C[C@@H]1CCC[C@](CBr)(OC(C)(C)C)C1	50503470	NAXIPGWTJQPTQD-PWSUYJOCSA-N	263.219	4.145	50	20	CIGD	
C=CCCC(CC)=NNC(=O)c1c(Cl)cccc1Cl	727779150	PJMWQNGHLPHUDP-UHFFFAOYSA-N	299.201	4.455	50	20	CIGD	
C[C@H](c1ccc(Cl)cc1Cl)N1CC=C(C#N)CC1	767120397	SFHOHFHWTJIMSY-SNVBAGLBSA-N	281.186	4.210	50	20	CIGD	
Cn1cccc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788330381	HHASYSUPBDQARP-LCYFTJDESA-N	292.363	4.030	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1	790601985	YZBPECVSEDZVRP-WQLSENKSSA-N	290.432	4.353	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C\c1csc2ccccc12	810217090	VYYVMEWVVPIPLH-RAXLEYEMSA-N	298.411	4.115	50	20	CIGD	
CCCN(C(=O)CCCC[C@@H]1CCSS1)C(C)C	848291939	JCGNXJFADPTMFL-CYBMUJFWSA-N	289.510	4.348	50	20	CIGD	
CC(C)(C)c1nnc(CCCC[C@@H]2CCSS2)o1	1331873657	GNGIEHDPRPSUPH-SNVBAGLBSA-N	286.466	4.234	50	20	CIGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)c2ccccc2Cl)C1	1342194502	GIZFZNBLIVBTPR-OLZOCXBDSA-N	292.810	4.272	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	32130119	HDGAEQGXZRYZHN-RIYZIHGNSA-N	284.384	4.223	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1	48639791	XQKGJSSFTLYOIG-GDNBJRDFSA-N	281.380	4.409	50	20	CIGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccco2)cc1	211680868	YSPFBHXCVWUKAP-LKKYZFDUSA-N	294.354	4.339	50	20	CIGD	
Cc1ncccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730149536	ANXJTZQFDKMSDS-KPKJPENVSA-N	295.342	4.203	50	20	CIGD	
CCC[C@H](CC1CCCC1)C(=O)NNc1ccc(F)cc1	733252691	KUBNYQCICIGVKO-CQSZACIVSA-N	292.398	4.265	50	20	CIGD	
CSSCC/N=C/c1cc(Cl)cc(Cl)c1O	790574275	KKNMFMKTDGEOKA-AWNIVKPZSA-N	296.244	4.129	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1cccc(F)c1	799892421	LTCMUIMEWRWDAM-NVNXTCNLSA-N	299.732	4.354	50	20	CIGD	
CC(C)=CCC[C@H](C)CC(=O)N(C)CC(Cl)Cl	848084744	GLIKMDQPTVQZDH-NSHDSACASA-N	280.239	4.021	50	20	CIGD	
Cc1cc2nc(C(C)(C)CCCCCl)nc(O)c2s1	849184629	UIFHDDJTNJJYQA-UHFFFAOYSA-N	298.839	4.392	50	20	CIGD	
CC(C)=CCOC(=O)CCCC[C@H]1CCSS1	916610026	DMBZODAXHRWXRA-LBPRGKRZSA-N	274.451	4.210	50	20	CIGD	
COc1ccc2ccccc2c1/C=C(/C#N)c1ccccn1	82068161	HNJAFHZWZUHYEZ-QINSGFPZSA-N	286.334	4.308	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1sccc1Br	274090957	QDSTZYAQRUVYEH-CYXIBPNKSA-N	298.205	4.033	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2sccc2Cl)cc1	588600694	FPLPYINEZDUKTE-XYOKQWHBSA-N	287.771	4.500	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	729151817	YBKJWMLRNHLNEU-MHWRWJLKSA-N	297.398	4.312	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CC23CCCC3)cc1	780801994	BBKRHYOXIJJNEL-HNNXBMFYSA-N	286.419	4.008	50	20	CIGD	
Cc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)c(C)c1	781066328	CYNABANDMGSRJZ-GFCCVEGCSA-N	298.224	4.052	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccsc1Cl	790220699	UVYRZVRXUMUQJX-MDXIRLPMSA-N	267.781	4.314	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1	794885332	QRMTWDJDPXTJTC-WQRHYEAKSA-N	298.345	4.333	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccccc1	799887953	ASVBCDCMQRQCOC-KTKRTIGZSA-N	256.732	4.322	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCSc1cc(C#N)ccn1	821075698	YVOUKLRBIZITOI-UHFFFAOYSA-N	294.496	4.067	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2ccc(C3CC3)cc2)cc1	854883366	ZRFAIMTYZZQVIV-UHFFFAOYSA-N	294.398	4.444	50	20	CIGD	
CCCCCCCCCC(=O)NNc1ccc(F)cc1	888424776	CRIFTZCVJVSOHR-UHFFFAOYSA-N	280.387	4.410	50	20	CIGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccccc1	916248939	SVUDEJRRUXSPNH-RSYUTVAESA-N	270.376	4.095	50	20	CIGD	
Cc1ccc2cc(/C=C(\C#N)C(=O)C(C)C)c(Cl)nc2c1	55040160	FIKYJUUJMTVQPO-RIYZIHGNSA-N	298.773	4.329	50	20	CIGD	
Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	133167270	RLTPYJDPPUEQHB-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	741468111	CEIAFYDUAKURTE-VMDJFWTJSA-N	298.342	4.063	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777872429	URZKVRZLBRENCA-SEEODLKFSA-N	293.313	4.119	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc2ccccc2c1	786676861	DAQQYGZPYNKAGA-HVOBPNNYSA-N	291.350	4.304	50	20	CIGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)C1CC1	855860627	XMOXIIJAIUFEHS-OLZOCXBDSA-N	287.494	4.005	50	20	CIGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)c2ccsc2)c1	193346575	BHWKAUIZRKOFPR-OQLLNIDSSA-N	295.363	4.103	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	255635557	AUGJEDWUWRABBZ-WCIBSUBMSA-N	299.267	4.367	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	731564391	CRHKPCFFYDDHRX-RERGGYADSA-N	297.398	4.312	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1cc(Cl)ccc1O	744774082	XQZRFMYECRWTBL-UHFFFAOYSA-N	296.798	4.122	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCCC2)cc(C)c1O	767713590	LEVXDIXPEYKDPR-MHWRWJLKSA-N	283.371	4.065	50	20	CIGD	
C[C@H](CC1CCCC1)C(=O)NNc1c(F)cccc1Cl	770203148	FIGROJLSIXQRCL-SNVBAGLBSA-N	298.789	4.139	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)ccc1C	794874467	LPALFULFFVTXOI-MDWZMJQESA-N	259.324	4.046	50	20	CIGD	
CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)c1ccccc1Cl	1116461778	WYILDXUJSVMXJO-OCCSQVGLSA-N	290.794	4.048	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2sccc2C)c1	116609272	YRZRTXTVQSBWNV-JYRVWZFOSA-N	285.343	4.294	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1csc2ccccc12	726429806	VZOIHIIDPZHRJN-LCFDYFRESA-N	269.369	4.423	50	20	CIGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)c1ccco1	732577642	QNUMAXJZRVRQJK-PTNGSMBKSA-N	273.291	4.223	50	20	CIGD	
C[C@H](NCCO[Si](C)(C)C(C)(C)C)c1cccc(O)c1	808743761	ODVKWHNXFWUTEE-ZDUSSCGKSA-N	295.499	4.065	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cncn2C(C)C)n1	901480548	MQVZQJQJCXZRRL-LFYBBSHMSA-N	286.404	4.108	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(SC)cc1	255212389	GHTDGALZINPQPE-GXDHUFHOSA-N	273.401	4.321	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1F	741470880	WYXRBMDRLFTHJS-IGVUGNCQSA-N	259.324	4.046	50	20	CIGD	
CC1(CC(=O)NNc2ccc(Cl)cc2)CCCCC1	753817992	IVLMWXKLKHFVIS-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)c1ccccc1	755403918	JJTXEVROUWOWGK-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(C2CC2)c1	817342996	WMDXDMKIDQPNOK-GDNBJRDFSA-N	253.345	4.086	50	20	CIGD	
CC(C)(CCBr)c1ccc(Cl)cc1	86832354	WSQJKMYYISVOTF-UHFFFAOYSA-N	261.590	4.403	50	20	CIGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1ccc(Cl)s1	588424912	QUMZPWIERIRNHF-GHXNOFRVSA-N	298.754	4.063	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)c2cnc3ccccc3n2)c1	588581022	YYUVVGGNNRGDIU-YBEGLDIGSA-N	285.350	4.311	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)[C@H](C)CCC)cc1	741470032	OXRXFKREMLGHPQ-IZCBMXNHSA-N	285.387	4.388	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1C	741474965	UOMFKZWQTGOXLV-FBKCMUNRSA-N	255.361	4.216	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	755602678	YVGMDFFLQMCZPJ-BZPKPHBRSA-N	279.742	4.391	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc3ccccc3c2)C[C@H]1C	767371156	SWDOGAORNIWOSE-UONOGXRCSA-N	294.398	4.382	50	20	CIGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(C(C)C)o2)c1C	1117203429	XUXWSULWSLAHNB-OQLLNIDSSA-N	298.390	4.086	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@H]2CCCC[C@@H]2C)cc1Cl	1318013819	WKQGRJGKBHFSLV-WCQYABFASA-N	294.826	4.308	50	20	CIGD	
CC[C@@H](C)O[C@@H](CBr)c1ccc(C)cc1	50480052	OVIIAVOUFUTPGQ-YPMHNXCESA-N	271.198	4.246	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(Cl)c(Cl)c2)c1	72514461	GUGMJFWQURGMJR-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
ClC[C@]1(COCc2ccccc2)CC=CCC1	306377431	RTZMTOAVMXLNCS-HNNXBMFYSA-N	250.769	4.169	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1	588597693	UVDVQSCJGKFLLQ-NSIKDUERSA-N	283.277	4.063	50	20	CIGD	
CCCCCC[C@H](C)C(=O)NNc1cccc2cnccc12	748758847	IHYCIQNRTRPDQY-AWEZNQCLSA-N	299.418	4.284	50	20	CIGD	
CC1CCC(=CC(=O)NNc2ccc(Cl)c(F)c2)CC1	748896627	ULYFALNIQANISJ-UHFFFAOYSA-N	296.773	4.059	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(F)c2F)cc1C	809145801	GIKSIPGQMFLRRC-OQLLNIDSSA-N	297.304	4.372	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)nc2)cc1C	809160285	LQEWDXICKZUQLP-OVCLIPMQSA-N	296.757	4.142	50	20	CIGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(OCC)cc1	817908475	JIGFHUGFGFUTKF-AWEZNQCLSA-N	292.423	4.135	50	20	CIGD	
N#C/C(=C/c1scnc1C1CC1)c1nc(C2CC2)cs1	843271631	CRLSWUMQUMDRES-WZUFQYTHSA-N	299.424	4.419	50	20	CIGD	
Cc1ccccc1[C@@H](CBr)OCC(C)C	50480835	RJBFPTFIAVMFKR-CYBMUJFWSA-N	271.198	4.104	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc(C)cs2)s1	103260450	RMTMFVLZYPSONM-UXBLZVDNSA-N	260.387	4.140	50	20	CIGD	
N#CC1=CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1	271102146	KHKUDEPBHJYVNQ-UHFFFAOYSA-N	294.398	4.030	50	20	CIGD	
CCCCCC[C@H](C)C(=O)NNc1cccc(Cl)c1	742042329	NCIKJVMNZJULJY-LBPRGKRZSA-N	282.815	4.390	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1ccccc1	746522218	MFQVFQJUUFMSPU-GXDHUFHOSA-N	273.291	4.223	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnc(C2CCC2)s1	760209801	GVLABDZWGRQTOH-JYRVWZFOSA-N	288.416	4.323	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1C	1337121386	DHQOKFIQLSBFMS-WJDWOHSUSA-N	291.350	4.102	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C	108658563	MKZSKJQTDLKWJC-GDNBJRDFSA-N	273.339	4.244	50	20	CIGD	
N#CC1=CCN(Cc2sc3ccccc3c2Cl)CC1	272630459	KHYAOCKIVUEDCA-UHFFFAOYSA-N	288.803	4.210	50	20	CIGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccc(CC)cc1	727256942	QRQRVOVANQYVGG-OAHLLOKOSA-N	286.419	4.325	50	20	CIGD	
CCC1(C)CCC(=NNC(=O)c2ccccc2C)CC1	751520541	IPEQABCWPSGEHI-UHFFFAOYSA-N	272.392	4.071	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1cccc(F)c1	785351210	MMAPHVVJNDXLHV-RKPNYOAGSA-N	295.313	4.037	50	20	CIGD	
Cc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1	812764706	CXXGKECBMYVZEB-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)s1	741475147	VQCSRWWOPZJKCI-YRNVUSSQSA-N	274.414	4.448	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(F)c1F	853005824	LNUKDLIUEBXMCJ-MDXIRLPMSA-N	281.277	4.016	50	20	CIGD	
CCC1CCC(=NNC(=O)c2cccc(Cl)c2)CC1	5455829	MKHYVAHSIGTHQP-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
Cc1cc(Cl)cc(C(=O)NNc2ccccc2Cl)c1	158359626	KZOQZZWQDOQTNK-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1cc(/C(C#N)=C/c2sccc2C)ccc1[N+](=O)[O-]	180570610	UWCBWVQUNYRKDQ-MDWZMJQESA-N	284.340	4.337	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc3c(c2)CCC3)n1	255203653	HHLVSSGKROWPON-OVCLIPMQSA-N	266.369	4.004	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H]1C1CC1	370761688	XHOUDEUDOUTNNE-UONOGXRCSA-N	299.505	4.102	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1ccc(F)cc1	588600670	CTMUFBBHERKIAW-BJMVGYQFSA-N	291.734	4.330	50	20	CIGD	
Fc1ccc(NCc2ccc(OCCCCl)cc2)cc1	811468289	KQEWEENEOLGKII-UHFFFAOYSA-N	293.769	4.446	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccccc2C)c1	1322945263	VTRBTZJLKJZZGO-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1[N+](=O)[O-]	23217096	GSVCADNUOBNYLT-NTEUORMPSA-N	293.326	4.177	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1F	61470168	YCPXUEBDEQFZEE-NSHDSACASA-N	299.436	4.478	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1	741474781	RLACQCWMGOOKPP-VSXLWIIGSA-N	261.752	4.252	50	20	CIGD	
CCCCCC[C@H](C)C(=O)NNc1cccc(C)c1	743301584	LNZICWXUWNTXHW-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1ccc2ccccc2n1	755894877	NUSZZSFLSPDJMF-ZDUSSCGKSA-N	299.418	4.140	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(F)c2F)cc1	764886792	TWEHOWWBGIFQOS-ZROIWOOFSA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2nccc3ccccc23)cc1	764892073	SAOJIJVSKBSKLF-ATVHPVEESA-N	298.345	4.333	50	20	CIGD	
CC(=O)c1ccccc1OCCO[Si](C)(C)C(C)(C)C	821057781	KGVRFVNYQMITSU-UHFFFAOYSA-N	294.467	4.290	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(F)cc1	213512342	ZUYLMZWOLVAXEP-PTNGSMBKSA-N	295.313	4.014	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	255848714	YMMATYRZAODIKD-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	726118108	ISPQINDHONSDNV-YBEGLDIGSA-N	285.387	4.386	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1OC(F)(F)F	726428970	QVCUHZIGZJMBLH-BKLZJWBFSA-N	297.276	4.107	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1F	731488652	OFRIELXYXPMHFW-MDWZMJQESA-N	277.302	4.075	50	20	CIGD	
CC(=NNC(=O)C1CCCC1)c1cccc(Cl)c1Cl	734978381	FTDRKFYTPMUOHT-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OC(C)C	741474864	SMFVBRWGLBNPQN-DSQDWWTGSA-N	285.387	4.386	50	20	CIGD	
N#C/C(=C\c1cc(C#N)cs1)c1ccc2ccccc2n1	748440093	GMRURXVMWOCASF-RIYZIHGNSA-N	287.347	4.232	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)C1CCCCC1	777870605	FQALVKIADYSTGP-OQLLNIDSSA-N	271.335	4.191	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1c[nH]c2ccccc12	807945315	LCDVUUFFHYWJQN-LBPRGKRZSA-N	285.391	4.100	50	20	CIGD	
COc1ccc(C)cc1/C=C(\C#N)c1nc(C2CC2)cs1	843272698	MQFAAJFMDWCXHB-RIYZIHGNSA-N	296.395	4.402	50	20	CIGD	
Cc1csc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)c1	863156172	OPOVLWIJGMWDOG-STQMWFEESA-N	290.432	4.133	50	20	CIGD	
CC[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCC2	916369368	CIOLGCRILVTRCS-LLVKDONJSA-N	292.448	4.169	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1	11333478	SHVRNBSPISARJR-NTEUORMPSA-N	297.741	4.138	50	20	CIGD	
Cc1cc(C)cc(Oc2ccc(NC(=O)CCl)cc2)c1	32145112	RCOZUXLBTGPRAV-UHFFFAOYSA-N	289.762	4.273	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1	33438634	RYBZOYFUKHPZHD-FLIBITNWSA-N	297.276	4.107	50	20	CIGD	
O=C(NNc1ccccc1)c1ccc(-c2ccccc2)cc1	70716968	ANPUDCXAVUDTOM-UHFFFAOYSA-N	288.350	4.111	50	20	CIGD	
Cc1ccccc1NNC(=O)c1cccc(Cl)c1Cl	120313895	ZMDQVHAVDFEHIH-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1ccc(F)cc1	255918603	XVTFBXHJJHBBGX-YFHOEESVSA-N	291.734	4.330	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1C	303501061	YOMKAWDKMBZLOQ-SFQUDFHCSA-N	296.414	4.002	50	20	CIGD	
CCCC(=NNC(=O)c1ccccc1)C1CCCCC1	727779512	HDVFOEWWGIJUHG-UHFFFAOYSA-N	272.392	4.153	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3occc3C)c[nH]c2c1	742348944	GQISHSYJPGWAEI-JYRVWZFOSA-N	290.322	4.168	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cnc1Cl	760264835	OMHOIUFRWAEABX-QPEQYQDCSA-N	299.717	4.016	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)CC2CCCC2)cc1	780806395	OODVWBDUQGOYGG-UHFFFAOYSA-N	274.408	4.008	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCCC2)c1ccccn1	792859920	TVKVKMGGMBAZTK-ATVHPVEESA-N	260.340	4.025	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1sccc1O	799893694	VNSZEKXOXUHAPG-SNAWJCMRSA-N	278.760	4.089	50	20	CIGD	
CCCCCC(=C/c1ccccc1)/C=C(\C#N)C(=O)O	810193793	KHIMLRMCJNKZBL-UKVBVZPVSA-N	269.344	4.185	50	20	CIGD	
O=C(NN=C1CCCC[C@@H]1C1=CCCCC1)c1ccccc1	814686207	WREKPJYHHFLKTO-QGZVFWFLSA-N	296.414	4.463	50	20	CIGD	
Cc1ccccc1NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1	824114447	WRMLRGGYOIHGPV-SJORKVTESA-N	294.398	4.022	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1ccccc1Cl	1319380436	QMGBZTKZHKPMRZ-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	48639714	ATMXEABDNYWCEV-DHDCSXOGSA-N	267.353	4.100	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2cccs2)ccc1[N+](=O)[O-]	180570520	JNSQQUUQSNMZDQ-WQLSENKSSA-N	270.313	4.029	50	20	CIGD	
CC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCCC1	781040307	AGVJTMCLFCXPBP-UHFFFAOYSA-N	274.408	4.008	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccco2)s1	797399782	WDZBNBMBGRBHFF-YFHOEESVSA-N	258.346	4.098	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1ccoc1	798229713	GUDRTYQPTFGQGB-IZZDOVSWSA-N	292.121	4.376	50	20	CIGD	
N#C/C(=C/c1cccc(OC2CC2)c1F)C(=O)C1CCCC1	849180097	WYAQRMPKVFBNQU-UVTDQMKNSA-N	299.345	4.033	50	20	CIGD	
FC(F)(F)c1ccc2c(c1)nc(CCl)n2C1CC1	76041150	SKEVXCORGIICNX-UHFFFAOYSA-N	274.673	4.129	50	20	CIGD	
Cc1cc(F)ccc1NNC(=O)c1sccc1C(C)C	160796494	VWEXFEIZDZXVNU-UHFFFAOYSA-N	292.379	4.076	50	20	CIGD	
CCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	175621857	YZDGMNSDFVFTQY-UHFFFAOYSA-N	276.405	4.123	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	208856076	ODRNQCCJUUTIJE-ZROIWOOFSA-N	296.395	4.219	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	296002272	SNSLFDARRJNSEW-YFHOEESVSA-N	299.317	4.225	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)cc(C)c1	726119396	YGPIJTNLCDZBHV-MHWRWJLKSA-N	255.361	4.216	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cccc2ncccc12	748251644	MSVQEINYJJXMQT-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
N#C/C=C\COc1cc(Cl)c(Cl)cc1Cl	763298924	QXSMAKAEURBANE-UPHRSURJSA-N	262.523	4.105	50	20	CIGD	
Cc1ccc([C@H](C)N(C)C[C@H](C)CBr)cc1	770647720	LKOTWEXZRIQSKI-OLZOCXBDSA-N	284.241	4.019	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(C)c(C)c2Cl)c1	783644205	ALGZAVQYQPEYFA-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	794874919	PTFFWUQJTGGVBK-YHYXMXQVSA-N	281.277	4.016	50	20	CIGD	
FC(F)(F)CO[C@H]1CCCCCC[C@H]1Br	158359715	NIQLDUDIXVZUQF-BDAKNGLRSA-N	289.135	4.052	50	20	CIGD	
COC(=O)N(C)N=C1CCC[C@H](c2cccc(Cl)c2)C1	497002882	YXDPUHMJXZNPNW-LBPRGKRZSA-N	294.782	4.052	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1	726428344	KGEVFEKEALHPOI-MNSNDMNTSA-N	253.345	4.155	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2CCC[C@@H](C)C2)c(C)c1	743764466	JXQGRYWRUQIDRA-MLGOLLRUSA-N	288.435	4.271	50	20	CIGD	
CC(C)(C)c1cnc(/C=C(/C#N)C(=O)C2CCCC2)s1	790609131	JAXFVCJZHLPDMB-WQLSENKSSA-N	288.416	4.107	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	794873730	GPZQOQUPXQWVCB-TUZZZSKRSA-N	298.342	4.063	50	20	CIGD	
CCCCC(C)=NN(CCC)C(=O)OC(C)(C)C	794993298	VZTITYIKXYVLCH-UHFFFAOYSA-N	256.390	4.200	50	20	CIGD	
Cc1ccc(NNC(=O)C2CCCCCC2)cc1Cl	1115951182	QORXGEWRYYPUDU-UHFFFAOYSA-N	280.799	4.062	50	20	CIGD	
CC(C)(C)[C@@H](Br)c1nnc(-c2ccccc2)o1	1325813411	KMBMMXXNNLFXBZ-JTQLQIEISA-N	295.180	4.219	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255082258	LYKGUNAQFFTNHD-WQRHYEAKSA-N	290.366	4.271	50	20	CIGD	
CC[C@H](C=NN(C)C(=O)OC(C)(C)C)c1ccccc1	495658033	NBDJIDWRQXLNNE-CYBMUJFWSA-N	276.380	4.033	50	20	CIGD	
Cc1ccccc1C(=O)NN=C[C@H](c1ccccc1)C(C)C	794478735	RVKLCDGCPBYJHR-SFHVURJKSA-N	294.398	4.150	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C\c1ccc(F)c(F)c1	794715701	YCRIPWAHKCLDJO-RKOYKYSNSA-N	289.325	4.433	50	20	CIGD	
CCCN(N=C1CCC(F)(F)CC1)C(=O)OC(C)(C)C	842533197	MUBNNRAJSPYMGY-UHFFFAOYSA-N	290.354	4.199	50	20	CIGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)C(C)C)s2)cc1	114991535	OXKOPQZLPUAPMA-ZSOIEALJSA-N	296.395	4.251	50	20	CIGD	
C[C@H]1C[C@H](OC(C)(C)CBr)CC[C@H]1C	158456757	JDORXEROAOVTCY-OUAUKWLOSA-N	263.219	4.001	50	20	CIGD	
CC(C)n1cc(/C=C(\C#N)c2ccc3ccccc3n2)cn1	732714890	ZQZXSIKQSYUMSO-CXUHLZMHSA-N	288.354	4.076	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c(C)o1	767887275	QKOVVLHNGLJBKD-CXUHLZMHSA-N	279.339	4.303	50	20	CIGD	
CC(C)CCN(C)C(=O)CCCC[C@H]1CCSS1	45483277	VZEUFXRPYPYIGN-ZDUSSCGKSA-N	289.510	4.205	50	20	CIGD	
C[C@@H](CBr)c1ccc(OC(F)(F)F)cc1	84192459	PGYUYQKDRYWVMS-ZETCQYMHSA-N	283.087	4.084	50	20	CIGD	
CC(C)(C)O[C@@H]1CCCCCC[C@@H]1Br	158046130	RQSVPTAKWBOYJQ-WDEREUQCSA-N	263.219	4.288	50	20	CIGD	
CSSCCNc1ccc(C(F)(F)F)c(C#N)c1	397994340	YPAYKYLBUBCYQR-UHFFFAOYSA-N	292.351	4.000	50	20	CIGD	
Cc1noc(C)c1/C=C(\C#N)c1nc2cc(F)ccc2s1	730148910	PGFYDGAYXISSIW-BJMVGYQFSA-N	299.330	4.104	50	20	CIGD	
CCCOc1cccc(/C=C(/C#N)C(=O)C(C)(C)CC)c1	794874428	LBIGCECOXMDTEQ-PTNGSMBKSA-N	285.387	4.388	50	20	CIGD	
CCCCCCNC(=O)CCCC[C@H]1CCSS1	42063802	HSEPNJRXPWMKQB-ZDUSSCGKSA-N	289.510	4.397	50	20	CIGD	
CCCCCOC1(CBr)CCCCC1	50481626	NMUYOOOQKRKIQQ-UHFFFAOYSA-N	263.219	4.291	50	20	CIGD	
CC(C)c1ccc(-c2nnc(SC/C=C/C#N)o2)cc1	298429868	RNNMFRUCNDZLNA-ONEGZZNKSA-N	285.372	4.032	50	20	CIGD	
F[C@H](CBr)Cc1ccc2ccccc2c1	585142317	XDYHQOYRHXCAQY-ZDUSSCGKSA-N	267.141	4.115	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1F	588597477	QYYNYAALJZJCDU-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)CC(C)(C)C	750899856	HNPVXBDTYUOGGP-MDWZMJQESA-N	259.324	4.046	50	20	CIGD	
CC(C)C(=NNC(=O)c1ccc(C(C)(C)C)cc1)C1CC1	750923925	XPGBTHOPWFWOPY-UHFFFAOYSA-N	286.419	4.136	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)c(Cl)c1	781555363	HRNHAUHCDUGCRX-JYRVWZFOSA-N	289.762	4.015	50	20	CIGD	
Cc1cccc(NNC(=O)c2cc3cc(C)ccc3s2)c1	810044292	RLNGTCJVQPADTO-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CC[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1Cl	916661273	QDAQFGAPRAPXPO-SECBINFHSA-N	299.201	4.289	50	20	CIGD	
C[C@@H]1CCCCC1=NNC(=O)c1ccc2ccccc2c1	917547072	KXRAXEKQJRXVDO-CYBMUJFWSA-N	280.371	4.136	50	20	CIGD	
CC[C@@H](C)O[C@H](CBr)c1cccc(F)c1	50480072	OSUBHMHHPYDFBX-BXKDBHETSA-N	275.161	4.077	50	20	CIGD	
CCC[C@@H](C(=O)NNc1cccc(C)c1)c1ccccc1	72514011	GFACIUIJKXEHEU-QGZVFWFLSA-N	282.387	4.022	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)s1	125468463	RESDJXWGCUZDMV-HZAKCSEPSA-N	267.781	4.314	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1sccc1Br	184835749	WHFFOTDIVZNGNH-RMKNXTFCSA-N	298.205	4.033	50	20	CIGD	
C[C@](CCl)(CCOCc1ccccc1)C1CC1	307626752	HYDJKXYNQVTKEU-OAHLLOKOSA-N	252.785	4.248	50	20	CIGD	
BrCc1c(C2CCC2)n[nH]c1-c1ccccc1	409443395	MDHJRMPNMSKPOF-UHFFFAOYSA-N	291.192	4.239	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1F	759653613	SZZMFFLOVUAAQZ-MJWAUXSNSA-N	279.742	4.391	50	20	CIGD	
C=C(CBr)CN[C@@H](c1ccccc1)C(C)(C)C	791474299	YRXZTORVYSMNMU-AWEZNQCLSA-N	296.252	4.315	50	20	CIGD	
F[C@H]1CCC[C@@H](NCc2ccc(OCCCCl)cc2)C1	1332453290	VSGDCJVWWYZZCC-LSDHHAIUSA-N	299.817	4.065	50	20	CIGD	
CC[C@H]1CCC[C@H](C=NNC(=O)c2ccccc2Cl)C1	1342194504	GIZFZNBLIVBTPR-STQMWFEESA-N	292.810	4.272	50	20	CIGD	
Cc1ncccc1NC(=O)CCCC[C@@H]1CCSS1	73356963	LCUGLNBKRKWHMZ-GFCCVEGCSA-N	296.461	4.043	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cccc(Cl)c2C)c1	194792996	DIGAEFKMPPPWNW-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CC[C@](C)(CBr)COCc1ccccc1	230090546	ASULSWLUGOJCMC-CYBMUJFWSA-N	271.198	4.014	50	20	CIGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccccc1Cl	285796708	PNNDMZXVICHXOX-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CC[C@](C)(CBr)CCOCc1ccccc1	306492713	YEVRGGGJXPKMRG-AWEZNQCLSA-N	285.225	4.405	50	20	CIGD	
CC[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	727734247	LMYCKTDEDUHOSA-OLZOCXBDSA-N	287.494	4.102	50	20	CIGD	
CCc1ccc([C@@H](C)CC(=O)NNc2ccc(C)cc2)cc1	749194355	XQFRVNUOFRSTNO-HNNXBMFYSA-N	296.414	4.194	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	755407485	WOACSHBRUFTVBN-ISAHRAOESA-N	265.715	4.001	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1Cl	766286789	BHMHJUPLBFVQFM-DHDCSXOGSA-N	281.742	4.438	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	767712065	BICZXLMASTUZKE-VKRGWIQLSA-N	265.715	4.001	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776719788	AUZVFLHHGDVUHL-IUIMMGEKSA-N	279.742	4.391	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1nccc2ccccc12	794873742	GRAWDWKWMDJVAB-SDNWHVSQSA-N	278.355	4.147	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc(C(C)C)s1	794874756	OBSRPHUFFXAQNB-YRNVUSSQSA-N	276.405	4.179	50	20	CIGD	
CCCN(N=C(C)CCC(C)C)C(=O)OC(C)(C)C	794993154	RBFVNOASVKNNTG-UHFFFAOYSA-N	270.417	4.446	50	20	CIGD	
O=C(NN=C1CCCC12CCCC2)c1ccc(Cl)cc1	814688208	OPUGOIOWTLMBBO-UHFFFAOYSA-N	290.794	4.170	50	20	CIGD	
CC(C)c1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1	920381442	RMZAKABFVWUACV-UHFFFAOYSA-N	276.380	4.011	50	20	CIGD	
O=C(Nc1scnc1C1CC1)c1cccc(CCl)c1	1353631046	ONXGVYJTIWXFDZ-UHFFFAOYSA-N	292.791	4.012	50	20	CIGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	107826074	GZNUWNHNCSHWJE-PDGQHHTCSA-N	291.350	4.212	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2ncccc2c1	125532531	SSYJTPXICNTWNH-XDUBLRSXSA-N	278.355	4.147	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2F)cc1	154294962	RIASIHPPBJWNIG-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
Cc1cccc([C@@H](C)C(=O)NNc2c(C)cc(C)cc2C)c1	743761797	BHXIKUOFHPWPHI-MRXNPFEDSA-N	296.414	4.167	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CC2(C)CCCCC2)c1	753657037	SKKBNYAEPCXCKK-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CC(C)CCOC(=O)CCCC[C@H]1CCSS1	807389195	YDTKSEAFHQNOOM-LBPRGKRZSA-N	276.467	4.290	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C/c1csc2ccccc12	810217089	VYYVMEWVVPIPLH-JLHYYAGUSA-N	298.411	4.115	50	20	CIGD	
O=C(/C=C\c1ccc(OCCCCl)cc1)c1ccco1	811692452	FWWIWJVVJTUUSV-TWGQIWQCSA-N	290.746	4.183	50	20	CIGD	
N#C/C(=C/c1ccc(C#N)cc1)c1ccc2ccccc2n1	917146447	MRJADUYUZZESQX-BOPFTXTBSA-N	281.318	4.171	50	20	CIGD	
CC[C@@H](C)c1nnc(CCCC[C@H]2CCSS2)o1	1326495687	AIVFWYSRUDQYOV-MNOVXSKESA-N	286.466	4.450	50	20	CIGD	
CC(C)CCCO[C@H]1CCCC[C@H]1Br	50502963	NXVCKNSMCURLBB-NEPJUHHUSA-N	263.219	4.145	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)s1	177898822	SEFJGTNGXIXCRQ-NTEUORMPSA-N	297.379	4.163	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1ccsc1	178982154	AMXAWDMNTMWSBS-KPKJPENVSA-N	279.320	4.284	50	20	CIGD	
Cc1ccccc1NNC(=O)c1ccc(Cl)cc1Cl	192735876	XPWFZFCBNXVDBX-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccccc2)cc1C	211396062	RMYDHUNNLVZTHD-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
CCCCCC=NNC(=O)c1c(Cl)cccc1Cl	755696816	BRSXZKKDLUZOGO-UHFFFAOYSA-N	287.190	4.289	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2scnc2C2CC2)cc1	782350567	AJRWNDAWQBXQPX-ZSOIEALJSA-N	294.379	4.119	50	20	CIGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(Cl)c(OC)c1	793982390	QYRQADWOJBPLHQ-OAHLLOKOSA-N	298.814	4.008	50	20	CIGD	
CC(C)Cc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1	806557221	OWUVVJWDQMQVEQ-LICLKQGHSA-N	279.339	4.268	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)c1ccoc1	806557748	YYOIJAFDVAALKV-QPEQYQDCSA-N	285.730	4.340	50	20	CIGD	
C=CCCCCCC(C)=NNC(=O)c1cc(C)cs1	863156993	QNFWWXLLGHXPPW-UHFFFAOYSA-N	278.421	4.299	50	20	CIGD	
Cc1ccc(-c2nnc([C@@H](Br)C(C)(C)C)o2)o1	1325832784	LIIQMMXUJIAOCN-SECBINFHSA-N	299.168	4.120	50	20	CIGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccccc1Cl	158516455	FGJDVDNIEWSMIX-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	755407490	WOACSHBRUFTVBN-NJQKBMNKSA-N	265.715	4.001	50	20	CIGD	
C[C@@H]1CC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1	781089150	QMOPLMRKXXELMC-JHJVBQTASA-N	287.494	4.005	50	20	CIGD	
CCCN(N=C(C)c1cc(C)c(C)o1)C(=O)OC(C)(C)C	794995356	HJOOLVZNBXTBER-UHFFFAOYSA-N	294.395	4.268	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1scnc1C1CC1	1339300513	KAGMRAJMNDZKMG-JYRVWZFOSA-N	294.379	4.119	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1F	255320571	QLDKCFBSYLUFLQ-ZROIWOOFSA-N	282.274	4.107	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CC12CCCC2	748009798	UEBJWYIABAJWHY-SNVBAGLBSA-N	299.201	4.017	50	20	CIGD	
O=C(CC1=CCCCC1)NNc1cc(Cl)ccc1Cl	752812630	IITLBBNJOLJFKE-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1cccc(F)c1	772179503	QPNBJDIITNNGHD-YBEGLDIGSA-N	291.325	4.493	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccc(CC)cc1	807954549	VESTVFYYQVGWLR-CYBMUJFWSA-N	274.408	4.181	50	20	CIGD	
CN(N=Cc1ccc(C2CCC2)cc1)C(=O)OC(C)(C)C	814813274	MABYADGSFFVCRM-UHFFFAOYSA-N	288.391	4.155	50	20	CIGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)c2ccccc2Cl)C1	1342194503	GIZFZNBLIVBTPR-QWHCGFSZSA-N	292.810	4.272	50	20	CIGD	
FCCC1(c2ccccc2)CC(CBr)C1	1898223290	IEVOVUARCJYXGM-UHFFFAOYSA-N	271.173	4.089	50	20	CIGD	
Fc1ccc(C(OCCCl)c2ccc(F)cc2)cc1	34461073	FFEFFMLVFNFYPA-UHFFFAOYSA-N	282.717	4.310	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)ccc2C)s1	182060708	BIOGCZUOPDUFHT-NTUHNPAUSA-N	285.343	4.294	50	20	CIGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1	726120160	KPVZFYQGSMKMLF-VBKFSLOCSA-N	284.403	4.055	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC	794874579	MELQTBDKFSAXPW-WQLSENKSSA-N	291.778	4.261	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccccc1C1CC1	794875697	XNYCCVBUCKBLHO-PTNGSMBKSA-N	267.372	4.476	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(Cl)nc2Cl)n1	797406536	UKIWKJFFVGQVJM-RUDMXATFSA-N	296.182	4.218	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1ccc(F)cc1	212691445	VTNNZPCJZRESBO-HASPRUBHSA-N	277.298	4.172	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1	295906539	LVZJRNWDKQRSOQ-NTEUORMPSA-N	259.324	4.034	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)o1	767714074	OFXJBMGOKIOUED-UMFRXALVSA-N	283.371	4.459	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1ccsc1	771837344	HRXPBVCNUASKHM-YCRREMRBSA-N	279.773	4.253	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/C=C\c1ccc(F)c(F)c1	794689306	AGWGONLIQKUFGV-QENXGIAESA-N	275.298	4.043	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc2ccccc2c1	797343688	ZYKSCEQMTUEVQJ-AQTBWJFISA-N	292.382	4.053	50	20	CIGD	
CC(C)CCC(=NNC(=O)c1cccc(Cl)c1)C1CC1	802705770	RZGWJVJNELFWAU-UHFFFAOYSA-N	292.810	4.272	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2ccccn2)c2ccccc12	44013112	ILGOAWAQPYPTQS-QINSGFPZSA-N	286.334	4.308	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cnc(C(C)C)s2)n1	123431692	RVDXGYKGJNOJPI-WMZJFQQLSA-N	275.402	4.096	50	20	CIGD	
O=C(NN=C1CCCCCC1)c1c(Cl)cccc1Cl	727781575	QVCCPYGWCKCAIK-UHFFFAOYSA-N	299.201	4.433	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@H]1c1ccsc1	750791073	CWZIZYLRTLKKER-FWHZQNPKSA-N	280.396	4.450	50	20	CIGD	
O=C(CCl)c1c(-c2cccs2)[nH]c2ccccc12	19725145	MQKKCPPKILLXRY-UHFFFAOYSA-N	275.760	4.318	50	20	CIGD	
Clc1ccccc1CO[C@H]1CCC[C@@H]1Br	50502809	BWKXXHYRVKGWMV-JQWIXIFHSA-N	289.600	4.173	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	741469994	OJEWARJTOJACTE-BVTUPMQUSA-N	297.398	4.312	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2nc(Cl)cs2)n1	759084893	RUXLOKQMPRZPSF-FPYGCLRLSA-N	295.820	4.441	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(Cl)c1F	759645076	UBZQIRRHQFFAAJ-JXMROGBWSA-N	265.715	4.001	50	20	CIGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)[C@H](C)CC	767351668	HVTLMFBWLYUWSN-IZCBMXNHSA-N	285.387	4.388	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)s1	790228717	YKFVOTYRUGBFQJ-XFXZXTDPSA-N	291.379	4.318	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccccc2)s1	806564811	CONIIHBMDSDIKC-FMIVXFBMSA-N	285.393	4.260	50	20	CIGD	
Cn1cccc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	915862014	IECXTFLRTKLZKG-QINSGFPZSA-N	292.382	4.112	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)Nc2ccc(Cl)cc2)c1	915878300	XAGPZUZJBMPSDY-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(C)C	916353554	OXFWPKRYOAGPHE-LLVKDONJSA-N	292.448	4.025	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(Cl)cc2Cl)c1	72514458	LXZQYDPNESXKPU-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(C)c(C)s2)cc(C)c1O	125405003	HZKFYCHEJJDEMR-AUWJEWJLSA-N	284.384	4.147	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)C)c(OC(F)F)cc1C	254985854	DMXOLDKOFQXLHW-QPEQYQDCSA-N	293.313	4.037	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCCC2	792860751	XPZLALPKJQNZAC-LFIBNONCSA-N	267.372	4.088	50	20	CIGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cc2ccccc2o1	797401625	LZYSSBGNYMPHKE-OLZOCXBDSA-N	298.386	4.365	50	20	CIGD	
Cc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	916324976	XDACWRFAAXMQCH-UHFFFAOYSA-N	294.398	4.056	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(C)c2)cc1	1330802477	NKLYAYUZVSHMLY-PXNMLYILSA-N	297.379	4.015	50	20	CIGD	
CC(C)CO[C@]1(CBr)CCC[C@H](C)C1	50503531	LFZYHZFOCMQEFJ-NWDGAFQWSA-N	263.219	4.003	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(Cl)ccc1F	255469561	MUJHWPQMZPGJEQ-WDZFZDKYSA-N	265.715	4.001	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)C(C)(C)C	776188500	UIJCYERJCBDXIY-XYOKQWHBSA-N	275.779	4.479	50	20	CIGD	
N#C/C(=C\c1ccsc1)C(=O)c1ccc2ncccc2c1	794883426	AZDSCJZISQBSKU-OVCLIPMQSA-N	290.347	4.086	50	20	CIGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1ccc2ccccc2c1	814810378	JZVUPRWXPZYTCN-QGZVFWFLSA-N	292.382	4.136	50	20	CIGD	
CC(CCC(C)C)=NNC(=O)c1ccc2ccccc2c1	917547276	OEXAAIQDCONASJ-UHFFFAOYSA-N	282.387	4.382	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	255491088	MMEQUQRMBJEDEX-XYOKQWHBSA-N	281.277	4.228	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(F)c1	302691096	RWTSUBZTHMRJBA-ZDUSSCGKSA-N	299.436	4.478	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1F	731488666	OPDCEWGOFQWKGA-NTEUORMPSA-N	291.329	4.085	50	20	CIGD	
C=C(C)CCOC(=O)CCCC[C@H]1CCSS1	744303264	UBDAHOAZHANQCL-LBPRGKRZSA-N	274.451	4.210	50	20	CIGD	
CN(Cc1cc2ccccc2o1)/C(=C/C#N)c1ccccc1	750803010	VKCRGDXCBFPXBR-WOJGMQOQSA-N	288.350	4.429	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776719789	AUZVFLHHGDVUHL-STCRIKGOSA-N	279.742	4.391	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc3cnccc3c2)sc1C	782342983	TZJGMVVFYXHTNY-LZYBPNLTSA-N	291.379	4.372	50	20	CIGD	
CC(C)[C@H](C)N(C)C(=O)CCCC[C@H]1CCSS1	915079930	IZFGVRLMIYWPOC-STQMWFEESA-N	289.510	4.203	50	20	CIGD	
O=C(NN=C1CCCCC1)c1cc2c(s1)CCCCC2	7015564	JZSJPSJWFHROGD-UHFFFAOYSA-N	290.432	4.067	50	20	CIGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1ccsc1	58464983	ODCUOMYYYHEHDD-UQAUATQKSA-N	265.337	4.094	50	20	CIGD	
Cc1cc([C@@H](C)NC[C@@H](C)CBr)c(C)s1	152771848	ALZORHIEDAVTER-WCBMZHEXSA-N	290.270	4.047	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)cs1	588600938	VPEPVHFDONEJBS-RUDMXATFSA-N	277.732	4.093	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C)cc1C	726118853	RVFVINNQVNSBJX-MHWRWJLKSA-N	255.361	4.216	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	726428916	QINOOHXOZLLPTE-CAXXOGMASA-N	265.715	4.001	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	726594378	KEKXFFCXMOIFET-OLWAXZHHSA-N	286.419	4.283	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	773143223	BKJZBTDLXQSZSS-YRNVUSSQSA-N	289.693	4.170	50	20	CIGD	
C[C@H]1CC[C@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	800812118	VQTRGRCUQZKCMF-UWVGGRQHSA-N	299.201	4.145	50	20	CIGD	
CCCC1CCC(=NNC(=O)c2cccc(Cl)c2)CC1	5457213	SIYAZXDGYQQGGU-UHFFFAOYSA-N	292.810	4.416	50	20	CIGD	
BrCC1(OC2CCCC2)CCCCC1	50480433	UWAASQPJDBANEA-UHFFFAOYSA-N	261.203	4.043	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccccn2)c(Br)c1	178863248	HCWLARADTVNUIM-UKTHLTGXSA-N	299.171	4.217	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc2ccccc2n1C	588393590	GFVHRHQLIPDBRD-ZROIWOOFSA-N	291.329	4.085	50	20	CIGD	
CCC[C@H](CC1CCCC1)C(=O)NNc1ccccc1	747988282	BKOFMLSRFACHIO-OAHLLOKOSA-N	274.408	4.126	50	20	CIGD	
CCC1(C(=O)NNc2c(Cl)cccc2Cl)CCC1	763613041	UIHFNYQIQINSCO-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc3ccccc3c2)C[C@@H]1C	767371154	SWDOGAORNIWOSE-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)C2CCCC2)c1	781555151	DDIKHHSWMDPEDT-MHWRWJLKSA-N	283.371	4.140	50	20	CIGD	
CCCC(=NNC(=O)c1ccccc1C)C1CCCC1	834935615	UGYJBPVDAFBHBU-UHFFFAOYSA-N	272.392	4.071	50	20	CIGD	
CCOc1cncc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	856720866	UTRIVEAZDUJVDI-ACAGNQJTSA-N	299.399	4.124	50	20	CIGD	
CC(C)O[C@@]1(CBr)[C@H]2CC[C@@H](C2)C1(C)C	158024093	ZYVHWGOVICWIMO-GVXVVHGQSA-N	275.230	4.001	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(OC(F)F)c1	255283106	QKQUIFULJFTAQA-JYVXZMADSA-N	293.313	4.200	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)CC(C)C)cc1C	726120004	HSZNZRMUPGIGJX-SXGWCWSVSA-N	255.361	4.134	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	741473422	IJQSEKPJQQAPIN-YDRQLGOLSA-N	297.398	4.312	50	20	CIGD	
CCCCCCCCC(=O)NNc1cccc(F)c1	748090472	XJMKOZCTOAWQJU-UHFFFAOYSA-N	266.360	4.019	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2s1	758418867	SCIFHNCHDHCUTA-NASPGAHYSA-N	269.369	4.423	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	759035404	PCQUGBYEHSNDBS-NASPGAHYSA-N	267.328	4.263	50	20	CIGD	
CCC(C)(C)C(=O)NNc1c(Cl)cc(F)cc1Cl	768010251	YXDGBCNNPILJAH-UHFFFAOYSA-N	293.169	4.012	50	20	CIGD	
O=C(C[C@@H]1C=CCCC1)NNc1c(Cl)cccc1Cl	778989966	IBGPWWQCCFLPBO-SNVBAGLBSA-N	299.201	4.183	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cnc(-c3ccco3)s2)n1	789129423	DYDUKDJBVDRBNJ-BJMVGYQFSA-N	299.380	4.232	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1	806398313	DWNHQPUERNVVAX-USXIJHARSA-N	286.419	4.045	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C)c2)cc1	59269539	OIDVPWXMJZFNJC-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
BrCc1c(C2CCC2)n[nH]c1C1CCCC1	409444037	ZDWANZXCCOWHMV-UHFFFAOYSA-N	283.213	4.230	50	20	CIGD	
O=C(NNc1ccccc1Cl)c1ccc(C(F)F)cc1	748319014	WIFAFQYNJYECRI-UHFFFAOYSA-N	296.704	4.035	50	20	CIGD	
N#C/C(=C/c1cc(C#N)cs1)c1ccc2ccccc2n1	748440094	GMRURXVMWOCASF-ZSOIEALJSA-N	287.347	4.232	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)C1CCCC1	781554277	KUJAFCFGWTUCJJ-UVTDQMKNSA-N	265.312	4.099	50	20	CIGD	
Cc1cccc(NNC(=O)c2csc3cc(C)ccc23)c1	794922109	CXKFAYGTIPMQGG-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
Cc1ccoc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398544	IHIJYKGQEGAEHT-XFFZJAGNSA-N	272.373	4.406	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(CCl)c1	799893116	QWXAXGLEPGHPSN-ZROIWOOFSA-N	275.779	4.338	50	20	CIGD	
CCN(CCO[Si](C)(C)C(C)(C)C)CCC(F)(F)F	808718564	NWXIGPDVCAIEFM-UHFFFAOYSA-N	299.453	4.283	50	20	CIGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)C(C)(C)C	814187318	GMHYNNUVMWXARA-RLGXRJJKSA-N	297.398	4.301	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccnc2ccccc12	905075205	SXRNCNBXWSSUQW-JMRXEAOASA-N	278.355	4.147	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1ccccc1F	1252221318	AACDZBDDXQUJCS-LFIBNONCSA-N	291.325	4.104	50	20	CIGD	
Cc1cc(Oc2ccccc2)ccc1NC=C(C#N)C#N	731494317	UUCZLBFBOKHKBL-UHFFFAOYSA-N	275.311	4.130	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)cc1Cl	741469767	MTJJBWRHMFPJBA-JYVXZMADSA-N	291.778	4.261	50	20	CIGD	
O=C(CCC1CCC1)NNc1ccc(Cl)cc1Cl	748018756	JOVIPWFKCLINHZ-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
C/C(=C/C(=O)NNc1cccc2c1CCCC2)C(C)(C)C	748574262	WYGZFUJLJJLTEE-SEYXRHQNSA-N	286.419	4.001	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ncccc1C(F)(F)F	765502398	JDHNJYYMRPTIPA-YFHOEESVSA-N	296.292	4.013	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1	777920295	MPMYXNGLUQZEIL-OVCLIPMQSA-N	296.301	4.415	50	20	CIGD	
CC/C(C)=C(\C)C(=O)NNc1cc(Cl)cc(Cl)c1	791733845	XNHHKBUNRWOXHO-CMDGGOBGSA-N	287.190	4.183	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc(Cl)nc1	799891963	KERSCOVSGHLDNM-XQRVVYSFSA-N	292.165	4.370	50	20	CIGD	
CCCN(N=C(CC)[C@@H]1C[C@H]1C)C(=O)OC(C)(C)C	841636493	LRSGYVZAFHXKDW-VXGBXAGGSA-N	268.401	4.056	50	20	CIGD	
CC1(C)CCc2cc(/C=C(\C#N)c3ccccn3)ccc2O1	920241153	NCOWUMLBVOUTGW-FOWTUZBSSA-N	290.366	4.249	50	20	CIGD	
O=C(NN=C1CCCCCCC1)c1ccc2ccccc2n1	6566191	MCLPNCCILCKIFE-UHFFFAOYSA-N	295.386	4.065	50	20	CIGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	141606174	IYBXUCYEMNCWOH-FOWTUZBSSA-N	295.382	4.001	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	255102591	ALGXUGYWVIYLLW-UVTDQMKNSA-N	265.312	4.079	50	20	CIGD	
CC(=NNC(=O)OC(C)(C)C)C(C)(C)c1ccc(F)cc1	734977351	OOUMDOMHTPZPGD-UHFFFAOYSA-N	294.370	4.004	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1	741470003	OOVBUXIMNPONFJ-GVIGZQTCSA-N	297.354	4.354	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(C)c1C	741475260	WVCZHVYETKGRGK-ATTDUZETSA-N	255.361	4.216	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2C)cc1	764890805	BWYZOUUHJBTYSD-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(C(C)C)cc2)c(C)c1	837058198	LIOAWQJRCZAXQI-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
CCc1cccc2cc(/C=C(\C#N)C(=O)C(C)(C)F)oc12	849178217	CKHKXBFEHWXBIS-UKTHLTGXSA-N	285.318	4.219	50	20	CIGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)c1ccco1	8200735	BYRIBPJQQHOEBJ-LFIBNONCSA-N	273.291	4.223	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccs2)c1C	255509472	CMKHLNKEXPOAKI-UKTHLTGXSA-N	267.353	4.155	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Cl)s1	255628308	SYXQYQDWSLFKRG-TWGQIWQCSA-N	277.732	4.093	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)OC1CCCCC1	794685186	DPKFAQLINKHHRL-PTNGSMBKSA-N	295.338	4.216	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1	794874290	KJNOYLJIBPYODZ-RAXLEYEMSA-N	297.354	4.354	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccoc2)ccc1Cl	806556756	FZDUVRIZJZNMLF-QPEQYQDCSA-N	271.703	4.031	50	20	CIGD	
CSCCCCC(=O)NNc1c(C)cccc1C(C)C	812766974	PULNVRIGTMAUKD-UHFFFAOYSA-N	294.464	4.095	50	20	CIGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1	834446621	CABPZTITPKRAJF-SDNWHVSQSA-N	289.350	4.090	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1cc2ccccc2o1	834965379	ZSVQUOPGORQNLO-UHFFFAOYSA-N	284.359	4.285	50	20	CIGD	
FS(F)(F)(F)(F)c1cccc(C=NN2CCC2)c1	905491396	FWGMOVXEIVCICA-UHFFFAOYSA-N	286.269	4.384	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1	57405842	PALFIGOBIQPRKZ-BOPFTXTBSA-N	291.350	4.047	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1cccc(C)c1C	727654494	GRBCTFBRZIBJRA-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758061671	BKUFYXBRNGKIMK-ZRLNOHPQSA-N	289.325	4.433	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2cccc3ccccc23)[C@@H](C)C1	783850624	UZKLVPHHRUFDMH-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
N#CC(C#N)=CN[C@@H](c1ccc(Cl)cc1)c1ccsc1	49020999	LEEFYGSGJLDLCW-HNNXBMFYSA-N	299.786	4.012	50	20	CIGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)c1cc2ccccc2o1	54841759	LPAUNMRPKATUOM-CXUHLZMHSA-N	298.301	4.094	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1csc2ccccc12	193343988	GKPQWZNTMPQHGK-YRNVUSSQSA-N	255.342	4.033	50	20	CIGD	
O=C(NN=C1CCCCCCC1)c1cccc2ncccc12	730147097	OGRLRUDVEIARDR-UHFFFAOYSA-N	295.386	4.065	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC	741469742	MLAONWRATRHGGI-LFTLCWSBSA-N	291.778	4.261	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cc2c(s1)CCC2	748244390	MNBVJSKMNVJDDF-LLVKDONJSA-N	292.448	4.169	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1cccc(F)c1	773169437	CQZJYGNHSGYDKB-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
Cc1cc(NNC(=O)c2ccoc2C(C)C)ccc1Cl	928340324	WSGFAHQFMHPMFI-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
C[C@@H](Br)C1CCC(C(F)(F)F)CC1	85664781	QOVZDKRYRBUUSO-JECWYVHBSA-N	259.109	4.139	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC2(CCC2)C1	158850997	ZJABKNLKEVDQHZ-CYBMUJFWSA-N	299.505	4.103	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2sccc2Cl)n1	588600986	ZFKJHTSGPSMYJZ-YWEYNIOJSA-N	266.778	4.231	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)s1	731159466	ROZDAHHIQGLPEJ-FLIBITNWSA-N	287.409	4.470	50	20	CIGD	
Cc1ccccc1[C@H]1CCCN1C[C@H](C)CBr	770648009	NTCUDWKLMLEUOA-IUODEOHRSA-N	296.252	4.163	50	20	CIGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)C(=O)O	37417775	YLLYZKHOVFLZKX-VQHVLOKHSA-N	289.743	4.060	50	20	CIGD	
CCCCCC[C@H](C)CC(=O)NNc1ccc(OC)cc1	746883593	WRQWIVGICTZIDI-AWEZNQCLSA-N	292.423	4.135	50	20	CIGD	
CC(C(=O)NNc1c(Cl)cccc1Cl)=C1CCCC1	763613310	VJEZRWFQLUOIRV-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
CC(C)(C)CCC(=O)NNc1c(Cl)cccc1Cl	763617807	RQMQMVRCQKWGMU-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)C(C)C	776189588	IHLYKSBIKZHCLH-GHXNOFRVSA-N	261.752	4.089	50	20	CIGD	
C[C@H](c1ccncc1)N(C)CCO[Si](C)(C)C(C)(C)C	788021436	PHGNTRMOWYTGAN-CQSZACIVSA-N	294.515	4.096	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1ccccc1F	794686184	LNJUISVQFRKBNC-GXDHUFHOSA-N	291.281	4.362	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c1	812243039	ZWKXWFWPSFIKAD-GDNBJRDFSA-N	293.326	4.006	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)NN=C2CC[C@H]2C2CCC2)cc1	814742430	PGWJQWUDVTZJKR-INIZCTEOSA-N	298.430	4.280	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863184996	SFRHDYHEDWFGIO-NDVARNPJSA-N	287.306	4.289	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)OC2CCCCC2)c1	14178769	SWUXMMWTONNBNU-LFIBNONCSA-N	283.371	4.086	50	20	CIGD	
Clc1ccccc1CO[C@@H]1CCC[C@@H]1Br	50502807	BWKXXHYRVKGWMV-CMPLNLGQSA-N	289.600	4.173	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc3c2OC(C)(C)C3)n1	172517532	FOAWWIDKLOBKIN-VGOFMYFVSA-N	296.395	4.229	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cc(C(C)C)oc2C)c1	285675305	FMXHWIWUIHWRLB-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
CC(C)(C)Sc1ccc(NC=C(C#N)C#N)cc1F	840725745	JBTYHRVCVULMMI-UHFFFAOYSA-N	275.352	4.059	50	20	CIGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)c1ccccn1	58452759	BBORHVVGNWZAIL-FMIVXFBMSA-N	290.244	4.044	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	172000490	HGVVDNZMEHCTMU-IZZDOVSWSA-N	299.267	4.367	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)c(C)c1	191358097	WIDWWISTZHPSSD-MHWRWJLKSA-N	285.350	4.311	50	20	CIGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)c2ccsc2)c1	194858275	QVSCJJSOPNRIOX-OVCLIPMQSA-N	297.379	4.325	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)c1nc2ccccc2[nH]1	588600902	NFHIFEFIADZBDT-CLFYSBASSA-N	285.759	4.342	50	20	CIGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(Cl)c1	735270914	YYOQORPPAAMCAT-LBPRGKRZSA-N	282.815	4.390	50	20	CIGD	
N#C/C(=C/c1ccc(C#N)s1)c1ccc2ccccc2n1	748999467	YLABCCFSZOHBTR-LCYFTJDESA-N	287.347	4.232	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1	794955162	VOEDNLHKVFKBFR-AVJLEEFCSA-N	271.335	4.294	50	20	CIGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1ccc2ccccc2c1	814810377	JZVUPRWXPZYTCN-KRWDZBQOSA-N	292.382	4.136	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCC[C@@H]2C[C@H]12	838265742	WRYDTMHCWJROFO-MQYQWHSLSA-N	299.505	4.005	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc2ccncc2s1	849244394	AEJJMEBMJFWAPV-KAQJVSAMSA-N	284.384	4.209	50	20	CIGD	
Cc1ccc(NNC(=O)c2cccc(C3CCC3)c2)cc1F	856227804	KIRPBPIMRMASOW-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)CC(C)(C)C)c1	918712956	DZDHCZXOOCUOQJ-DHDCSXOGSA-N	255.361	4.216	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2C)cc1	6410584	JSHDEQUQCGLHSY-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CC(C)C[C@H]1CCCC(=NNC(=O)c2ccccc2F)C1	794455339	FLJZRQFUZQINTO-CYBMUJFWSA-N	290.382	4.148	50	20	CIGD	
Cc1ccncc1[C@@H](C)NCCO[Si](C)(C)C(C)(C)C	808746124	KKAHEVSUPCZGJI-CQSZACIVSA-N	294.515	4.062	50	20	CIGD	
C[C@@]1(NC(=O)CCCC[C@H]2CCSS2)CC=CCC1	838315125	DKUFNSZUWRRMET-DZGCQCFKSA-N	299.505	4.316	50	20	CIGD	
CC(C)(C)O[C@H](CBr)c1ccccc1F	50479948	WPAYNGIKLZVSPY-LLVKDONJSA-N	275.161	4.077	50	20	CIGD	
CCCCCO[C@H](CBr)c1ccc(F)cc1	50481633	QTKYSDRRZYLSIB-CYBMUJFWSA-N	289.188	4.469	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2ccccc2c1	120383072	YLPNKYMWMFVZAM-UHFFFAOYSA-N	296.757	4.250	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	150043450	TZXGAHHRSCZBBD-XYOKQWHBSA-N	281.277	4.228	50	20	CIGD	
Br[C@H]1CCCCCC[C@H]1OC1CCC1	158376685	DGAPYEUKWLUPQW-NWDGAFQWSA-N	261.203	4.042	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)Nc1ccccc1	490701235	WPMRIVMWXSMUBA-UVTDQMKNSA-N	298.292	4.170	50	20	CIGD	
C[C@@H]1CCC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	729447086	BDHKIAXRMHWIJI-JHJVBQTASA-N	287.494	4.005	50	20	CIGD	
CCS[C@@H]1CCCCN(/C(=C\C#N)c2ccccc2)C1	750609831	PVHOQYYUNHUCDQ-FEEIMYBTSA-N	286.444	4.159	50	20	CIGD	
C[C@H](CC(=O)NNc1ccc2ccccc2n1)CC(C)(C)C	777467137	WGSZKQGNWCMURS-CYBMUJFWSA-N	299.418	4.140	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1F	779799817	VEXJAZGSVCYYLL-WUXMJOGZSA-N	288.347	4.054	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccsc1Cl	794873698	GAJRZDMZYBTASS-JXMROGBWSA-N	267.781	4.314	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(F)cc(F)c1	1320174800	BYEZZUSDBBUTTR-AWNIVKPZSA-N	283.277	4.063	50	20	CIGD	
O=C(NN=C1CCCCCCC1)c1cc2c(s1)CCC2	8340981	CEWCHCFYCZWMNS-UHFFFAOYSA-N	290.432	4.067	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1ccccc1F	14180689	XFJOMGVKJIBRQD-VQHVLOKHSA-N	291.734	4.330	50	20	CIGD	
FC(F)(F)c1cccc(SCCBr)c1	36818789	OCUZTEYAGKUCAB-UHFFFAOYSA-N	285.128	4.192	50	20	CIGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1	215998495	ZTVKMCWHPIOOCS-UVTDQMKNSA-N	296.757	4.194	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	254973020	ZFGNUBJCRSPNLD-BOPFTXTBSA-N	290.366	4.271	50	20	CIGD	
CCCN(N=C(CC)[C@H]1C[C@@H]1C)C(=O)OC(C)(C)C	841636491	LRSGYVZAFHXKDW-RYUDHWBXSA-N	268.401	4.056	50	20	CIGD	
C[C@H]1CC(F)(F)CCN1CCO[Si](C)(C)C(C)(C)C	859839103	VJEKNRXDIHMWNE-LBPRGKRZSA-N	293.474	4.128	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccnc2ccccc12	905072927	PLAZSNFFABTNKE-PTNGSMBKSA-N	278.355	4.147	50	20	CIGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2ccccc2Cl)C1	1321067369	NTDVCVIRVIVIMD-LBPRGKRZSA-N	292.810	4.272	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1cccc(F)c1	194530933	ZDFFDILEZDPZJX-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@H]1c1cccc(F)c1	750803355	YROWEOMOIVEAAO-ZKLMEHKCSA-N	296.320	4.276	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccsc1Cl	790100923	ULGCDSXCFRLKDY-POHAHGRESA-N	277.732	4.093	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c(C)o1	809145817	GRLMUHXEPRVDTC-RQZCQDPDSA-N	279.339	4.303	50	20	CIGD	
Cc1sccc1/C=C(\C#N)c1nc(C2CC2)cs1	843263617	CKKWANDWEKMJNE-WUXMJOGZSA-N	272.398	4.455	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)c1ccc2ccccc2c1	30611180	CWBXGYLVDBOXQR-UHFFFAOYSA-N	296.757	4.250	50	20	CIGD	
CC[C@H](Br)c1ccc(Br)cc1	57368724	KJYYIARXZUOWNK-VIFPVBQESA-N	277.987	4.295	50	20	CIGD	
O=C(NNc1ccccc1)c1sccc1-c1ccccc1	70716243	KRWBIVHOFMMKBT-UHFFFAOYSA-N	294.379	4.172	50	20	CIGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)C(CC)CC)cc1	101799945	DGSJSVMYRWOXRV-LGMDPLHJSA-N	295.382	4.001	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2nccc3ccccc23)sc1C	741467769	QJKUVCNDYAOYRE-NTEUORMPSA-N	291.379	4.372	50	20	CIGD	
CC/C(C)=C(/C)C(=O)NNc1c(C)cccc1C(C)C	794927596	FWTZKIUTYDRACB-OWBHPGMISA-N	274.408	4.308	50	20	CIGD	
O=C(NN=C1CCC12CCC2)c1ccc(Cl)cc1Cl	799871698	DDDUSPBFIUSHDD-UHFFFAOYSA-N	297.185	4.043	50	20	CIGD	
FC(F)c1cc(Br)cc(CCl)c1	1898225892	YAPTVODTPHJQMD-UHFFFAOYSA-N	255.489	4.126	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1	727655608	YVWULTLRZCAJFD-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccccc1C	731924584	GCSWNOQJDCYMEQ-UHFFFAOYSA-N	286.419	4.461	50	20	CIGD	
C[C@H]1CC(=NNC(=O)c2cccc3ccccc23)C[C@H](C)C1	747764066	LOXFYRGLVUNKEI-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1Cl)C1CCCCC1	748013011	ZHVBHGSEDWZHSX-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
N#CC1=CCN(Cc2ccc(-c3cccs3)cc2)CC1	769771391	SVDNNFYYGGBHLI-UHFFFAOYSA-N	280.396	4.071	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774557163	BAYBZQRNXUMASO-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1ccc(F)cc1	790100989	VHQQLVKLQHFNGK-YRNVUSSQSA-N	291.734	4.330	50	20	CIGD	
CCCOc1cccc(/C=C(/C#N)C(=O)c2ccoc2C)c1	77181690	FDRZMYGLOCETQH-GDNBJRDFSA-N	295.338	4.167	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)c1cnc2ccccc2n1	191352822	VQVQYOLPQQGNEX-UKTHLTGXSA-N	297.317	4.440	50	20	CIGD	
CCc1cccc2c(/C=C(/C#N)C(=O)[C@@H](C)CC)c[nH]c12	726429283	HWGQCBTUTLJILW-CJAAZZPWSA-N	280.371	4.252	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)cc3)[nH]c12	735619399	MJQQVVYRAXPPJW-UKTHLTGXSA-N	277.302	4.075	50	20	CIGD	
CC[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	758372408	NHNVZFOOAXQIEM-ZDUSSCGKSA-N	280.371	4.136	50	20	CIGD	
N#CC(C#N)=CNc1ccccc1Oc1cc(F)cc(F)c1	759117737	YCHXMWNDJDSBLI-UHFFFAOYSA-N	297.264	4.100	50	20	CIGD	
CCCCC[C@@](C)(CC)C(=O)NNc1cc(Cl)ccn1	780999073	PBDXKWXZDZICOT-OAHLLOKOSA-N	297.830	4.175	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812247893	AECYVPVBLWRKFD-MDWZMJQESA-N	288.272	4.473	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)c(F)c1F	853003496	MNMVZFNHBDQLEY-XFFZJAGNSA-N	281.277	4.016	50	20	CIGD	
N#C/C(=C\c1ccccc1Cl)C(=O)OC1CCCCC1	14178704	YPGDYFMTNWNHOY-JLHYYAGUSA-N	289.762	4.123	50	20	CIGD	
Cc1ccc(CN(C)/C(=C/C#N)c2ccccc2)s1	175426176	UWMJBUQDJJYHLC-MHWRWJLKSA-N	268.385	4.053	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)o1	177635087	KPYLYIDFFPOGFW-GXDHUFHOSA-N	294.354	4.005	50	20	CIGD	
F[C@@H](CBr)Cc1ccc2ccccc2c1	585142316	XDYHQOYRHXCAQY-CYBMUJFWSA-N	267.141	4.115	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1F	729150897	PSRRFGXVWLMGRJ-MDWZMJQESA-N	259.324	4.046	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2s1	758418866	SCIFHNCHDHCUTA-KWJWQAOWSA-N	269.369	4.423	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	772797925	REQCANZJXWKXMI-VMDVGJCFSA-N	299.267	4.367	50	20	CIGD	
COc1ccccc1/C=C(/C#N)C(=O)c1ccc(C)c(C)c1	809145829	GXHRPKPDHGFJGI-BOPFTXTBSA-N	291.350	4.102	50	20	CIGD	
N#C/C(=C/c1cccc(F)c1)c1cc(C(F)(F)F)ccn1	812248866	SSICWVVVVYCUER-WDZFZDKYSA-N	292.235	4.304	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843263317	BRBDFHPRNRSASG-RIYZIHGNSA-N	266.369	4.393	50	20	CIGD	
CCCC(C)(C)C(=O)NNc1ccc(C(C)C)cc1	846249194	MTZCULDOTLHJAO-UHFFFAOYSA-N	262.397	4.079	50	20	CIGD	
CCOc1cncc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	856720867	UTRIVEAZDUJVDI-WLRTZDKTSA-N	299.399	4.124	50	20	CIGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1ccccc1	916136871	ALMPOVAUFHQBJS-ATVHPVEESA-N	284.318	4.025	50	20	CIGD	
CCC(CC)(CBr)COCc1ccccc1	83164024	BPEYKFNIARRBER-UHFFFAOYSA-N	285.225	4.405	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC	726119461	ZCJMCKVLBMNZLV-MDWZMJQESA-N	291.778	4.261	50	20	CIGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1c[nH]c2ccccc12	727250372	MRBHFGNWMFSSLF-CYBMUJFWSA-N	297.402	4.244	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1ncccc1Cl	740927936	XOBXXPPTSZESIW-GFCCVEGCSA-N	297.830	4.175	50	20	CIGD	
Cc1ccccc1C(=O)NN=CCc1ccc(C(C)C)cc1	760251157	VNYAQTOKMXXFLE-UHFFFAOYSA-N	294.398	4.077	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)/C=C\c2ccccc2)cc1	781040564	FHMTWMXYERXMFZ-ZROIWOOFSA-N	294.398	4.141	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1	807943960	OQYURLDJVXRKRW-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)C(C)(C)C	915841317	ARUIJZJPJNGULQ-FVIOEUFFSA-N	253.345	4.155	50	20	CIGD	
Cc1cccc(NC(=O)NNc2c(C)cc(C)cc2C)c1	916645506	FPTSWSUUJSIKKG-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1	6517510	VQRQKNXCPIUQAY-NTCAYCPXSA-N	284.403	4.055	50	20	CIGD	
C[C@](CBr)(COCc1ccccc1)C1CC1	230090887	VGCXXEVBKBLJOE-AWEZNQCLSA-N	283.209	4.014	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc2ccccc2n1C	750896234	OSUNCBVCUWDMBF-GXDHUFHOSA-N	291.329	4.085	50	20	CIGD	
CCCN(N=C[C@H]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C	794996118	QZVWEMGXKDLAIJ-KGLIPLIRSA-N	282.428	4.446	50	20	CIGD	
CCc1cccc2cc(/C=C(\C#N)C(=O)C(C)C)oc12	849178662	IVQOBVRZQFWGDX-NTEUORMPSA-N	267.328	4.127	50	20	CIGD	
CCCCC1CCC(C(=O)NNc2ccc(C)cc2)CC1	912594562	SONIHMTWOIXQJF-UHFFFAOYSA-N	288.435	4.435	50	20	CIGD	
CCC[C@@H](NC(=O)CCl)c1ccc(Cl)c(Cl)c1	1320466797	QBQBGUCGYNBSQP-LLVKDONJSA-N	294.609	4.190	50	20	CIGD	
ClCc1cc2ccc(Br)cc2s1	201376860	ZWINTWJBIYBUPP-UHFFFAOYSA-N	261.571	4.403	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	726428645	BXTFVAPHDQHQKI-IZCBMXNHSA-N	284.403	4.055	50	20	CIGD	
CCCCCC[C@@H](C)CC(=O)NNc1ccc(F)cc1	727676569	FEVUGUHMVLJTMV-CYBMUJFWSA-N	280.387	4.265	50	20	CIGD	
CC[C@@H](C)C(=O)NN=Cc1cccc(-c2ccccc2C)c1	729637794	VELLOXKUGCKCCU-CQSZACIVSA-N	294.398	4.158	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)s1	731157150	SNJMQOYFTJWZIX-DHZHZOJOSA-N	271.341	4.002	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@H]1c1ccccc1	747619557	NTICMMSALWQGLT-BHEJFATLSA-N	278.330	4.137	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(Cl)nc2)c1C	748998132	NTGJOBHDUVPMBZ-ZSOIEALJSA-N	296.757	4.142	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@H]1c1cccc(F)c1	750803353	YROWEOMOIVEAAO-SMHZUEHJSA-N	296.320	4.276	50	20	CIGD	
N#C/C(=C\c1nc(Cl)cs1)c1ccc2ccccc2n1	759075109	DWYUSDTUZIRIKZ-YRNVUSSQSA-N	297.770	4.409	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	767712062	BICZXLMASTUZKE-NJQKBMNKSA-N	265.715	4.001	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)C)cc2cccnc12	783696220	KXKIQNNKYLLPSA-GDNBJRDFSA-N	278.355	4.065	50	20	CIGD	
C=CCC[C@H](NCC(=C)CBr)c1ccccc1	791492125	GLFSXBFYYMNVEV-HNNXBMFYSA-N	294.236	4.235	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccccc2)c1	921261612	IZJNXBHCJAFWQC-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1sccc1C	44028442	RZORJSAPOFXZIS-XFFZJAGNSA-N	273.382	4.216	50	20	CIGD	
C[C@H](NC=C(C#N)C#N)c1ccccc1Oc1ccccc1	158520331	LOHFEYINSYVHCL-AWEZNQCLSA-N	289.338	4.061	50	20	CIGD	
CCCN(N=C1CCC[C@@H]1CCF)C(=O)OC(C)(C)C	497211043	QWPNOIWPBGDFJW-GFCCVEGCSA-N	286.391	4.149	50	20	CIGD	
CCCCCC(=O)NNc1ccc(Cl)cc1Cl	748017739	OXMASZXDSRTPPQ-UHFFFAOYSA-N	275.179	4.017	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)c1ccc([N+](=O)[O-])cc1	771844219	GVDRYGPFNVJPLV-BJMVGYQFSA-N	290.731	4.374	50	20	CIGD	
O=C(CC1CCCCCC1)NNc1ccc2ccccc2n1	777467547	BKDCRWAAEUWKKO-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cccc(Cl)c1	915944987	OSOPZNACYBBMHZ-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
Cc1nc(-c2ccc(Br)cc2)oc1CCl	238532220	JQQITPWTBCSGLT-UHFFFAOYSA-N	286.556	4.151	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)C(CC)CC)cc1	726118848	RQHKWZCUAVTVCF-WJDWOHSUSA-N	255.361	4.161	50	20	CIGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)c2ccccc2)cc1	741836808	FOKIIIXZVPLZSD-KRWDZBQOSA-N	292.382	4.049	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1	767735350	BUSOURUTAVMMDG-PTNGSMBKSA-N	285.412	4.465	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c(C)o1	809145816	GRLMUHXEPRVDTC-MFOYZWKCSA-N	279.339	4.303	50	20	CIGD	
CC(C)CCC(=NNC(=O)c1ccccc1Cl)C1CC1	1327190541	JTYOAASANJKVJG-UHFFFAOYSA-N	292.810	4.272	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C	171790932	MKZSKJQTDLKWJC-XNTDXEJSSA-N	273.339	4.244	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2C)c1	213090140	WOLRJPMKYXWKFG-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)nc1	247951137	YLORSFJEHSUUQI-GFCCVEGCSA-N	296.461	4.043	50	20	CIGD	
CC(CSC(C)(C)C)=NNC(=O)Nc1ccccc1C	729637763	TZTBMFAMERMWLA-UHFFFAOYSA-N	293.436	4.024	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	731564390	CRHKPCFFYDDHRX-KWWJGWKXSA-N	297.398	4.312	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C)c(Cl)c1	766290896	UNMKEWDMIDWYPX-SRMXYGTFSA-N	261.752	4.171	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1cccc(F)c1	772178022	DWXXWQBRVIFKEM-IZZDOVSWSA-N	291.734	4.330	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)c2ccoc2C)c1	773910717	ZMOGQAVQPXBNNY-WJDWOHSUSA-N	279.339	4.330	50	20	CIGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(Cl)cc1Cl	780661136	HEGIXYRZPIZOFO-BDAKNGLRSA-N	289.206	4.119	50	20	CIGD	
Cc1noc(C)c1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797407469	UVOTUDHCJUBKNG-IZZDOVSWSA-N	287.388	4.110	50	20	CIGD	
Cc1cc(F)c(/C=C(\C#N)C(=O)C(C)(C)F)c(Cl)c1	840719664	KJMXJSOOFOQBLW-RMKNXTFCSA-N	283.705	4.012	50	20	CIGD	
CC[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	916353452	NOAYPXMOTQACCR-QWRGUYRKSA-N	292.448	4.025	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917146458	NBYFXOJCPODNBT-VBKFSLOCSA-N	286.334	4.308	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1	44028342	HRZVJLSVIWEDKI-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccccc1OC(F)F	101800241	ZUUODJUKLFVMSH-LCYFTJDESA-N	293.313	4.200	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1	255329664	VNQZZSACCCUQGO-KAQJVSAMSA-N	291.778	4.261	50	20	CIGD	
CC(=NNC(=O)C(C)(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1	788424513	HOBGUCVWVRTJNV-VHSXEESVSA-N	298.839	4.043	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1F	812765212	ZTXDLUTUJCVZJR-UHFFFAOYSA-N	286.350	4.014	50	20	CIGD	
CC(C)CCC=NNC(=O)c1ccc(Cl)cc1Cl	814761804	DFQNYJRLEUBLOB-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)C(C)(C)C	834942236	XUYFZPNSVWWFQQ-UHFFFAOYSA-N	294.398	4.158	50	20	CIGD	
Cc1cc(C)cc(C(=O)NNc2ccc(C(C)C)cc2)c1	837058797	VDYGPTAICJDCLT-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
CCCCCCCCC(=O)NNc1ccc(C)cc1	888397734	JYCQDEAULMBVIG-UHFFFAOYSA-N	262.397	4.189	50	20	CIGD	
C[C@@H](c1ccccc1F)N(C)C(=O)C1CCC(Cl)CC1	1518876380	XZNKUNKURBJOHK-HIFPTAJRSA-N	297.801	4.143	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1ccccc1F	779797430	GVOGPKCJWQBVDQ-CLFYSBASSA-N	291.734	4.330	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2ccc3ccccc3c2)C1	783831711	BDGICUUTQFKKNY-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
CC(=NNC(=O)CC(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1	788418909	CANUGVDNZYIJQX-WDEREUQCSA-N	298.839	4.043	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	790599827	FDZQDMKITFUNHH-SERMCNLOSA-N	290.432	4.353	50	20	CIGD	
CCCN(N=CCCC(C)C)C(=O)OC(C)(C)C	814927481	QAODRCNGHNFRPC-UHFFFAOYSA-N	256.390	4.056	50	20	CIGD	
CC(C)c1ccc(NNC(=O)CC(C)(C)C2CC2)cc1	837054348	XQROSOIJSNOTLO-UHFFFAOYSA-N	274.408	4.079	50	20	CIGD	
O=C(CCl)N[C@@H](CC1CCCCC1)c1ccccc1	1253963049	JUGUEGIYYONKJI-HNNXBMFYSA-N	279.811	4.053	50	20	CIGD	
N#C/C(=C\c1ccccc1)C(=O)c1c[nH]c2cc(F)ccc12	40139940	YYJYICKEOMDJOW-MDWZMJQESA-N	290.297	4.097	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CCCSC(C)(C)C)c1	161120841	NXKNURMYKOGSFD-UHFFFAOYSA-N	294.464	4.058	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)C(CC)CC)c1	726118036	HTMYGXRXOLLPNF-LFIBNONCSA-N	285.387	4.388	50	20	CIGD	
Cc1ccc(NNC(=O)c2csc3cc(C)ccc23)cc1	794924780	VRCZYJFXHFPKHZ-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CC(/C=C(/C#N)C(=O)c1ccoc1)=C\c1ccccc1	798229527	DWZLCMUSLGYXDG-AJVLGPTGSA-N	263.296	4.016	50	20	CIGD	
CC(CCc1cccc(C)c1)=NNC(=O)c1ccccc1C	920370405	IPYGSZICIAKPPI-UHFFFAOYSA-N	294.398	4.042	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	151887072	WVEDGGDADTZSQY-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CN(N=C[C@@]1(C)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C	496422828	DEOWSNWZUOAJMP-RHSMWYFYSA-N	288.391	4.033	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3ccccc3F)[nH]c12	735618960	HVUQCIUODMTGIC-LCYFTJDESA-N	277.302	4.075	50	20	CIGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)CC2CCCC2)c(C)c1	743764382	GKODMNGHKOJGSP-HNNXBMFYSA-N	288.435	4.271	50	20	CIGD	
C=CCCC(CC)=NNC(=O)c1ccc2ccccc2c1	750934933	RUBSRZANDQDVHG-UHFFFAOYSA-N	280.371	4.302	50	20	CIGD	
CCCCC[C@H](C(=O)NNc1ncccc1Cl)C(C)C	755805056	TWJILXXLOUGOCS-LBPRGKRZSA-N	297.830	4.031	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	783711320	XHMSPYVBHJRGDT-HNEYUBDGSA-N	292.382	4.456	50	20	CIGD	
C=C(CBr)CN1C[C@@H](C)C[C@H]1c1ccccc1	796620549	QAJRBJCMWNOWHT-WFASDCNBSA-N	294.236	4.021	50	20	CIGD	
CCCN(N=CCc1ccc(C)cc1)C(=O)OC(C)(C)C	834977319	JXAGDXSAMQXCHD-UHFFFAOYSA-N	290.407	4.170	50	20	CIGD	
CSc1ccccc1NC(=O)C1CCC(Cl)CC1	1527414588	PJWCBQUFEMJMJD-UHFFFAOYSA-N	283.824	4.145	50	20	CIGD	
N#CC(C#N)=CN[C@H](c1ccccc1)c1cc2ccccc2o1	78262423	NONWIDWDDIKEDK-LJQANCHMSA-N	299.333	4.043	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccsc2)c1	194858251	QRDYPLYGQZJFAF-OVCLIPMQSA-N	267.353	4.155	50	20	CIGD	
CCc1cccc2c(/C=C(/C#N)c3ccccn3)c[nH]c12	212109233	HPLQMGDEDJFDBG-UVTDQMKNSA-N	273.339	4.189	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C2=CCCCCC2)cc1	775893909	DBROLUAGXDUGDJ-UHFFFAOYSA-N	286.419	4.318	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccccc1	794954136	PGXVQGPTKAJFFJ-XVNCSPBISA-N	253.345	4.155	50	20	CIGD	
CCCN(N=C1CCCC[C@H]1C)C(=O)OC(C)(C)C	794997647	ZNBSZHXSIWAAAX-GFCCVEGCSA-N	268.401	4.200	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(C)c2C)cc1	731155158	AUJXNBBVQBEUCY-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776722484	QVVFYCLVWPHKSH-WMZJFQQLSA-N	265.715	4.001	50	20	CIGD	
CC(C)(C)CC(=NNC(=O)c1cccc(Cl)c1)C1CC1	787156372	YVKRTCPUSYPMTH-UHFFFAOYSA-N	292.810	4.272	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc2occc2c1	794686204	LOVHPVWXJWTTIO-NTEUORMPSA-N	277.279	4.124	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1c(F)ccc(F)c1Cl	863184067	HVRKGDPRVVVAMN-RMKNXTFCSA-N	283.705	4.140	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2ccccc2)o1	8117288	RGZWKBBFZNGCDW-VSXNHXORSA-N	277.323	4.193	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cccc(C)c2Cl)c1	123651679	VNQNTHUZWJHKQJ-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
N#CC(C#N)=CNc1ccccc1-c1cc(F)c(F)c(F)c1	176916245	QQJSUWOJWUGGBF-UHFFFAOYSA-N	299.255	4.114	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	255082876	ILZFIVFNWSKRJP-WDZFZDKYSA-N	289.693	4.170	50	20	CIGD	
CC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757361461	MWAUSRKEWUPNML-UHFFFAOYSA-N	289.287	4.062	50	20	CIGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)c1ccc(C)cc1	764921364	SXZUHTMIXLRYIT-BOPFTXTBSA-N	291.350	4.102	50	20	CIGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)c1ccccc1	766752909	ULZRSZKHJKUDJC-PWSUYJOCSA-N	299.208	4.100	50	20	CIGD	
CC1(C)Cc2cc(/C=C(/C#N)C(=O)C3CCCC3)ccc2O1	781556534	ZECNTNHOCGYZPW-YBEGLDIGSA-N	295.382	4.066	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)cc(C)c1	794873106	BGLHZFLJYMPASY-GDNBJRDFSA-N	255.361	4.216	50	20	CIGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)C(C)(C)CC)cc1	794874270	KFKINDAJWPTTMT-DTQAZKPQSA-N	298.430	4.445	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cn1	797399866	XJSNIMPYHRYIDQ-NTUHNPAUSA-N	283.400	4.208	50	20	CIGD	
C[C@H](C=NNC(=O)c1ccccc1Cl)C1CCCCC1	1326228338	XBWMPTQYTLZRRD-GFCCVEGCSA-N	292.810	4.272	50	20	CIGD	
Cc1ccc(NC(=O)C2CCC(Cl)CC2)c(C)c1	1348415675	PCFPZTSBJHYFFJ-UHFFFAOYSA-N	265.784	4.040	50	20	CIGD	
Cc1cccc(C(=O)NNc2ccccc2Cl)c1Cl	123650016	DYQUVQLSIOTHKF-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1ccc(F)c(NNC(=O)c2ccc3ccccc3c2)c1	150770591	XOBRFCOWSUHOBN-UHFFFAOYSA-N	294.329	4.044	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)o1	588424741	IYIQZESIJBWSTP-TWGQIWQCSA-N	277.732	4.093	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CCCC2CCCC2)c1	748364523	AXZUPFUHTXYELF-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CC1(C)CCCC1=NNC(=O)c1ccc(Cl)cc1Cl	749859306	OUBNEVAGRUENCO-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CCCN(N=C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C	794996736	VAZBTOQNLJWVBE-IHRRRGAJSA-N	280.412	4.056	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ncc(C(C)(C)C)s2)n1	797405853	JSTYUIFZROUKNY-BJMVGYQFSA-N	289.429	4.270	50	20	CIGD	
O=C(NNc1ccccc1Cl)c1ccc2c(c1)CCC=C2	802827170	QVDUUAVWMKJLJQ-UHFFFAOYSA-N	298.773	4.056	50	20	CIGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)c(C)s1	837058119	JSNYTPGYKYOHOC-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc2ncccc12	871660657	WXSAFMHIVBPPCN-WDGDVPDHSA-N	278.355	4.147	50	20	CIGD	
CC1(C)CCC(C=NNC(=O)c2ccccc2Cl)CC1	1319376570	ALKDTVRQDNXRNO-UHFFFAOYSA-N	292.810	4.272	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1	6828502	HOGPOGNUFBODFU-XNTDXEJSSA-N	255.361	4.332	50	20	CIGD	
Cc1ccc(NNC(=O)c2cc3cc(C)c(C)cc3o2)cc1	158946734	XYIDMSLPCDEIHN-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3ccccn3)co2)cc1	255070913	OBTYRSYJTGDFGL-GDNBJRDFSA-N	287.322	4.109	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12	726594705	NCPJYKATBCPBEG-LKKYZFDUSA-N	293.366	4.371	50	20	CIGD	
O=C(C[C@H]1C=CCC1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421058	BHJWXRQABWPWCT-LBPRGKRZSA-N	297.310	4.010	50	20	CIGD	
C[C@@H](c1ccco1)N(C)CCO[Si](C)(C)C(C)(C)C	788011748	CRBICASZZORIDM-ZDUSSCGKSA-N	283.488	4.294	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1CCc2ccsc2C1	808742603	XYZMAEXQQLHWKN-UHFFFAOYSA-N	297.540	4.128	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(C)c1F	834438345	OVSLYBJMPDEDBS-UKTHLTGXSA-N	259.324	4.046	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2ccoc2C(C)C)cc1	837059375	SZCRMSXPSJDVKB-UHFFFAOYSA-N	286.375	4.283	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)C2CCCC2)c(C)c1	849180081	WNYSZTNGOLCTIX-WJDWOHSUSA-N	283.371	4.060	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)C(C)(C)C)c1OC(F)F	182049913	QCLBWEJGKBRAHF-XYOKQWHBSA-N	293.313	4.119	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1sccc1C	195173457	JXAMXMHPCQKCQX-MDWZMJQESA-N	285.343	4.294	50	20	CIGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccc(C)o1	752175963	RAEZCVWGFKLDGJ-UHFFFAOYSA-N	298.386	4.062	50	20	CIGD	
CC(C)(C)CC=NNC(=O)c1c(Cl)cccc1Cl	755698016	NAUVDRYCZLYVBS-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791739447	OQSFUPBSMBKDKR-DTWKUNHWSA-N	289.206	4.119	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1ccccc1F	799890827	AEQZMGOSZNAEAT-ZROIWOOFSA-N	299.732	4.354	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCO2)c1nc(C2CC2)cs1	843266587	XQOPCUXYIBQDJL-ZSOIEALJSA-N	294.379	4.020	50	20	CIGD	
CCC[C@H](C(=O)NNc1cc(C)ccc1C)c1ccccc1	857830569	OVEITORYUJYXEC-KRWDZBQOSA-N	296.414	4.330	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1C	125392967	WDYAPWULVYHIGI-NVNXTCNLSA-N	268.385	4.441	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	726183961	OHQHDCGSPXDNKD-JZQZCQBLSA-N	271.360	4.315	50	20	CIGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3occc3C)n2)cc1	742350289	VYRVABDAQGMEPT-ZROIWOOFSA-N	291.310	4.011	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2cc3ccccc3o2)CC1	749818071	QPOMVUNJGWUOTQ-UHFFFAOYSA-N	284.359	4.119	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)OC1CCCCC1	794685190	DPKFAQLINKHHRL-RVDMUPIBSA-N	295.338	4.216	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccc(F)c(F)c1	794689305	AGWGONLIQKUFGV-ICLXBRQCSA-N	275.298	4.043	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccnc(Cl)c1	799891327	COYLCUMJUVWAAF-SNAWJCMRSA-N	292.165	4.370	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2)cc1C	809146279	OAZXFDVHJJOGQV-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
CCCc1[nH]ccc1C(=O)NNc1c(C)cccc1C(C)C	817605958	DZTYSGJEVLPQDJ-UHFFFAOYSA-N	299.418	4.156	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863184307	JRUQBPAQOVQALM-YXSUAUNDSA-N	287.306	4.289	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C	207691829	KQBCVSKPEOCVKY-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(C)o2)cc1	212018567	WQHVLVHJJANXRE-WJDWOHSUSA-N	279.339	4.330	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2F)cc1	588467659	RIASIHPPBJWNIG-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(F)c3F)[nH]c12	735618822	GEXGHBLXVMLULD-XYOKQWHBSA-N	295.292	4.214	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	768472159	HETWMQCHXJKRMZ-XWAFYUISSA-N	290.366	4.271	50	20	CIGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)C1CCCCC1	782346641	BPMRQLDCXBOGMD-MDWZMJQESA-N	286.400	4.077	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812247892	AECYVPVBLWRKFD-JYRVWZFOSA-N	288.272	4.473	50	20	CIGD	
CCCCc1ccc(CC(=O)NNc2ccc(C)cc2)cc1	919285064	VUTAOXNDWITAHM-UHFFFAOYSA-N	296.414	4.023	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1ccc(F)cc1	14180155	XVTFBXHJJHBBGX-JXMROGBWSA-N	291.734	4.330	50	20	CIGD	
CC(C)n1cccc1C(=O)NNc1ccc(C(C)(C)C)cc1	181119124	FBKNFBOPLICAFG-UHFFFAOYSA-N	299.418	4.123	50	20	CIGD	
C=CC[C@@H](CCl)CCCOCc1ccccc1	306877474	IBZYONVUBONZDN-CQSZACIVSA-N	252.785	4.415	50	20	CIGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(F)cc1F	734091774	CVWGKTUMROPXGN-LBPRGKRZSA-N	296.361	4.014	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	741471304	YTPBGVJMUFZHLQ-FBKCMUNRSA-N	285.387	4.386	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)c1nc2cc(F)ccc2s1	742348875	DRJQAGUBXYTWTQ-UXBLZVDNSA-N	284.315	4.401	50	20	CIGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1ccccc1F	750818668	ZSRNSZBXJXKGQJ-PTNGSMBKSA-N	291.325	4.493	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1C	767351689	IPNSLZQUBJRDOG-XNFYSYIQSA-N	261.752	4.171	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)C)c(C)n1CC(C)C	915841831	PXOVCGGPNYULRQ-SXGWCWSVSA-N	286.419	4.283	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)ccc1C	1116800182	PMEWFUYEFUEKQD-YBEGLDIGSA-N	291.350	4.102	50	20	CIGD	
CC[C@H](C)C(=O)NN=CC1CCC(c2ccccc2)CC1	1321332048	LFKUTNRIVVRBJL-UQPPLGOBSA-N	286.419	4.109	50	20	CIGD	
Br[C@@H]1CCCC[C@@H]1OC1CCCCC1	50502650	NYJUBASFQIRYNF-NEPJUHHUSA-N	261.203	4.042	50	20	CIGD	
BrCC1c2ccccc2-c2ccccc21	84199481	BOMNOBILRVUSPL-UHFFFAOYSA-N	259.146	4.194	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)c1nc2ccccc2[nH]1	120833948	MAWPDUWSAAJINM-XFFZJAGNSA-N	297.720	4.420	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1C	731155969	XMMURQGZIWEXLS-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
CC[C@H](CC(=O)NNc1cccc(C)c1)c1ccc(C)cc1	738511240	VFGDAPVVSPXUEK-MRXNPFEDSA-N	296.414	4.330	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc2cnccc2c1	782343530	WSCXVAMCEYGTFY-NWRYFCBHSA-N	278.355	4.147	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794884488	IWJJDOVLOOTFGC-WOJGMQOQSA-N	298.345	4.333	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cccc(C(C)C)c2)c1	830791118	AYOJVOZAJZPPRO-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2cc(Cl)cnc2o1	834421681	SXIDIHAJYRDRJW-NJQKBMNKSA-N	288.734	4.003	50	20	CIGD	
N#C/C(=C/c1ccccc1F)c1nc2ccccc2o1	33781709	NTJCKWGWTFKRDF-XFXZXTDPSA-N	264.259	4.031	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1F	72776987	YCPXUEBDEQFZEE-LLVKDONJSA-N	299.436	4.478	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2ccsc2)o1	255765266	BMWYZZMUUQDNFM-GONRPIDOSA-N	283.352	4.254	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(Cl)c1	726118884	RWEXGAPWYUZAQM-MDWZMJQESA-N	261.752	4.252	50	20	CIGD	
CCCCC1CCC(NC(=O)NNc2ccccc2)CC1	734271017	AHJXTOAAQACULZ-UHFFFAOYSA-N	289.423	4.062	50	20	CIGD	
CCC(C)(CC)C(=O)NNc1ccc(C(C)(C)C)cc1	768408963	DDIMTAIVLPSCLO-UHFFFAOYSA-N	276.424	4.254	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)CCCc1ccccc1	799759781	WIGYWXPNIPBRNM-UHFFFAOYSA-N	296.414	4.023	50	20	CIGD	
CCCCCC(=C/c1ccccc1)/C=C(/C#N)C(=O)OC	810192040	CKQAETFUZXRYSZ-MCOFMCJXSA-N	283.371	4.273	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(Cl)cncc1Cl	865220101	CYNWPFQHANHXRQ-JRZFIGEHSA-N	297.185	4.301	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1318851494	SEWGUEWCNWMZRB-MFVBVHDHSA-N	267.372	4.088	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)s1	122172511	KBWJGUCNZUTLGR-LCYFTJDESA-N	297.379	4.163	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2c(F)cccc2F)sc1C	125424423	GQZGTJVUZIKKTB-POHAHGRESA-N	276.311	4.102	50	20	CIGD	
N#C/C(=C/c1ccccc1)C(=O)c1cc2ccccc2o1	192756272	VCNCUZJQEJLPND-GDNBJRDFSA-N	273.291	4.223	50	20	CIGD	
C=CCCC(CC)=NNC(=O)C12CC3CC(CC(C3)C1)C2	750920061	XMZCWMXBCKGSTM-UHFFFAOYSA-N	288.435	4.051	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c2cccnc12	794875415	VLCBBGKBPMNNPR-RAXLEYEMSA-N	296.345	4.286	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	834447658	PGQGZLTYMDNEBY-ZZXKWVIFSA-N	292.162	4.279	50	20	CIGD	
CC(C)Cc1c[nH]c(C(=O)NNc2ccc(C(C)C)cc2)c1	839788266	DIIURHIFMQLFIO-UHFFFAOYSA-N	299.418	4.094	50	20	CIGD	
Cc1cc(F)ncc1/C=C(\C#N)c1nc(C(C)C)cs1	899344426	QKAXCHUBVDRWAJ-VZUCSPMQSA-N	287.363	4.173	50	20	CIGD	
CC(C)(C)C(=O)NN=Cc1sc2ccccc2c1Cl	915970118	YLVKXDPPSIKIHW-UHFFFAOYSA-N	294.807	4.051	50	20	CIGD	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)CC(C)(C)C	918714455	WFDPBMXEWHXTTK-XNTDXEJSSA-N	285.387	4.386	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1C	48501999	KAIBZOQQCPEJIK-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)c1nc2ccccc2[nH]1	776720867	AEIJNNPAYVIASR-WZUFQYTHSA-N	297.720	4.420	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C[C@@H]2C=CCCC2)cc1	779067914	JWARFGQFQJFBFW-CQSZACIVSA-N	286.419	4.174	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1	18918087	BGQFTRDXFQICEA-UKTHLTGXSA-N	285.705	4.269	50	20	CIGD	
N#CC(C#N)=CN[C@H](c1ccc(Cl)cc1)c1ccsc1	49021002	LEEFYGSGJLDLCW-OAHLLOKOSA-N	299.786	4.012	50	20	CIGD	
CCC(CC)CNC(=O)CCCC[C@@H]1CCSS1	729432286	BJHYXBRWMZBFOV-CYBMUJFWSA-N	289.510	4.253	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1c(F)cccc1F	740926762	IPPXUABGBOBWQY-GFCCVEGCSA-N	298.377	4.405	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1ccsc1	794687195	RVEVGICPTAUYEQ-ZSOIEALJSA-N	279.320	4.284	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	794873961	IJFGQCXLHFHWPT-YRNVUSSQSA-N	279.742	4.391	50	20	CIGD	
Cc1occc1/C=C(/C#N)c1nc(C(C)C)cs1	840736481	XQKRCFAXWSSDOB-SDQBBNPISA-N	258.346	4.232	50	20	CIGD	
CC(C)(C)O[C@@H](CBr)c1ccccc1F	50479947	WPAYNGIKLZVSPY-NSHDSACASA-N	275.161	4.077	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)CC(C)(C)C)c1C	731158726	HCNPBMIJZRIPRS-OQLLNIDSSA-N	255.361	4.216	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758017339	PUAGBGZMJZNDET-JDVNWEJLSA-N	299.276	4.212	50	20	CIGD	
CSc1cc(/C(C#N)=C\c2ccccc2C2CC2)ncn1	773176810	OSTMNVGOEHPQBG-ZSOIEALJSA-N	293.395	4.140	50	20	CIGD	
COc1ccccc1/C=C(/C#N)c1nc(C2CC2)cs1	843266604	YAYYRMWIFYKFQJ-JYRVWZFOSA-N	282.368	4.093	50	20	CIGD	
N#C/C(=C/c1c(F)ccc(F)c1Cl)C(=O)C1CCCC1	863188439	VFWRXDCBEXTCNX-YFHOEESVSA-N	295.716	4.284	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1c[nH]c2ccccc12	915940137	XJIZRAHEIUAODV-LBPRGKRZSA-N	285.391	4.100	50	20	CIGD	
BrC[C@H]1CCCC[C@@H]1c1ccccc1	164834624	GSZULYWYBJLBOP-CHWSQXEVSA-N	253.183	4.355	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1	211206390	CMXJSKHSUZXFBB-LCYFTJDESA-N	283.352	4.100	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(F)cccc1Cl	726594344	JRFWVULVEQVJDR-CBFJXKFUSA-N	265.715	4.001	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	726594377	KEKXFFCXMOIFET-LFMVTYOGSA-N	286.419	4.283	50	20	CIGD	
O=C(CC1CCC1)NN(c1ccccc1)c1ccccc1	742520346	XOBBTWCZMQVFBC-UHFFFAOYSA-N	280.371	4.046	50	20	CIGD	
CCCCCC[C@H](C)C(=O)NNc1c(F)cccc1F	743455136	IVNIUSZXXVALKC-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C2CCCCCCC2)c(C)c1	743764073	JEVYOWACTWEFMU-UHFFFAOYSA-N	288.435	4.415	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	773151148	SCICLDOFYZCSSF-UXBLZVDNSA-N	289.693	4.170	50	20	CIGD	
CCCC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CC1	780802396	MBMFUGPDYYYJIE-UHFFFAOYSA-N	274.408	4.008	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	794874757	OCDQAJAEEWQAFG-LFIBNONCSA-N	297.398	4.388	50	20	CIGD	
O=C(NNc1ccccc1Cl)NC1CCCCCCC1	915884944	UYUJMSCUJFQWKH-UHFFFAOYSA-N	295.814	4.079	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1318851495	SEWGUEWCNWMZRB-VVBXCHJUSA-N	267.372	4.088	50	20	CIGD	
Cn1cccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	205536536	DVXARUCBXYFMBM-UVTDQMKNSA-N	291.379	4.213	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc2ccccc12	726429482	KPOVHZARYDAZOV-XDUBLRSXSA-N	263.340	4.362	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1cccc2ncccc12	730145864	UDVAJJMYACINRK-UHFFFAOYSA-N	297.402	4.311	50	20	CIGD	
Cc1ccccc1[C@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785378538	PMXYIPDVNPPLND-ZKMNFCBKSA-N	291.350	4.206	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c1	809145831	GXLYNJCVHOQPQZ-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
CCC(C)(C)C1CCC(=NNC(=O)CC(F)(F)F)CC1	917551743	XEAYMSFJVYAAHA-UHFFFAOYSA-N	292.345	4.037	50	20	CIGD	
N#CC(C#N)=Cc1ccc(-c2cccc(Cl)c2)s1	46102176	GIBYXHRTRYJUEX-UHFFFAOYSA-N	270.744	4.499	50	20	CIGD	
Cc1ccccc1[C@@H](CBr)OCCC(C)C	50481033	LPKRRPQFRQMZFG-CQSZACIVSA-N	285.225	4.494	50	20	CIGD	
C=CCC[C@@H](NC(=O)NNc1ccccc1)c1ccccc1	130920557	NZSMZCQEXSQUOQ-QGZVFWFLSA-N	295.386	4.020	50	20	CIGD	
C=CC[C@@H](C)C(C)=NNC(=O)Cc1ccc2ccccc2c1	727778737	PXQOOOWLKOLAJU-CQSZACIVSA-N	294.398	4.087	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)s1	731156016	YNZONXOHNOCSRQ-RAXLEYEMSA-N	296.395	4.165	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccco1	732577622	OVLPWPLIPHXVOA-POHAHGRESA-N	292.121	4.376	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)c1nc2ccccc2[nH]1	771839707	HEZPHGCKGWYYCD-WEVVVXLNSA-N	285.759	4.342	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1cscc1Cl	771840135	XVNLHJGDTADOIU-XFFZJAGNSA-N	296.823	4.005	50	20	CIGD	
C[C@@H](c1ccc2ccccc2c1)N1CC=C(C#N)CC1	779591230	ZKWUONXEIKJNAF-AWEZNQCLSA-N	262.356	4.056	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc2c(c1)CCCC2	792884828	SFKZXRWTBBVRLY-BOPFTXTBSA-N	267.372	4.088	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2)cc1C	809146275	OAZXFDVHJJOGQV-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812245271	PMYRCJXGEFWZCZ-VIYDEIPASA-N	291.310	4.000	50	20	CIGD	
O=C(NNc1ccccc1)Nc1ccc(Cl)cc1Cl	915878969	BWRQVABYJLGKJF-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccsc1	135354317	PPBYFVLWWIEZFQ-NSHDSACASA-N	287.475	4.401	50	20	CIGD	
COc1ccc2cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc2c1	211399250	YIQDHFPTHBVAPI-YBEGLDIGSA-N	293.366	4.371	50	20	CIGD	
CCCN(N=C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C	496254822	NNNFUIPSLALVIZ-UHFFFAOYSA-N	293.411	4.093	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)ccc1C	726119084	TZGIRBNWOCYPAA-MHWRWJLKSA-N	255.361	4.216	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735620019	SVAZIUMXVXJZQA-GDNBJRDFSA-N	273.339	4.244	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CC[C@H]2CCCC[C@@H]2C1	749450688	ZNZCKBZLNWQVKE-HUUCEWRRSA-N	276.424	4.029	50	20	CIGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)c2ccsc2)s1	758419265	UVAIXUKULUNHCN-WZUFQYTHSA-N	288.397	4.118	50	20	CIGD	
COC(=O)N(C)N=C(C)c1ccc(C2CCCCC2)cc1	794958253	QEGHQVMQEGXJRJ-UHFFFAOYSA-N	288.391	4.157	50	20	CIGD	
N#C/C(=C\c1ccccc1C#N)c1cc(C(F)(F)F)ccn1	812246065	CDPKHYXPAMLWSF-NTUHNPAUSA-N	299.255	4.036	50	20	CIGD	
COc1cc2ccccc2cc1/C=C(\C#N)C(=O)C(C)(C)C	834399084	XWONOYUKRHRKMS-MHWRWJLKSA-N	293.366	4.371	50	20	CIGD	
CCCCCCCOC(=O)/C(C#N)=C/c1ccccc1	103114552	IZNLCTFYJBIZDN-DTQAZKPQSA-N	271.360	4.107	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccnc2Cl)n1	255106237	GNYAXDWFAZGGHO-WDZFZDKYSA-N	289.791	4.379	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	726118104	ISPQINDHONSDNV-MHWRWJLKSA-N	285.387	4.386	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(C)c(C)s2)cc(C)c1O	741473406	HZKFYCHEJJDEMR-VGOFMYFVSA-N	284.384	4.147	50	20	CIGD	
CC(C)c1cccc(NC(=O)NNc2ccc(F)cc2)c1	758155846	OFPYBBAPMVZYLQ-UHFFFAOYSA-N	287.338	4.098	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)C)s2)cc1	764884273	FDHSJJMILCJPSY-RIYZIHGNSA-N	296.395	4.365	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)C1CCCC1	794691123	MGZAAMVKENDITG-GDNBJRDFSA-N	265.312	4.099	50	20	CIGD	
Cc1cccc(NNC(=O)c2cc(C)c(Cl)cc2C)c1	794922149	DNPUYDVVZYPFPB-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CCc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)cc1	916329822	YOAOQCFXUDOTCP-RDJZCZTQSA-N	298.430	4.325	50	20	CIGD	
CCC(CC)=NNC(=O)c1ccc(OCCC(C)C)cc1	9869803	MBSPLEAMJFDFDJ-UHFFFAOYSA-N	290.407	4.017	50	20	CIGD	
CSc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	33399166	WWKDAMGCEWPKAZ-RAXLEYEMSA-N	291.379	4.349	50	20	CIGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)C1CCCCC1	130193384	LDKANRQNKFKQDA-SFQUDFHCSA-N	290.366	4.291	50	20	CIGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1ccsc1	750818072	OLVDPJLRJZJJFY-DHDCSXOGSA-N	279.364	4.415	50	20	CIGD	
N#C/C=C\COc1ccc(-c2ccccc2)cc1Cl	763300909	MKMVECQWDACXRT-PLNGDYQASA-N	269.731	4.466	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811626696	JZYOJVVIOYAVLI-YWEYNIOJSA-N	287.306	4.289	50	20	CIGD	
C[C@H](CBr)c1ccc(OC(F)(F)F)cc1	84192461	PGYUYQKDRYWVMS-SSDOTTSWSA-N	283.087	4.084	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1C	170938399	DTCHOXWBNILNQP-OQLLNIDSSA-N	298.411	4.285	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	735618948	HOZWTKFKFVZWDY-NTEUORMPSA-N	291.329	4.383	50	20	CIGD	
CCCCCC[C@@H](C)C(=O)NNc1c(F)cccc1F	743455134	IVNIUSZXXVALKC-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)[C@@H]1C	781126365	FPYRBRDCVAOIIR-VHSXEESVSA-N	296.773	4.021	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)CC)cc1	794874701	NOLKRGAXEIHNMB-QINSGFPZSA-N	285.387	4.388	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C)c(F)c1	794881666	XTBGKICBNLWJCM-JYRVWZFOSA-N	259.324	4.046	50	20	CIGD	
N#C/C(=C/c1ccccc1)C(=O)c1ccc2ncccc2c1	794885413	RLCROHCWSBMNRE-BOPFTXTBSA-N	284.318	4.025	50	20	CIGD	
CC1(C)CC[C@H]1NC(=O)CCCC[C@H]1CCSS1	805243730	RELJCVIEQSSVTL-NWDGAFQWSA-N	287.494	4.005	50	20	CIGD	
CC1(C)CCC[C@H](C=NNC(=O)c2ccccc2Cl)C1	1116365662	QLDZMOOYZJTRRF-LBPRGKRZSA-N	292.810	4.272	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1F	1338764887	LWBHGSYITXGASO-DHDCSXOGSA-N	279.314	4.232	50	20	CIGD	
Cc1cccc([C@@H](CBr)OC(C)(C)C)c1	50479992	JYKFUEAEGHCYES-GFCCVEGCSA-N	271.198	4.246	50	20	CIGD	
CC(C)(CBr)Cc1ccccc1Cl	85050332	KSLHFZSXVNLELO-UHFFFAOYSA-N	261.590	4.304	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C)c(Cl)c2)c1	159003443	XBZOGUWXLUGYGG-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc2ccccc2s1	176949939	VDJRDEUFQXSBDI-XFXZXTDPSA-N	269.369	4.423	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	726428446	MDLGITSBLCQGCL-UVIKPUKZSA-N	281.277	4.228	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)OC2CCCCC2)c1C	731211041	JRZDGLVWKDCTOR-LFIBNONCSA-N	283.371	4.086	50	20	CIGD	
Cc1cc(C)c(NNC(=O)[C@H](C)CC2CCCC2)c(C)c1	743764384	GKODMNGHKOJGSP-OAHLLOKOSA-N	288.435	4.271	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1C1CC1	751037815	NYUOLEVURSWISU-RERGGYADSA-N	267.372	4.476	50	20	CIGD	
CC[C@H]1CCCC1=NNC(=O)c1c(Cl)cccc1Cl	758371097	SSQASGOGYXLJPQ-VIFPVBQESA-N	299.201	4.289	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)c1ccc([N+](=O)[O-])cc1	799888472	HEFVPCMLTOAFDM-OQLLNIDSSA-N	298.729	4.398	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1ccoc1	806556856	HXPXTEZBBJMAQF-QPEQYQDCSA-N	273.238	4.007	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1C	44028344	MVNPKHZODIIVIY-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(C(C)(C)C)s2)cc1	158649535	COTCCXWCAFDUPX-UHFFFAOYSA-N	288.416	4.111	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Cl)c(C)c2)c1	158740214	XHPXMCZBNSSDDI-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CCCN(N=C(C)CCC1CC1)C(=O)OC(C)(C)C	794997750	DWHCEVYNNFPRRG-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
Cc1ccc(F)c(NNC(=O)c2cccc(C3CCC3)c2)c1	798983159	WUOUKZYRYDSJTN-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
CCCCCC(=C/c1ccccc1)/C=C(/C#N)C(=O)O	810193790	KHIMLRMCJNKZBL-NFLUSIDLSA-N	269.344	4.185	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(C2CC2)cc1	840716669	KMIBCAIXQDKJGT-YBEGLDIGSA-N	253.345	4.086	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc3c2CCC3)n1	844275393	VXMKSRKOZWTHRB-RIYZIHGNSA-N	266.369	4.004	50	20	CIGD	
CC[C@@H]1CCCCC1=NNC(=O)c1ccccc1Cl	1116506472	TZYBWWJYGUGUMQ-LLVKDONJSA-N	278.783	4.026	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	11333736	DHTZYKODYBXNLK-JLHYYAGUSA-N	297.354	4.337	50	20	CIGD	
CCCOc1cccc(/C=C(/C#N)c2nc(C)cs2)c1	48639359	SGQRQISEVZFDTA-ZSOIEALJSA-N	284.384	4.305	50	20	CIGD	
Br[C@@H]1CCCC[C@@H]1OCC1CCCCC1	52147218	AXTVHAQQVCQRKW-OLZOCXBDSA-N	275.230	4.289	50	20	CIGD	
C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CCl	379452826	LJCNPDCZABOEFQ-LBPRGKRZSA-N	293.819	4.077	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc2ccccc12	726429479	KPOVHZARYDAZOV-KWWJGWKXSA-N	263.340	4.362	50	20	CIGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)c1ccccc1	766752911	ULZRSZKHJKUDJC-ZYHUDNBSSA-N	299.208	4.100	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C2CCC2)cc1	790906649	AWKCJEWAUZUEQK-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CCC(=C2CCC2)CC1	853281638	YXMJQSKTSNQMIX-UHFFFAOYSA-N	282.387	4.135	50	20	CIGD	
CCCc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)s1	856720609	NZGKMMPHWPZKCC-XFXZXTDPSA-N	285.368	4.392	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2ccccc2c1	726428754	PJFIIHFRSGUKAS-VVBXCHJUSA-N	263.340	4.362	50	20	CIGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc(C#N)cc1	731926522	IMSNTYJNWPNCFO-UHFFFAOYSA-N	297.402	4.024	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	737442570	CGODLPHEHMNLMT-OQLLNIDSSA-N	297.398	4.312	50	20	CIGD	
CCCCC(C)=NNC(=O)c1cccc2ccccc12	741465835	WNOULUSBKZEPCD-UHFFFAOYSA-N	268.360	4.136	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(C)c(C)s2)cnc1Cl	760264747	MJZICPGMJUSZPU-XGICHPGQSA-N	289.791	4.181	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cccc(F)c2F)sc1C	125422150	FOSJZBHZPPOZBG-WDZFZDKYSA-N	276.311	4.102	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1ccc(F)cc1	254977580	PBDVPEBQJVVTGB-ZROIWOOFSA-N	283.277	4.063	50	20	CIGD	
CC[C@@H](C(=O)NN=C[C@H](C)c1ccccc1)c1ccccc1	731931964	VDGXMLAYRWFAMT-MAUKXSAKSA-N	294.398	4.086	50	20	CIGD	
CC(C)C[C@H](NC(=O)NNc1ccccc1)c1ccccc1	734262691	ACNRZYKFSWUFNI-KRWDZBQOSA-N	297.402	4.100	50	20	CIGD	
CCCCCCCOc1cccc(C=C(C#N)C#N)c1	747612845	KNKSFFXFYOGZMJ-UHFFFAOYSA-N	268.360	4.466	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2cnccc2c1	780004211	IIYAXJGJWXTJMO-LICLKQGHSA-N	278.355	4.147	50	20	CIGD	
C=CC[C@@H](C)C(C)=NN(CCC)C(=O)OC(C)(C)C	794995714	MSIVXQARZLAJCG-GFCCVEGCSA-N	268.401	4.222	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)nc2)s1	797399545	UARAMHHVHYVEQH-WDZFZDKYSA-N	287.363	4.039	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1c[nH]c2ccccc12	807945314	LCDVUUFFHYWJQN-GFCCVEGCSA-N	285.391	4.100	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)nc2)cc1C	809160284	LQEWDXICKZUQLP-NVNXTCNLSA-N	296.757	4.142	50	20	CIGD	
CC(C)=NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	912800343	NLIKZNDXSRSFQQ-LBPRGKRZSA-N	292.448	4.025	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccccc2C)c1	1251316169	OXAOSBCZDVALTJ-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
Cc1coc(C(=O)NNc2c(C)cccc2C(C)C)c1C	1324263680	BEWQBMCQOKSNCE-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(N(C)C)cc2)n1	83015666	PUZXEISLLCAXAB-ZROIWOOFSA-N	297.427	4.397	50	20	CIGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(SC(C)C)cc1	728429206	AODDASLCRKMHQO-LBPRGKRZSA-N	292.448	4.073	50	20	CIGD	
C/C=C(/C=C\C(=O)NNc1ccccc1C(F)(F)F)CC	764718224	WEGBDWOFEPINTR-MSRQTSMUSA-N	298.308	4.061	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(C2CC2)cc1	840716668	KMIBCAIXQDKJGT-MHWRWJLKSA-N	253.345	4.086	50	20	CIGD	
CCOC(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	17472995	QYWGRWZDFSJLKE-VQHVLOKHSA-N	291.759	4.025	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)c1ccc([N+](=O)[O-])cc1	195332929	TYNBGSZZYLBNFK-YHYXMXQVSA-N	290.731	4.374	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	588598242	LWXBHIQGDYELDS-ZROIWOOFSA-N	297.354	4.337	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cs1	588601388	YGSVDOTZHIAYGX-RAJVOEEQSA-N	267.781	4.314	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1	732716791	ZRSJFXXISVSXTI-ATVHPVEESA-N	296.414	4.002	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1	735618816	GEBUSIZZSOIQLJ-LFIBNONCSA-N	287.366	4.498	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741841902	CRCNIPXDPALMRM-UVIKPUKZSA-N	271.291	4.094	50	20	CIGD	
C[C@H](c1ccc(C(C)(C)C)cc1)N1CC=C(C#N)CC1	779591213	YWWCZRJMDKNZLV-CQSZACIVSA-N	268.404	4.201	50	20	CIGD	
Oc1nc(C(Cl)Cl)nc2sc3ccccc3c12	917511745	GRGNEAHHUDDPMU-UHFFFAOYSA-N	285.155	4.026	50	20	CIGD	
COCc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	176916683	RDWZFGHCNKVQOZ-OVCLIPMQSA-N	298.411	4.477	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	263921640	UVVCZOUJAPBFTM-CMWXKVOJSA-N	299.342	4.258	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(C2CCC2)cc1	834417365	MDSUDMDJIUWPNC-MHWRWJLKSA-N	253.345	4.086	50	20	CIGD	
CCCC(=NNC(=O)c1c[nH]c2ccccc12)C1CCCC1	834921965	YCJSCMPKSQCKQP-UHFFFAOYSA-N	297.402	4.244	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1ccccc1Cl	1339890914	KKLKQYUWNQHZLX-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)s2)cc1	35003485	BHBNTCVEOBRNTC-UVTDQMKNSA-N	296.395	4.165	50	20	CIGD	
CC[C@H](C)O[C@H](CBr)c1ccc(C)cc1	50480057	OVIIAVOUFUTPGQ-WCQYABFASA-N	271.198	4.246	50	20	CIGD	
Clc1cccc([C@@H](CBr)OC2CCC2)c1	52147023	QSRGMRRUCBBGTG-GFCCVEGCSA-N	289.600	4.345	50	20	CIGD	
COc1ccccc1/C=C(\C#N)C(=O)c1cc(C)cc(C)c1	60422107	GQZOQJVZLUSWBA-GZTJUZNOSA-N	291.350	4.102	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)c(C)c1	97990623	SIFMWSDKIXJRDA-WJDWOHSUSA-N	287.366	4.254	50	20	CIGD	
CCc1cccc2c(/C=C(\C#N)C(=O)CC(C)C)c[nH]c12	171020105	LLSCYHCKQMZFIE-NTEUORMPSA-N	280.371	4.252	50	20	CIGD	
C[C@H](C=NN(C)C(=O)OC(C)(C)C)c1cccc(Cl)c1	494300599	VBBPVGORPXJQEH-LLVKDONJSA-N	296.798	4.296	50	20	CIGD	
CC(CCc1ccc(C)cc1)=NNC(=O)CC1CCCC1	749447735	WWFZYFYESUZTOG-UHFFFAOYSA-N	286.419	4.000	50	20	CIGD	
O=C(CCc1ccccc1)NN=C1CC[C@H]2CCCC[C@@H]2C1	749745529	QOWVGSJITFHGQT-IAGOWNOFSA-N	298.430	4.082	50	20	CIGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccccc1C	779761231	LDMSUYSKBPAUNZ-CYBMUJFWSA-N	274.408	4.173	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc2cccnc12	783696322	MJOQWILBUXHTDT-LDADJPATSA-N	298.345	4.333	50	20	CIGD	
C=CCC(C)(C)C(=O)NNc1cc(Cl)cc(Cl)c1	816472613	LMZZDIDDHBTNAZ-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc2ncccc12	871600023	YZOOHFJTRXLHLU-SDNWHVSQSA-N	278.355	4.147	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1sccc1C	918186075	RWXNIAHMYUJURO-RAXLEYEMSA-N	284.384	4.058	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)C2CCCCC2)c1	128920583	BZHCJDHTUJXTJU-WJDWOHSUSA-N	253.345	4.051	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)c1ccc2ccccc2c1	184384993	JZSFYKKHTTVVPU-UHFFFAOYSA-N	294.329	4.044	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1cccc(F)c1	195229349	XQZPJGRBTNTRHW-YFHOEESVSA-N	291.734	4.330	50	20	CIGD	
C[C@H](CBr)CN[C@H](c1ccccc1)C1CCC1	770667367	QBKMQMJJLNIZOF-IUODEOHRSA-N	296.252	4.148	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)OC1CCCCC1	771840397	ZTOXKIBTLMXSLV-POHAHGRESA-N	295.791	4.184	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C\c1ccccc1	794954135	PGXVQGPTKAJFFJ-UEAALKJISA-N	253.345	4.155	50	20	CIGD	
CC(C)(C)OC(=O)NN=C1CCC2(CCCC2)CC1	811628827	ADMUTCVKMVMXJM-UHFFFAOYSA-N	266.385	4.002	50	20	CIGD	
CCC(=NNC(=O)c1cccc(Cl)c1)C1CCCC1	834923832	DPFKQHBNGMUWSX-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	580294	VNZNBBRPVGWSMH-RVDMUPIBSA-N	294.310	4.058	50	20	CIGD	
FC(F)(F)c1cccc([C@@H]2OCCC[C@@H]2CCl)c1	92889338	KDGIUQQGEBSGPA-PWSUYJOCSA-N	278.701	4.412	50	20	CIGD	
Cc1coc2ccc(NC(=O)NNc3ccccc3F)cc12	187978466	DBHKANHMIFZHIM-UHFFFAOYSA-N	299.305	4.029	50	20	CIGD	
CCC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	192190569	YQZMKMBYBNXELF-GFCCVEGCSA-N	289.510	4.253	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(Cl)c(C)c2)n1	588409976	SWOGXHMZQLRZID-WUXMJOGZSA-N	274.776	4.478	50	20	CIGD	
CC(C)(C)c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)o2)cc1	743248209	KYXSAQPAGIKYKR-JLHYYAGUSA-N	295.338	4.236	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@@H](C)CC(C)C)c(C)c1	743761384	DWOZBJUOPUOWJP-LBPRGKRZSA-N	276.424	4.127	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2CCC[C@H](C)C2)c(C)c1	743764464	JXQGRYWRUQIDRA-BLLLJJGKSA-N	288.435	4.271	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCCC2	792884072	OFAOFZRFGNKHIY-GPLLRDDGSA-N	267.372	4.088	50	20	CIGD	
Cc1ccc(NNC(=O)CCc2ccc(C(C)C)cc2)cc1	916162864	ZRXNGUDOTKEPLS-UHFFFAOYSA-N	296.414	4.194	50	20	CIGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)C(C)C)cs2)cc1	124811639	MAUWEPMHZFXDFE-ZSOIEALJSA-N	296.395	4.251	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(O)c(F)c2)n1	179178610	MQXUIHPQCIDORC-WZUFQYTHSA-N	288.347	4.175	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Cl)cc1	726118827	RBZDYVOFEWCSOC-LCYFTJDESA-N	261.752	4.252	50	20	CIGD	
Cc1cccc([C@H]2CCCN2C[C@@H](C)CBr)c1	770647959	NSJSVNMBMBZAGD-DZGCQCFKSA-N	296.252	4.163	50	20	CIGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1c[nH]c2ccccc12	779757794	KGWRTDJDQXYVIX-CYBMUJFWSA-N	299.418	4.346	50	20	CIGD	
N#C/C(=C/c1ccccc1F)C(=O)c1cccc(Cl)c1	810216744	NMMPJXLKVSXRJU-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCCC(F)(F)C2)cc1	837056618	BOYFFVAGSAKGCV-ZDUSSCGKSA-N	296.361	4.079	50	20	CIGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCCCC#N)C1	844336575	MAMVKOLVLBTTDW-OAHLLOKOSA-N	296.531	4.166	50	20	CIGD	
CCCC(=NNC(=O)OCC(F)(F)F)C1CCCCC1	853430928	RQIHDNJDTRSKRS-UHFFFAOYSA-N	294.317	4.011	50	20	CIGD	
CCc1ccc(C(=O)NN=C(CC(C)C)CC(C)C)cc1	916329619	QEWZDCSBZYSADN-UHFFFAOYSA-N	288.435	4.427	50	20	CIGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1	921262756	YIDBBVWEAPHLTK-GZTJUZNOSA-N	291.350	4.264	50	20	CIGD	
CC(C)c1nnc(CCCC[C@@H]2CCSS2)o1	1118126723	FTDHSGBMOMECDF-SNVBAGLBSA-N	272.439	4.060	50	20	CIGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccsc2)c(C)c1	5069898	KIKIWMUHHUYTGQ-OVCLIPMQSA-N	296.395	4.219	50	20	CIGD	
C[C@@H]1CCC[C@@](CBr)(OC(C)(C)C)C1	50503467	NAXIPGWTJQPTQD-ZYHUDNBSSA-N	263.219	4.145	50	20	CIGD	
Fc1ccccc1CO[C@H]1CCCC[C@@H]1Br	68954047	OWJDMPYALSDQST-AAEUAGOBSA-N	287.172	4.048	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1c(F)cccc1Cl	171093659	JVHRZMJLTSVZFN-JXMROGBWSA-N	265.715	4.001	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1C	741474890	UBHJIHJBQHFVIS-HOXUKUGESA-N	259.324	4.046	50	20	CIGD	
O=C(NN=C1CCCCCCC1)c1ccc(Cl)cc1F	747643792	OYXXSXVAWLRWMF-UHFFFAOYSA-N	296.773	4.309	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@H](c2ccc(F)cc2)C1	755996751	ULFFKRNKTKRJMF-KCBNLNMNSA-N	292.357	4.180	50	20	CIGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)C1CCCC1	781554981	BLOKFVOPMKFKAZ-LFIBNONCSA-N	265.356	4.230	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccccc2)cc1	920154422	LZBXPSSQXYUHKR-BRFSQIRFSA-N	291.350	4.206	50	20	CIGD	
CC(C)O[C@]1(CBr)[C@H]2CC[C@@H](C2)C1(C)C	158023944	ZYVHWGOVICWIMO-GMXVVIOVSA-N	275.230	4.001	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	254567529	RFGKKNUOIUWWBY-VIFPVBQESA-N	299.201	4.289	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	768472155	HETWMQCHXJKRMZ-BGARDKSCSA-N	290.366	4.271	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cnc(-c3ccco3)s2)n1	789129424	DYDUKDJBVDRBNJ-YHYXMXQVSA-N	299.380	4.232	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccsc1Cl	790098972	CCWSVNPQCMYVNY-UXBLZVDNSA-N	267.781	4.314	50	20	CIGD	
Cc1ccc(NNC(=O)c2sccc2C(C)C)cc1F	856231269	VCZCNTXNGHRIEU-UHFFFAOYSA-N	292.379	4.076	50	20	CIGD	
CCC[C@H](C(=O)NNc1cc(C)cc(C)c1)c1ccccc1	857494131	JMHDVZNRQQRSBK-SFHVURJKSA-N	296.414	4.330	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccn2C2CC2)c1	1325575584	YBGWXELHMXKILP-LFIBNONCSA-N	290.366	4.230	50	20	CIGD	
CCCCCC(=C\c1ccccc1)/C=C(\C#N)C(=O)OC	25887002	CKQAETFUZXRYSZ-UNZYHPAISA-N	283.371	4.273	50	20	CIGD	
Br[C@H]1CCCCCC[C@@H]1OC1CCC1	158376976	DGAPYEUKWLUPQW-RYUDHWBXSA-N	261.203	4.042	50	20	CIGD	
N#C/C(=C\c1ccccc1)C(=O)c1ccccc1OC(F)F	588384611	OLARCYJOWDKUTO-JLHYYAGUSA-N	299.276	4.078	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)[C@H](C)CCC)cc1	741470034	OXRXFKREMLGHPQ-RGHBXIHOSA-N	285.387	4.388	50	20	CIGD	
C[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)C(C)(C)C	780803913	RONYHQHXTSQUOB-GFCCVEGCSA-N	276.424	4.109	50	20	CIGD	
CCCCC[C@@](C)(CC)C(=O)NNc1cccnc1Cl	781943914	CFSQCNYBBDCOEG-OAHLLOKOSA-N	297.830	4.175	50	20	CIGD	
N#C/C(=C\c1ccnc(Cl)c1Cl)C(=O)C1CCCC1	834434624	OYPAQCBGZUTKRJ-YRNVUSSQSA-N	295.169	4.055	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)Nc2ccc(Cl)cc2)c1	915878240	SGHBAPJWNQNECK-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
Fc1ccc([C@@H]2CCC[C@@H](Br)C2)cc1F	70794770	KXMLSCBTTOPGBG-PSASIEDQSA-N	275.136	4.386	50	20	CIGD	
CC(C)(C)O[C@@H]1CCCCCC[C@H]1Br	158046421	RQSVPTAKWBOYJQ-GHMZBOCLSA-N	263.219	4.288	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(C)o3)c[nH]c2c1	194336666	GFZMVXVOYPLOGK-MDWZMJQESA-N	290.322	4.168	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)c(C)c1	212676756	OYYDKFJRCAIFLR-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
N#C/C(=C\c1ccccc1Cl)C(=O)C1CCCCC1	767714446	POPMKPQCPRWGLJ-GXDHUFHOSA-N	273.763	4.396	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(-c3ccco3)s2)c1	767862723	QQAPSNOIBSRNOT-UHFFFAOYSA-N	298.367	4.073	50	20	CIGD	
CC(C)(C)CC(=O)NN=C1CC(c2ccc(Cl)cc2)C1	783847904	WHIXYSQUESMHSM-UHFFFAOYSA-N	292.810	4.126	50	20	CIGD	
CCCN(N=C[C@@H]1CCC[C@H](C)C1)C(=O)OC(C)(C)C	794996120	QZVWEMGXKDLAIJ-UONOGXRCSA-N	282.428	4.446	50	20	CIGD	
CCc1cnccc1C(=O)/C=C/c1cccc(CCl)c1	799892551	PGMMVLHYECEBHF-VOTSOKGWSA-N	285.774	4.279	50	20	CIGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)CCl)C(C)C)cc1	1116437654	LVQWHIVZRKEQQW-MLGOLLRUSA-N	281.827	4.252	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCCC12CCCCC2	1528060508	GQXHRHNHTSAIJR-UHFFFAOYSA-N	283.843	4.109	50	20	CIGD	
CC(C)(CBr)Cc1ccc(Cl)s1	85050319	OFOKRNQQLOVSPM-UHFFFAOYSA-N	267.619	4.365	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc2ccccc2o1	125406136	HUTMFDQUEDDTLD-LCYFTJDESA-N	267.328	4.345	50	20	CIGD	
Cc1cc(Br)ccc1/C=C(\C#N)c1ccccn1	177529023	BVWXUNBIGMEMRU-UKTHLTGXSA-N	299.171	4.217	50	20	CIGD	
N#C/C(=C/c1ccco1)c1nc2cc(F)ccc2s1	730261143	YCMJGWNFRZQXQK-TWGQIWQCSA-N	270.288	4.093	50	20	CIGD	
C=CCCCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425009	HHFNFQVDORSNCP-UHFFFAOYSA-N	285.299	4.010	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)c1cccc2ccccc12	786667815	AZAKETMCDHAZES-XDUBLRSXSA-N	291.350	4.304	50	20	CIGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(/C#N)c1ccccn1	787168030	HQPARLHYMYSBCC-IJYCUAFPSA-N	291.310	4.000	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1F	790231347	QDIXLXNYIAXEBR-ZSOIEALJSA-N	289.313	4.142	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc3occc3c2)n1	794685435	GQSKGFASHFCJGA-NTUHNPAUSA-N	266.325	4.262	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1	5747887	ZROWAQJVKXSQMW-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(C)s2)c1	48833115	JVEKYAGFEKOURK-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
C[C@H](CBr)CCc1nc2ccccc2s1	86826489	VBWGNJQNKWRXDF-VIFPVBQESA-N	284.222	4.260	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1	192537917	IILAVQRQPXTAGI-UVTDQMKNSA-N	290.278	4.405	50	20	CIGD	
FC(F)(F)C[C@@H](CBr)c1ccsc1	409425826	NFRSOPRSHRAAKM-ZETCQYMHSA-N	273.117	4.179	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	726428921	QINOOHXOZLLPTE-VKRGWIQLSA-N	265.715	4.001	50	20	CIGD	
O=C(CC1CCCC1)NN=Cc1ccc(Cl)cc1Cl	749451672	IXGCXVISTCRBQO-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
O=C(NNc1ccccc1)Nc1cc(Cl)cc(Cl)c1	758149296	PUFBEKYZIXVEHM-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(C)o1	783688144	UZIOZFZLIRAAGC-IZZDOVSWSA-N	291.759	4.401	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1	810217064	VSCDFEBIZANFAL-DHDCSXOGSA-N	281.742	4.438	50	20	CIGD	
N#C/C(=C\c1cccc2c1OCC2)c1nc(C2CC2)cs1	899345847	WPBBVTSZFNKVEJ-RIYZIHGNSA-N	294.379	4.020	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1ccccc1Cl	1083896596	NMJPTOOVUCGLSH-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cccs2)c1C	7210123	SKPXZZMNMXVMTL-GXDHUFHOSA-N	298.411	4.366	50	20	CIGD	
Cc1cccc(NC(=O)[C@@H](Br)C(C)(C)C)c1C	781066859	QDFCOVOXOFMHFL-GFCCVEGCSA-N	298.224	4.052	50	20	CIGD	
C[C@@H]1CC[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1	781089151	QMOPLMRKXXELMC-UPJWGTAASA-N	287.494	4.005	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1cccc(F)c1	785351208	MMAPHVVJNDXLHV-ATTDUZETSA-N	295.313	4.037	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)C1CCCCC1	790100701	SEBPLSJERYAZOD-XYOKQWHBSA-N	279.792	4.458	50	20	CIGD	
N#CC(C#N)=Cc1ccc(-c2ccc(Cl)cc2)s1	27121512	GOWAAERKNLGAQO-UHFFFAOYSA-N	270.744	4.499	50	20	CIGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1cccc(C#N)c1	728781924	APGWXIAXBNRYFL-OAHLLOKOSA-N	297.402	4.046	50	20	CIGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1cc(C)ccc1C	748429817	WEPHZNOELZIYRD-KRWDZBQOSA-N	296.414	4.015	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(/C#N)c1ccccn1	788730658	CKZORSDTQVKXBD-RAXLEYEMSA-N	268.747	4.362	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(F)c1F	853005825	LNUKDLIUEBXMCJ-MKVDPYIPSA-N	281.277	4.016	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863184995	SFRHDYHEDWFGIO-KZSPTFSBSA-N	287.306	4.289	50	20	CIGD	
CC(C)(C)OC(=O)NN=Cc1ccccc1-c1ccccc1	917531511	WPJWNARGDBLDRT-UHFFFAOYSA-N	296.370	4.212	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1C	206967132	WTJCMJKDUJNOFQ-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
C[C@@H](c1cc(Cl)ccc1Cl)N1CC=C(C#N)CC1	271007238	WUBFWNQBZWJCOQ-JTQLQIEISA-N	281.186	4.210	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)s1	731159779	VSYJZZRYHHMPPZ-FLIBITNWSA-N	261.390	4.223	50	20	CIGD	
CCC(=CC(=O)NNc1c(C)cccc1C(C)C)CC	812770089	GHSVFABQSBIRDV-UHFFFAOYSA-N	274.408	4.308	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](F)CC	1262695358	AAHHHDCSFOALDT-CYBMUJFWSA-N	294.395	4.071	50	20	CIGD	
FC(F)[C@H](CCBr)C1CCCCC1	1898225880	XHXSDJBKDZXADB-SECBINFHSA-N	255.146	4.233	50	20	CIGD	
N#C/C(=C\c1cccs1)C(=O)c1c[nH]c2ccccc12	36770171	FYVRPPZKOARWSU-DHZHZOJOSA-N	278.336	4.019	50	20	CIGD	
N#CC(C#N)=Cc1ccc(-c2ccccc2Cl)s1	58611656	OXGLRLIWMBAKOC-UHFFFAOYSA-N	270.744	4.499	50	20	CIGD	
CCCC[C@@](F)(CBr)c1ccccc1	396140384	AYVUUZCHTGUWEM-GFCCVEGCSA-N	259.162	4.437	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)cs1	588600724	JMBPPILQYXMWCU-BJMVGYQFSA-N	267.781	4.314	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)C1CCCCC1	767714399	PIVCWNHEGBUIEH-MDWZMJQESA-N	275.298	4.021	50	20	CIGD	
CCCCCC(CCCCC)=NN(C)C(=O)OC	794959422	CCHKAOWZCDWXFM-UHFFFAOYSA-N	256.390	4.201	50	20	CIGD	
O=C(NNc1ccccc1F)Nc1cccc(C2CCC2)c1	812993625	UOVWYJBRGWHQAZ-UHFFFAOYSA-N	299.349	4.242	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccnc(Cl)c1Cl	834420093	BIXPZTCFUWHJJR-XFFZJAGNSA-N	297.185	4.301	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C2CC2)cc1	840715338	ALXJFHLLHKSIRB-YUSFRKCESA-N	253.345	4.086	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1C	731156597	HXGWAIUBDURLCH-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc(C)c(C)s2)c1	741466895	GTFBSEDEESNKPD-NVNXTCNLSA-N	268.385	4.441	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2scnc2C2CC2)cc1	782350566	AJRWNDAWQBXQPX-RIYZIHGNSA-N	294.379	4.119	50	20	CIGD	
CCCN(N=C1CC[C@H](C)C[C@@H]1C)C(=O)OC(C)(C)C	794997298	WUBQFUPUVHUNLO-STQMWFEESA-N	282.428	4.446	50	20	CIGD	
Cc1ccoc1CN(C)CCO[Si](C)(C)C(C)(C)C	795160942	JWYQNOMHNOXWLA-UHFFFAOYSA-N	283.488	4.042	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC=C(c2ccco2)C1	796124781	UILGGOJBZQYOES-RQZCQDPDSA-N	294.329	4.072	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1	798179400	VPZCNKOKRCFWDM-KSQUNMIPSA-N	296.414	4.236	50	20	CIGD	
O=C(CCCC1CC1)NNc1cc(Cl)ccc1Cl	812525093	XIJBSAWEPILIST-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
C[C@@H]1CCCCCC1=NNC(=O)c1cc2ccccc2o1	844584400	SUGGFMIZGIQXAA-GFCCVEGCSA-N	284.359	4.119	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccccc2C)c1	1322945264	VTRBTZJLKJZZGO-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3o2)cc1	33692587	RPODTAZHLXAJIX-UVTDQMKNSA-N	260.296	4.200	50	20	CIGD	
Cc1cccc(NNC(=O)CC[C@H](C)c2ccccc2)c1	123350152	ILPONSOIWBOOFJ-HNNXBMFYSA-N	282.387	4.022	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1	211438751	YMNLXTRECUNUME-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CC(C)(C)CC(=O)NN=Cc1ccccc1-c1ccccc1	728429253	XFDJUPQSKBBFCB-UHFFFAOYSA-N	294.398	4.240	50	20	CIGD	
O=C(NN=C1CCC2(CC1)CC2)c1ccc2ccccc2c1	792629198	HSZQWPHZHMBSHP-UHFFFAOYSA-N	292.382	4.280	50	20	CIGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)C(C)(C)CC)c1	794951537	FPNZHIPFHYKWCU-RVDMUPIBSA-N	283.371	4.164	50	20	CIGD	
Cc1ccc(C)c(NC(=O)C2CCC(Cl)CC2)c1	1263696474	KULYXYKHSOMSGY-UHFFFAOYSA-N	265.784	4.040	50	20	CIGD	
ClCC1(Cc2ccc(Br)s2)CC1	85043283	YPFHKGDOGUKMSI-UHFFFAOYSA-N	265.603	4.072	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747689910	APJOMVKVWPUHMT-VMOJBDSFSA-N	290.366	4.271	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cn(C)c2ccccc12	807959983	INISNKDSDSBUEF-CYBMUJFWSA-N	299.418	4.110	50	20	CIGD	
Clc1ccccc1[C@@H](CBr)OCC1CC1	50480119	ONQZCOIESZIGIP-GFCCVEGCSA-N	289.600	4.203	50	20	CIGD	
CC(C)(CBr)Cc1c(F)cccc1Cl	85050174	IWMPIBCAPOBGKG-UHFFFAOYSA-N	279.580	4.443	50	20	CIGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)C1CCCCC1	128907957	JRKCNRUKDGAYFV-XFXZXTDPSA-N	275.298	4.021	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1C	191351171	IUECGBLUEJEJCS-MHWRWJLKSA-N	285.350	4.311	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@@H](c2ccccc2F)C1	750799586	ANQMOIGURJUNDO-DZGUVLCISA-N	292.357	4.180	50	20	CIGD	
N#C/C(=C\c1ccccc1F)c1cc(C(F)(F)F)ccn1	812248155	FSTXBYPVIBWULM-YRNVUSSQSA-N	292.235	4.304	50	20	CIGD	
C[C@H](c1ccc2ccccc2c1)N(C(=O)CCl)C1CC1	1323269877	QARHUIPUJISOOW-GFCCVEGCSA-N	287.790	4.131	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	1977602	GUJKFOGRLFDRCK-MDWZMJQESA-N	284.702	4.312	50	20	CIGD	
CC(C)c1ncc(/C=C(/C#N)c2nc3ccccc3[nH]2)s1	123336423	OZZGOWUSITYXQR-XFFZJAGNSA-N	294.383	4.207	50	20	CIGD	
O=C(NN=CC1CCCCCC1)c1cccc(Cl)c1	741838788	YSFJMHQFTGFZNH-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OC(F)F	794874660	MXEUJMDGFFGZII-FMIVXFBMSA-N	293.313	4.200	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(F)c1F	853005822	LNUKDLIUEBXMCJ-FKVCUQLRSA-N	281.277	4.016	50	20	CIGD	
CC(/C=C(/C#N)C(=O)c1ccccc1)=C\c1ccccc1	211390700	HTWNHNHWJNAGBE-MNPLYOLFSA-N	273.335	4.423	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2C)cc1	303290898	AUJXNBBVQBEUCY-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@H](c2ccccc2F)C1	750799598	ANQMOIGURJUNDO-WSLMLHKMSA-N	292.357	4.180	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3ncccc3c2)cc1	764917601	WPIWMJSAFDTUCM-PDGQHHTCSA-N	298.345	4.333	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)c2ccccc2c1	834421646	STWPCSIOCMHRNJ-YDRQLGOLSA-N	293.366	4.371	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCC[C@@H]2C[C@@H]21	838265748	WRYDTMHCWJROFO-ZOBORPQBSA-N	299.505	4.005	50	20	CIGD	
CC(C)CC[C@@H](NC(=O)CCl)c1ccc(Cl)cc1	1341509517	FTKOFDHIMJHHEZ-CYBMUJFWSA-N	288.218	4.172	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	726429821	WDRDEHKMURDXFB-OMJMQIJPSA-N	293.366	4.371	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(C)c1C	731158474	ASBUJWJDHVLFDZ-YBEGLDIGSA-N	255.361	4.216	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C(=O)O)cc2)n1	747440745	VFZYGVWXMJNBFR-NTUHNPAUSA-N	298.367	4.029	50	20	CIGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1cccc2ccccc12	747765098	VEODILBRFIQEOP-HNNXBMFYSA-N	294.398	4.382	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)CCC(C)(C)C)c1	755561991	BXIMFBDAEXJALL-AWEZNQCLSA-N	276.424	4.209	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	783707793	SCKVHISTYFRZFQ-BOPFTXTBSA-N	292.382	4.456	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1ccccc1F	834730423	XFJOMGVKJIBRQD-CLFYSBASSA-N	291.734	4.330	50	20	CIGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1c[nH]c2ccccc12	853259549	IGOSQKGDOXQEFQ-CYBMUJFWSA-N	295.386	4.020	50	20	CIGD	
CC[C@@H](C)O[C@H](CBr)c1ccccc1F	50480015	PSZQYUOYWIXDIM-BXKDBHETSA-N	275.161	4.077	50	20	CIGD	
CC1CCC(O[C@@H]2CCCC[C@H]2Br)CC1	50502749	XJRRQVIMNZEDCA-FIYWTHMPSA-N	275.230	4.288	50	20	CIGD	
Cn1c(/C(C#N)=C\c2ccc3c(c2)CCC3)nc2ccccc21	172815315	NMQWMYDCDNKVLP-ATVHPVEESA-N	299.377	4.126	50	20	CIGD	
N#C/C(=C/c1ccccc1)C(=O)c1ccc(F)c(Cl)c1	179604273	POCHDJNMPFUORC-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(C#N)cs2)c1	255777922	XMCVFMFSLYCWPA-VIZOYTHASA-N	292.363	4.027	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1C	741474874	SVSZHHZYKPDGKN-RIYZIHGNSA-N	284.384	4.141	50	20	CIGD	
CC(C)CC(=O)NN=Cc1sc2ccccc2c1Cl	744756143	PRDLUXXVGAVIKB-UHFFFAOYSA-N	294.807	4.051	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	753682367	FTJDKUINZHNGBV-KPKJPENVSA-N	279.742	4.391	50	20	CIGD	
COc1ccccc1/C=C(\C#N)C(=O)c1ccc(C)c(C)c1	809145830	GXHRPKPDHGFJGI-GZTJUZNOSA-N	291.350	4.102	50	20	CIGD	
COc1ccccc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	810216764	NUZNDADVWHXHQS-ZROIWOOFSA-N	297.741	4.138	50	20	CIGD	
CC[C@H](C)n1c(SC/C=C\C#N)nnc1-c1ccccc1	840193878	JBLJAXODDLZWAH-WSROAFLRSA-N	298.415	4.088	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc2ccccc2o1	11297157	XJQKQAIKEZCTQS-NTCAYCPXSA-N	296.370	4.036	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	172692211	BGZYXMMDUCADKK-OYGDSYQHSA-N	290.432	4.353	50	20	CIGD	
C[C@@](CBr)(CCOCc1ccccc1)C1CC1	306651576	GFGNCXIUPZOVDS-HNNXBMFYSA-N	297.236	4.405	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	727266743	DVQAULHRPLSHCX-ZMTLZGASSA-N	296.395	4.332	50	20	CIGD	
CC(C)C(=NNC(=O)CC(C)(C)C)C1CCCCC1	733901561	RAPRHIYGKQMUTG-UHFFFAOYSA-N	266.429	4.131	50	20	CIGD	
Cc1ccccc1CN(C)/C(=C/C#N)c1ccc(F)cc1	750600499	YWARHTZJOZJPPK-WOJGMQOQSA-N	280.346	4.131	50	20	CIGD	
C[C@@H]1C(=NNC(=O)c2ccc3ccccc3c2)CCC[C@H]1C	781122780	NEUCGMZLIOHUAR-KGLIPLIRSA-N	294.398	4.382	50	20	CIGD	
Cc1cc(COC(=O)/C(C#N)=C\c2ccccc2)c(C)s1	785352521	WWWCXGJPHKFMHW-DHDCSXOGSA-N	297.379	4.015	50	20	CIGD	
O=C(CCC1CCCCC1)NNc1ccc(Cl)cc1	866013126	FPZIDCTZOZMLRT-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
FC(F)(F)CO[C@@H]1CCCCCC[C@@H]1Br	158359286	NIQLDUDIXVZUQF-DTWKUNHWSA-N	289.135	4.052	50	20	CIGD	
CCCN(N=C1C[C@@H](C)C[C@H](C)C1)C(=O)OC(C)(C)C	794994980	BWLKTIITERKSPF-STQMWFEESA-N	282.428	4.446	50	20	CIGD	
C/C(C=C(C#N)C#N)=C\c1ccccc1C(F)(F)F	799889920	VIBNIHZUHRLIDQ-JXMROGBWSA-N	262.234	4.082	50	20	CIGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2ccccc2Cl)C1	1321067368	NTDVCVIRVIVIMD-GFCCVEGCSA-N	292.810	4.272	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(Cl)s2)n1	14179629	HLEYBHUKWVSGBI-XBXARRHUSA-N	266.778	4.231	50	20	CIGD	
CCc1ccccc1P(c1ccccc1)c1ccccc1	116946850	YGRARUNSCNUDNB-UHFFFAOYSA-N	290.346	4.007	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(O)c1	158388558	YXCHLWRAJLQCRM-ZDUSSCGKSA-N	297.445	4.045	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cscc1Br	794689958	FIQWPVBWKUPRKS-HMXLAXJASA-N	298.205	4.033	50	20	CIGD	
N#C/C(=C/c1nc(Cl)cs1)c1nc(C2CC2)cs1	843271354	BNTTYROWTMBEAW-BAQGIRSFSA-N	293.804	4.195	50	20	CIGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)C1CCCCC1	905072913	GODFQOIROWKKAQ-VBKFSLOCSA-N	290.366	4.291	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2C)ccc1F	1251640912	MIBYSPSHCQKNCS-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccccc2C)c1	212131146	CUSVTXCYSQEIII-WJDWOHSUSA-N	261.324	4.093	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	255166699	VLPTYCGGHGKOST-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
CC(C)[C@H](CCl)CCCOCc1ccccc1	306163491	YACAITSOWYLMBH-HNNXBMFYSA-N	254.801	4.494	50	20	CIGD	
CCCC(CCC)C(=O)NNc1c(F)cccc1Cl	770197208	QVEXFPOZBUGRBR-UHFFFAOYSA-N	286.778	4.139	50	20	CIGD	
CC(C)c1ncsc1NC(=O)c1cccc(CCl)c1	1337254897	XBVWVFYRXGYHDX-UHFFFAOYSA-N	294.807	4.258	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccs2)c1	48837585	NFBWFBHPYZTHOQ-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC	741469738	MLAONWRATRHGGI-JYVXZMADSA-N	291.778	4.261	50	20	CIGD	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1ccncn1	758917628	XPOPKMIBCWGBOI-WJDWOHSUSA-N	299.333	4.333	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)c1ccccn1	761377099	QBTGTPLEOIIRJV-VQHVLOKHSA-N	280.274	4.226	50	20	CIGD	
C[C@@H](c1cccc2ccccc12)N1CC=C(C#N)CC1	779589965	MCFUUHRKOZYGST-AWEZNQCLSA-N	262.356	4.056	50	20	CIGD	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)C1CCCC1	781552621	BCFWOXYTAAUUDT-LFIBNONCSA-N	283.371	4.140	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)OC2CCCCC2)c1	834744751	SWUXMMWTONNBNU-WJDWOHSUSA-N	283.371	4.086	50	20	CIGD	
C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCl)C1CC1	1323269879	QARHUIPUJISOOW-LBPRGKRZSA-N	287.790	4.131	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1ccc(F)cc1	195226935	VFOFKMFTOMECAY-YFHOEESVSA-N	291.734	4.330	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(F)cccc1F	212131216	DURDMWQWKSGASQ-XFXZXTDPSA-N	283.277	4.063	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(F)cccc1Cl	726594347	JRFWVULVEQVJDR-SBMLRHLQSA-N	265.715	4.001	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1cc2ccccc2o1	814867226	VQFOSOZNFDAMCK-UHFFFAOYSA-N	284.359	4.285	50	20	CIGD	
CCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	878639789	VHCXPQNGIHJPCJ-SNVBAGLBSA-N	297.729	4.254	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)C[C@H](C)O3)sc1C	899361033	RUIVIJIZZYYBKL-SOOGHKCXSA-N	296.395	4.148	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@]2(CC=CCC2)C1	1527716336	VIXOOVLLXVZTHT-VMBOVVBDSA-N	295.854	4.133	50	20	CIGD	
C[C@H](NC[C@@H](C)CBr)c1ccc(Cl)cc1	186378853	QKIMHUYDUAEOCG-UWVGGRQHSA-N	290.632	4.022	50	20	CIGD	
C[C@@]12CC3CC(C(=O)NNc4ccccc4)(C1)C[C@](C)(C3)C2	192757854	BZMQXZBWQZLNHO-KOCGSPDRSA-N	298.430	4.126	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Br)s1	263660847	JURYBQPYAPAZRI-GTUWVTDSSA-N	298.205	4.033	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	730149411	HWODQFPPVQIUFE-KWZJRMENSA-N	285.387	4.244	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)[C@@H](C)CCC)cc1	741470033	OXRXFKREMLGHPQ-QXPQOBGOSA-N	285.387	4.388	50	20	CIGD	
C=CCCC(=NNC(=O)c1cccc2ccccc12)C1CC1	747764629	PYOQRSVKSYVTRT-UHFFFAOYSA-N	292.382	4.302	50	20	CIGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1cc(C)ccc1C	748429819	WEPHZNOELZIYRD-QGZVFWFLSA-N	296.414	4.015	50	20	CIGD	
C=CC[C@H](CC)NC(=O)CCCC[C@H]1CCSS1	799035081	RZOADLQOUYGUJW-STQMWFEESA-N	287.494	4.171	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2ccc(C3CC3)cc2)c(C)c1	830791739	MNGBMBWZHXOIJX-UHFFFAOYSA-N	294.398	4.246	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1ccc2ccccc2n1	915932676	ZCOQIKNUWXMYGL-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
CCN(CC)c1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	48309070	FLMQFMBKXXOAKG-GDNBJRDFSA-N	297.427	4.362	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccccc2)c(C)c1	96766774	ZAHYKCQFTNLBAK-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
C[C@H](O[C@@H]1CCCC[C@H]1Br)c1ccccc1	251578603	VTAVNVJNHNTIGG-IACUBPJLSA-N	283.209	4.470	50	20	CIGD	
N#CC(C#N)=CNc1ccc(F)cc1-c1ccc(Cl)cc1	728500944	ADRIMGHDIVUTID-UHFFFAOYSA-N	297.720	4.489	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735618768	FVNKEDQTDXAFIO-WQLSENKSSA-N	279.368	4.305	50	20	CIGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1c(Cl)cccc1Cl	780640257	AALNYRSXTQVFFF-RKDXNWHRSA-N	289.206	4.119	50	20	CIGD	
CC1=C(C(=O)NNc2c(C)cccc2C(C)C)CCC1	794949720	RUHJJYYZLJXIFZ-UHFFFAOYSA-N	272.392	4.062	50	20	CIGD	
Cc1cc(C(F)(F)F)ccc1/C=C(/C#N)C(=O)C(C)C	840735093	OYLIGRSOMAUZNC-GHXNOFRVSA-N	281.277	4.146	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)c1ccccc1	921262201	PNNHINHPRGZIAL-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)s1	6958726	MMFIZDJXSDTHFB-RAXLEYEMSA-N	296.395	4.165	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	170933601	NRIJAQBALLOCLK-GXDHUFHOSA-N	297.379	4.245	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)c1cnc2ccccc2n1	588601374	WKCDPLNCUFFTEO-YFHOEESVSA-N	297.770	4.409	50	20	CIGD	
O=C(CCCc1ccccc1)NN=C1CCCCCCC1	727688644	CUENJDHEEPOURU-UHFFFAOYSA-N	286.419	4.226	50	20	CIGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)C1CCCC1	781553121	KUUWGLLRLRCVBD-FLIBITNWSA-N	277.726	4.145	50	20	CIGD	
CC(C)(C)OC(=O)NN=C1CCCCC12CCCC2	814692835	GWBMREBJFBKKHR-UHFFFAOYSA-N	266.385	4.002	50	20	CIGD	
Cc1coc(SCCO[Si](C)(C)C(C)(C)C)n1	821084296	MWQQHBLOUJXBOH-UHFFFAOYSA-N	273.474	4.097	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc2ncccc12	871660655	WXSAFMHIVBPPCN-JMRXEAOASA-N	278.355	4.147	50	20	CIGD	
O=C(CCl)Nc1cccc(CCCc2ccccc2)c1	1116437582	ISJZUYTXBGYRMW-UHFFFAOYSA-N	287.790	4.039	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC2CCCCC2)cc1	7765924	ZRFOBPUMZRZOQX-GZTJUZNOSA-N	283.371	4.026	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc(C)cs2)c1	211690121	LHHCSFGYUGUSIR-AUWJEWJLSA-N	254.358	4.133	50	20	CIGD	
CCCCC(C)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	252517016	YWGBUVCDRIWFQX-NSHDSACASA-N	292.448	4.169	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1coc2ccccc12	746519911	IAHCPISNWUFAMB-KAMYIIQDSA-N	296.370	4.036	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756783128	JFMLGRXDRQNOOE-KAQJVSAMSA-N	293.313	4.119	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cn1	764888318	WEZRFMNGGOFLTK-WUXMJOGZSA-N	295.342	4.203	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1C	767735698	HCRQWJZLDDBPHE-BOPFTXTBSA-N	267.372	4.360	50	20	CIGD	
O=C(C[C@H]1C=CCCC1)NNc1cc(Cl)ccc1Cl	779011492	WTVFNKNJWDDRDB-JTQLQIEISA-N	299.201	4.183	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc2c(c1)CCCC2	792884831	SFKZXRWTBBVRLY-GZTJUZNOSA-N	267.372	4.088	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)C(C)(C)C	812769655	RMTJZOHZOMTBNV-CYBMUJFWSA-N	276.424	4.244	50	20	CIGD	
O=C(CCl)C1=Cc2ccccc2Nc2ccccc21	2332240011	GDDZVPLCTNJVIB-UHFFFAOYSA-N	269.731	4.092	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1	60422098	GMQCQGWPZUIIDY-GZTJUZNOSA-N	291.350	4.102	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc3sccc3c2)c1	748362576	PZMFQPIIENYZFK-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CC[C@@H](C)CC(=O)NNc1c(Cl)cc(F)cc1Cl	790836655	LVFFRTQGIHJIJE-SSDOTTSWSA-N	293.169	4.012	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc(C2CCC2)s1	794875482	WNYBGDZLDGTHJL-XYOKQWHBSA-N	288.416	4.323	50	20	CIGD	
CC(C)C[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	121147548	HDBGZCMRPSYLTO-CHWSQXEVSA-N	289.510	4.251	50	20	CIGD	
CC(C)CCOC1CCN(/C(=C\C#N)c2ccccc2)CC1	255728938	DYGBAKMMNLOPDB-UWVJOHFNSA-N	298.430	4.078	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1cccc(C#N)c1	728781795	YZKXORYNZBXAAN-UHFFFAOYSA-N	285.391	4.024	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	794873151	BNOQCJYXTFYVRF-XFFZJAGNSA-N	279.742	4.391	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1	794876352	DSPTZJIBORDSED-XFXZXTDPSA-N	261.752	4.252	50	20	CIGD	
CCCN(N=Cc1ccc(F)cc1C)C(=O)OC(C)(C)C	794997826	GLWHBAOBNLKRNO-UHFFFAOYSA-N	294.370	4.115	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc3c(c2)CCC=C3)c1	802826980	OIVYGZMCQDMUOE-UHFFFAOYSA-N	292.382	4.020	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccnc2ccccc12	905075208	SXRNCNBXWSSUQW-WZMONFQBSA-N	278.355	4.147	50	20	CIGD	
FC(F)[C@@H](CCBr)C1CCCCC1	1898225881	XHXSDJBKDZXADB-VIFPVBQESA-N	255.146	4.233	50	20	CIGD	
N#C/C=C(\Cl)c1ccc(Br)c(Cl)c1	388379414	JSLWDBOZZLJZQW-BAQGIRSFSA-N	276.948	4.206	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	794875714	XTIRDQSJIFPZPL-GDNBJRDFSA-N	297.398	4.312	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccoc1Cl	812768845	JGXSNBFNZKHEJI-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CCCCCCCC(=O)NNc1ccc(C)c(Cl)c1	1317807455	HXEMKHQCNNZDFH-UHFFFAOYSA-N	282.815	4.452	50	20	CIGD	
Fc1ccccc1[C@@H](CBr)OC1CCCC1	50480419	BECTXIZDHNEEHC-CYBMUJFWSA-N	287.172	4.221	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccccc1C	212130082	LJUKIYZISFIFFM-VBKFSLOCSA-N	291.350	4.184	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1F	759645516	YXOPESOKVPZPIW-FKVCUQLRSA-N	265.715	4.001	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)s1	763114575	PWMNPTMCAQLSAZ-DHZHZOJOSA-N	295.367	4.006	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	774557966	HAUZMAWWIOXIFH-DHDCSXOGSA-N	296.301	4.415	50	20	CIGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1ccccc1	783773622	NLWQYJCJFCVSSF-UHFFFAOYSA-N	298.773	4.003	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)s1	810216830	PRBSRZVALLYEIT-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
N#C/C(=C/c1ccsc1)c1cc(C(F)(F)F)ccn1	812248911	UJBDAYNTYAFSTQ-YHYXMXQVSA-N	280.274	4.226	50	20	CIGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1C	834921068	RAJMXPOHRPKCAW-TZMCWYRMSA-N	297.402	4.100	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CCC2CCCCC2)c1	857831188	YQGKVYGIMHYNEL-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CCC1(CNC(=O)CCCC[C@H]2CCSS2)CC1	178198948	GOLFHQSBDBQUIE-LBPRGKRZSA-N	287.494	4.007	50	20	CIGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)c2ccccn2)c1	255122850	FGIFTNKPTXDCAF-LCYFTJDESA-N	286.281	4.056	50	20	CIGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1cccc2ccccc12	741465840	WNVZWEUIADCFML-CYBMUJFWSA-N	280.371	4.158	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(C)c(C)s2)c1	741468998	ZKQWRKOREOHKRA-OVCLIPMQSA-N	268.385	4.441	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(C)c1C	741475261	WVCZHVYETKGRGK-BVTUPMQUSA-N	255.361	4.216	50	20	CIGD	
CCC1CCC(=NNC(=O)c2ccc(Cl)cc2F)CC1	747643831	QWBAUWPPAKKVNK-UHFFFAOYSA-N	296.773	4.165	50	20	CIGD	
CCCCCC(=O)NNc1cc(Cl)ccc1Cl	752811534	OSEDLFRZQXDIEJ-UHFFFAOYSA-N	275.179	4.017	50	20	CIGD	
CC(C)c1ccccc1NC(=O)NNc1ccc(F)cc1	758157240	SULLHZOXJYJRPK-UHFFFAOYSA-N	287.338	4.098	50	20	CIGD	
CC[C@H](C)Oc1cccc(NC(=O)NNc2ccccc2)c1	762237637	UOEXCYQKLZJFCL-ZDUSSCGKSA-N	299.374	4.013	50	20	CIGD	
CCC[C@H](C=NNC(=O)c1ccccc1C)c1ccccc1	769569139	DOVGHBGIOWHAOR-QGZVFWFLSA-N	294.398	4.295	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1F	785363842	RGARUEKKPQBGTH-WZMONFQBSA-N	295.313	4.037	50	20	CIGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CC12CCCC2	791739135	FEPOVKIZBDZAMQ-LBPRGKRZSA-N	299.201	4.017	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1ccccc1	794863897	ACVQRSLTVVIPOP-XNTDXEJSSA-N	283.277	4.414	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccsc2)cc1C	809146387	OUZIJNFJLMICPH-OVCLIPMQSA-N	267.353	4.155	50	20	CIGD	
CC(C)(CCl)Cc1sccc1Br	85042824	CGONHHRMSLDKPK-UHFFFAOYSA-N	267.619	4.318	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	171020042	MMEQUQRMBJEDEX-WQLSENKSSA-N	281.277	4.228	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)cc(F)c2)s1	179178441	LAMXCHTZNZCMRP-WCIBSUBMSA-N	289.306	4.125	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	588597755	XWINRMJZNHZZNL-NSIKDUERSA-N	283.277	4.063	50	20	CIGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)c1cccc(Cl)c1	748997458	DVRJWFXZTWUDOW-XFFZJAGNSA-N	298.754	4.063	50	20	CIGD	
Cc1cccc(NNC(=O)CCC(C)(C)c2ccccc2)c1	754451342	NYCQTPJNWRPCQZ-UHFFFAOYSA-N	296.414	4.196	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCCC2)c(C)n1C1CC1	767714582	RJPHOBNPQBFRGR-GZTJUZNOSA-N	296.414	4.496	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)[C@H](C)CC)c1	773915947	RYCRUARNYDYHSO-KWWJGWKXSA-N	255.361	4.161	50	20	CIGD	
Cc1cc(N(C)C)ccc1/C=C(/C#N)c1nc(C)c(C)s1	840716181	JOUJDAQNYXJZHW-DHDCSXOGSA-N	297.427	4.199	50	20	CIGD	
N#C/C(=C\c1ccc(C2CC2)cc1)C(=O)C1CCCC1	840722207	YEJIAGKQYPHDOA-GZTJUZNOSA-N	265.356	4.230	50	20	CIGD	
O=C(NN=CC1CCCCC1)c1ccc(Cl)cc1Cl	916360105	HFCAXRXEAUWJOF-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)c1ccco1	16882421	MYQAPGSAJJBSBA-YRNVUSSQSA-N	291.228	4.088	50	20	CIGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1	63278871	IYBXUCYEMNCWOH-VBKFSLOCSA-N	295.382	4.001	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127711410	ZFGNUBJCRSPNLD-GZTJUZNOSA-N	290.366	4.271	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H]1c1ccsc1	750791077	CWZIZYLRTLKKER-SOQAFLNVSA-N	280.396	4.450	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)C(=O)C1CCCC1	758039346	JUCLCATWDSWTMY-LGNNCPJNSA-N	287.309	4.187	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776719787	AUZVFLHHGDVUHL-CGYDICSFSA-N	279.742	4.391	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1	794875547	XFLUHVAQXXDZEL-XYOKQWHBSA-N	291.778	4.261	50	20	CIGD	
CCCN(N=CC(CC)CC)C(=O)OC(C)(C)C	794996973	MDAIKDTXHPZUML-UHFFFAOYSA-N	256.390	4.056	50	20	CIGD	
C[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1ccsc1	808757029	CDXKYJZHXAXPNK-GFCCVEGCSA-N	285.529	4.421	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863177688	UTQIRVZRNMRYGD-RMKNXTFCSA-N	287.306	4.289	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	6781284	OVESGAWBWFKICJ-XFFZJAGNSA-N	281.277	4.228	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	32108351	RKHPOCFGPXNTNF-RIYZIHGNSA-N	254.358	4.133	50	20	CIGD	
CC[C@H](CC(=O)NNc1ccc(C)cc1)c1ccccc1	158904310	GRBUGPRHMWVAIY-OAHLLOKOSA-N	282.387	4.022	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	255630959	CXGBPXNPHPVJTC-WQLSENKSSA-N	288.416	4.323	50	20	CIGD	
C=C(CBr)CN[C@@H]1CCCCC12CCCC2	309586643	VZWNBEPLKZRRDG-CYBMUJFWSA-N	286.257	4.030	50	20	CIGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(F)cc1F	743336621	MBKNATINBIIJDI-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
Cc1ccc2nc(C(C)(C)CCCCCl)nc(O)c2c1	766290338	WFROAHNBKMRYPK-UHFFFAOYSA-N	292.810	4.331	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1	772177719	AHIXOBVNZKBUSJ-UUASQNMZSA-N	297.304	4.372	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1cc2c(s1)CCC2	814738886	RMQSIVAMDGFTCK-UHFFFAOYSA-N	290.432	4.089	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccsc2)c1C	212097138	JLXUAYYBVSUVSL-DHDCSXOGSA-N	298.411	4.366	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1csc2ccccc12	255912019	FTVRGSHRGDBCHT-WQLSENKSSA-N	269.369	4.423	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1Cl	741470592	SFTNIRYSWBYIST-KWJWQAOWSA-N	261.752	4.252	50	20	CIGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1cccc(Cl)c1	834733631	QOUHWQKHKBOFNG-NVNXTCNLSA-N	292.725	4.002	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(SC)s1	840717429	UZZKDUMQAKHIHZ-MXBGMFSPSA-N	279.430	4.382	50	20	CIGD	
CCn1cccc1/C=C(/C#N)c1nc(C(C)C)cs1	840736251	WPYYLNUNRKPQSY-WQLSENKSSA-N	271.389	4.152	50	20	CIGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCCCC#N	844347266	JAYLKUWIBKOCRR-HNNXBMFYSA-N	296.531	4.166	50	20	CIGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	8120725	GDYKJLAZPAKIFJ-SDNWHVSQSA-N	295.363	4.051	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)cccc2F)s1	105570923	GUFVKNTYWVWRPV-YFHOEESVSA-N	289.306	4.125	50	20	CIGD	
Cc1cc2c(O)nc(C(C)(C)CCCCCl)nc2s1	766287698	HGDBVLGVRVKENN-UHFFFAOYSA-N	298.839	4.392	50	20	CIGD	
Cc1ccc([C@@H](C)N(C)C[C@H](C)CBr)cc1	770647719	LKOTWEXZRIQSKI-CHWSQXEVSA-N	284.241	4.019	50	20	CIGD	
C/C(=C\c1ccco1)C(=O)NNc1ccc(C(C)(C)C)cc1	847693822	ZHPRSMDSMIUNSJ-OUKQBFOZSA-N	298.386	4.124	50	20	CIGD	
CN(N=Cc1ccc(C(C)(C)C)cc1)C(=O)OC(C)(C)C	920381695	XADNPYGMQNJOLN-UHFFFAOYSA-N	290.407	4.185	50	20	CIGD	
C=C(C)CN(CC)C(=O)CCCC[C@H]1CCSS1	42034571	ZEVZJTCPMDIGCT-ZDUSSCGKSA-N	287.494	4.125	50	20	CIGD	
Cc1ccc(NNC(=O)c2cc(Cl)ccc2Cl)cc1	120462089	MPIBKSMAYHUMMS-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CC2CCC1CC2	371383868	PXOHDNCSUROWDO-RUXDESIVSA-N	299.505	4.102	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1ccccc1F	750894926	YUKPUJDSEGLCLW-UKTHLTGXSA-N	283.277	4.063	50	20	CIGD	
COc1ccc2oc(/C=C(\C#N)C(=O)CC(C)(C)C)cc2c1	763283501	MQZBRHOJUCPOGN-UKTHLTGXSA-N	297.354	4.354	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cn(C)c2ccccc12	915955619	HUHGSEQNHUBSAM-ZDUSSCGKSA-N	299.418	4.110	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1c(F)cccc1F	7211093	DURDMWQWKSGASQ-FMIVXFBMSA-N	283.277	4.063	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	11297315	WFDJGUPKXIQCMO-XYOKQWHBSA-N	287.771	4.500	50	20	CIGD	
Br[C@H]1CCCC[C@@H]1OC1CCCCCC1	50503061	CHZJNVXRUZWYCW-STQMWFEESA-N	275.230	4.432	50	20	CIGD	
CC(C)CCO[C@]1(CBr)CCC[C@H](C)C1	71125333	MSCKEERKBORHRI-QWHCGFSZSA-N	277.246	4.393	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)c1nc2ccccc2n1C	120741022	FEHXADXWIZZBLI-PTNGSMBKSA-N	287.366	4.254	50	20	CIGD	
Cc1nc(-c2cccc(C(F)(F)F)c2)oc1CCl	394542872	VMCXFSFFAQKYEK-UHFFFAOYSA-N	275.657	4.408	50	20	CIGD	
FC(F)(F)C[C@@H](CBr)Cc1ccccc1	396906092	FEUYPDNELKLFPH-JTQLQIEISA-N	281.115	4.193	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)o1	588597383	ITPKXGNMQLKUAZ-FPODFMBDSA-N	295.313	4.332	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)s1	588597780	YYPFUBIYJMGNAV-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1F	729151192	STQQVXGZFCCURL-UKTHLTGXSA-N	283.277	4.063	50	20	CIGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1cc2ccccc2o1	749832685	WITAMACBHNKGLF-LBPRGKRZSA-N	298.386	4.365	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	764892645	XUUUVDVECJOHOU-XNTDXEJSSA-N	281.742	4.438	50	20	CIGD	
CC(C)(C)CCCCC(=O)NNc1c(F)cccc1F	804467083	YAAOPXOVPWGHJB-UHFFFAOYSA-N	284.350	4.014	50	20	CIGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)c1sccc1C	915990085	JOOFGQCXXGGJOK-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)CC(C)(C)C)c1	921270631	WDUDEIQJAWVBLO-OQLLNIDSSA-N	285.387	4.386	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1csc(C2CC2)n1	1321993415	IZQQQUSFZZIMMN-MDWZMJQESA-N	294.379	4.119	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)s1	33472329	RVFHTTQSMAWJMR-XFXZXTDPSA-N	279.368	4.007	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1C#N	766289808	LCELFQHXJGOUAM-OVCLIPMQSA-N	292.363	4.027	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CC[C@H](c2ccccc2)C1	814764575	BXNZPIPTSQQBTO-INIZCTEOSA-N	292.382	4.049	50	20	CIGD	
Cc1ccccc1C(=O)NN=Cc1ccc(C2CCC2)cc1	814764991	MHHLRKJHJQPRKG-UHFFFAOYSA-N	292.382	4.026	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1ccccc1F	11295219	HDARVUUHJXXIKL-JLHYYAGUSA-N	291.281	4.362	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccc(F)cc1	212693167	KCTSJMYFVSRDCF-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)(F)F)cc1	726594340	JMVGVALHTVDJRQ-MJWAUXSNSA-N	297.276	4.107	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)c(F)c3)[nH]c12	735619698	PIQYDHYHXVLNJL-KPKJPENVSA-N	295.292	4.214	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1C#N	766289807	LCELFQHXJGOUAM-NVNXTCNLSA-N	292.363	4.027	50	20	CIGD	
COc1cccc(C(=O)/C=C/c2cccc(CCl)c2)c1	799889330	MPITZKYWOHHKPY-CMDGGOBGSA-N	286.758	4.330	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCSc1cccnc1C#N	848438586	KKEJIMRUJWEGLV-UHFFFAOYSA-N	294.496	4.067	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccccn2)ccc1Br	173956295	VGOWZDUPKPMHIV-UKTHLTGXSA-N	299.171	4.217	50	20	CIGD	
CC(C)(C)OC(=O)NN=C1CC(c2cccc(Cl)c2)C1	753922018	NVYWSRBFSFCXHS-UHFFFAOYSA-N	294.782	4.098	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1C	764888299	VXCLBQXUMWHVJR-GZTJUZNOSA-N	291.350	4.102	50	20	CIGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)C2CCCC2)c1	781555152	DDIKHHSWMDPEDT-YBEGLDIGSA-N	283.371	4.140	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)C[C@@H](C)c1ccccc1	799759255	KWSRNAJXHJSESX-OAHLLOKOSA-N	296.414	4.194	50	20	CIGD	
N#C/C(=C\c1ccc(OCCCCl)cc1)c1ccccn1	811685220	MHULNSZZHRRSTO-NTCAYCPXSA-N	298.773	4.153	50	20	CIGD	
CC(CC1CCCC1)=NNC(=O)c1ccc(Cl)cc1F	752730578	CKYZLSDOYDMMKG-UHFFFAOYSA-N	296.773	4.165	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cscc1Cl	771840413	ZTWARFCHSLIXHL-YHYXMXQVSA-N	267.781	4.314	50	20	CIGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)c1ccoc1	798230121	MACMJNKYZPBPMI-LICLKQGHSA-N	273.291	4.223	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)c2ccoc2)c1	806557456	SMBBHQSXQJVUID-YBEGLDIGSA-N	265.312	4.022	50	20	CIGD	
O=C(/C=C/c1ccc(OCCCCl)cc1)c1ccco1	811692450	FWWIWJVVJTUUSV-RMKNXTFCSA-N	290.746	4.183	50	20	CIGD	
COc1ccc(C)cc1/C=C(/C#N)c1nc(C2CC2)cs1	843272699	MQFAAJFMDWCXHB-ZSOIEALJSA-N	296.395	4.402	50	20	CIGD	
N#C/C(=C/c1ccccc1OC1CCCC1)c1ccccn1	66405290	UOZYHRFQHONXJA-SSZFMOIBSA-N	290.366	4.467	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cc3cc(C)ccc3o2)c1	129266826	LZQWKQVJOZBGNK-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(Cl)c1	192755030	ROGSPBHFDSZDIP-GHXNOFRVSA-N	271.703	4.031	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1cccc(F)c1	588597342	KFYXYWTYLGBNNY-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)c1ccc(C)s1	729820343	NYEGJMDOCQCFDH-NTEUORMPSA-N	297.379	4.163	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1C	741474899	UBHJIHJBQHFVIS-ZECSTPGPSA-N	259.324	4.046	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1)c1nc2ccccc2[nH]1	747698047	FZBVUBGTENRGDP-KHCPYNEOSA-N	289.313	4.322	50	20	CIGD	
CC[C@@H]1CCCC1=NNC(=O)c1cccc2ccccc12	758378108	JZLJMJCZZGELDQ-CYBMUJFWSA-N	280.371	4.136	50	20	CIGD	
CCC[C@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	767407267	MSJNWTSYPIZAQN-ZETCQYMHSA-N	293.169	4.012	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	767712055	BICZXLMASTUZKE-CAXXOGMASA-N	265.715	4.001	50	20	CIGD	
Cc1ccc([C@@H](C)N(C)C[C@@H](C)CBr)cc1	770647721	LKOTWEXZRIQSKI-QWHCGFSZSA-N	284.241	4.019	50	20	CIGD	
C=C(CBr)CN1CCCCC[C@@H]1c1ccco1	791461440	UZBXLYBSQZDIKN-CYBMUJFWSA-N	298.224	4.148	50	20	CIGD	
CC1(C)CC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	805243732	RELJCVIEQSSVTL-VXGBXAGGSA-N	287.494	4.005	50	20	CIGD	
N#C/C(=C/c1ccc(C#N)cc1)c1cc(C(F)(F)F)ccn1	812248250	HYICULJTEJAWRT-QPEQYQDCSA-N	299.255	4.036	50	20	CIGD	
CCO[C@H](C)c1nccn1CCO[Si](C)(C)C(C)(C)C	840204613	YGQDPUWDRWNXNG-CYBMUJFWSA-N	298.503	4.002	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1c[nH]c2ccccc12	917565406	PFMMLIKTRDARMN-UHFFFAOYSA-N	285.391	4.244	50	20	CIGD	
CC[C@@H](CBr)c1ccccc1Br	86370086	HUHMRSDZEHETLJ-QMMMGPOBSA-N	292.014	4.338	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccccc2)c1	96663078	MWYHRXVTOWMJMZ-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3c(F)cccc3F)[nH]c12	735619884	RRUORTZZMGOYCY-FLIBITNWSA-N	295.292	4.214	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1Cl	766291344	YCBLITGDGXJKTN-RIYZIHGNSA-N	273.763	4.315	50	20	CIGD	
CC[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1	785360332	AHRZWRIDFXEUKM-FDWYHIAWSA-N	291.350	4.288	50	20	CIGD	
CC[C@H](C)CC(=O)NNc1c(Cl)cc(F)cc1Cl	790836661	LVFFRTQGIHJIJE-ZETCQYMHSA-N	293.169	4.012	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cc(C)c3ncccc3c2)n1	797405641	CQCOEGDKHCONIG-NVNXTCNLSA-N	291.379	4.372	50	20	CIGD	
CSSCCNC(=O)c1ccc(C2CCCC2)cc1	810720367	JCCYLLAEQZINPA-UHFFFAOYSA-N	295.473	4.085	50	20	CIGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1CC2(CCC2)C1	843865448	NOFXPYQAEJAALI-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)ccc1Cl	863182517	OUXFYAFFEPMGNB-GHXNOFRVSA-N	291.778	4.261	50	20	CIGD	
Cc1ccc(NC(=O)NNc2c(C)cc(C)cc2C)cc1	916645455	FCWPVKBMTQMANX-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	171019790	OVINXJRLGGLHKH-WDZFZDKYSA-N	265.715	4.001	50	20	CIGD	
CC1(C(=O)NNc2cccc3cnccc23)CCCCCC1	182288430	WCBQNXNNRLNISZ-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(Cl)c1F	255391102	ZDSDGVIZNQGODY-XFFZJAGNSA-N	289.693	4.170	50	20	CIGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)c1ccccc1	741840212	KMWVAPVUCFFKPU-GXDHUFHOSA-N	291.281	4.362	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1ccc(F)cc1	755584057	IWJNDUWZNGRGGY-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
C[C@H](C(=O)NNc1c(Cl)cccc1Cl)C(C)(C)C	763616502	SBCXOHZLKWZKSL-MRVPVSSYSA-N	289.206	4.119	50	20	CIGD	
CC1(C(=O)NNc2ccc(Cl)cc2)CCCCCC1	781431399	PWHBMCUGRAPJDC-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccccc2)s1	806564813	CONIIHBMDSDIKC-XFXZXTDPSA-N	285.393	4.260	50	20	CIGD	
Cc1cc2cc(/C=C(/C#N)C(=O)C(C)(C)F)oc2cc1C	834447789	SCSKZYZZGSMQJS-JYRVWZFOSA-N	285.318	4.274	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)CC(C)(C)C)c1	918712957	DZDHCZXOOCUOQJ-OQLLNIDSSA-N	255.361	4.216	50	20	CIGD	
CCSCC[C@@H](C)N(C)C(=O)c1cccc(CCl)c1	1262612094	RPISTMNFLIJRFJ-GFCCVEGCSA-N	299.867	4.029	50	20	CIGD	
CC(C)c1ccc(NC=C(C#N)C#N)c(C(C)C)c1	32584704	FPKSXTSXLHNWRN-UHFFFAOYSA-N	253.349	4.276	50	20	CIGD	
Br[C@@H]1CCCCCC[C@@H]1OC1CCCC1	158122768	KGVJMVYIQLWORP-OLZOCXBDSA-N	275.230	4.432	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)C(C)(C)c2ccccc2C)c1	178987583	DXCJWJXBHRTGPY-UHFFFAOYSA-N	296.414	4.033	50	20	CIGD	
CC[C@@H](Cl)c1nc(O)c2c(n1)sc1ccccc12	780155198	XXHISKDDCLMADX-MRVPVSSYSA-N	278.764	4.240	50	20	CIGD	
N#Cc1ccccc1C(=O)/C=C/c1cccc(CCl)c1	799894451	VIZGZXLPHLWHNX-CMDGGOBGSA-N	281.742	4.193	50	20	CIGD	
N#C/C(=C/c1cccc(O)c1Cl)C(=O)C1CCCCC1	834430786	YRVPYGPQNBQCFJ-LCYFTJDESA-N	289.762	4.102	50	20	CIGD	
CC(C)[C@@H](C)N(C)C(=O)CCCC[C@H]1CCSS1	915079928	IZFGVRLMIYWPOC-OLZOCXBDSA-N	289.510	4.203	50	20	CIGD	
Cc1ccccc1[C@@H](NC[C@H](C)CBr)C1CC1	1320341498	BBLJRLLTASKMFQ-ABAIWWIYSA-N	296.252	4.067	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1	33377471	FUOYBZJZRHZPAM-VBKFSLOCSA-N	287.366	4.200	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CCC(c2ccccc2)CC1	749449870	OHDGAGFAGGOSBR-UHFFFAOYSA-N	298.430	4.397	50	20	CIGD	
C=CCC[C@@H](NC[C@H](C)CBr)c1ccccc1	770666328	LDRPBGFIHNHYCY-UKRRQHHQSA-N	296.252	4.315	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776720064	GVZUUVNREXAFTH-AXNBSVLLSA-N	265.715	4.001	50	20	CIGD	
N#CC(C#N)=CN[C@@H](c1ccccc1)c1cc2ccccc2o1	78262420	NONWIDWDDIKEDK-IBGZPJMESA-N	299.333	4.043	50	20	CIGD	
C[C@@H]1CCC[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950284	OOPHENUKJOAQLG-OCCSQVGLSA-N	256.462	4.156	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)c2nc(C)cs2)c1	588507228	ZOANDHLJQGTKNT-DHDCSXOGSA-N	268.385	4.468	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	731784318	KMFNITADPXJMJW-CABCVRRESA-N	288.435	4.291	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1OC(C)C	741474867	SMFVBRWGLBNPQN-LUYJPIOASA-N	285.387	4.386	50	20	CIGD	
O=C(NNc1cc(Cl)ccc1Cl)Nc1ccccc1	751992702	RWDHLSWRENBWGM-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)C1CCCC1	811627965	JIPJKGSWGZVKQR-YHYXMXQVSA-N	299.317	4.433	50	20	CIGD	
CC(C(=O)NNc1ccc(C(C)C)cc1)=C1CCCC1	837054342	PMICIJMIWQHATD-UHFFFAOYSA-N	272.392	4.144	50	20	CIGD	
CCCN(N=C(CC)[C@@H]1C[C@@H]1C)C(=O)OC(C)(C)C	841636489	LRSGYVZAFHXKDW-NWDGAFQWSA-N	268.401	4.056	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)C1CCCCC1	128847051	PIVCWNHEGBUIEH-JYRVWZFOSA-N	275.298	4.021	50	20	CIGD	
C=C[C@](C)(CBr)CCOCc1ccccc1	307062611	MSEMSZBUWFCYCH-AWEZNQCLSA-N	283.209	4.181	50	20	CIGD	
CC(C)c1ccc([C@@](C)(F)CBr)cc1	409425625	AVUCGPXQORELJH-LBPRGKRZSA-N	259.162	4.390	50	20	CIGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cccc(Cl)c1	733949848	AZXIDUWPQIZLRS-ZDUSSCGKSA-N	294.826	4.390	50	20	CIGD	
CCN(C(=O)CCCC[C@H]1CCSS1)C1CCC1	737868054	REKWCKXLQCGTEB-ZDUSSCGKSA-N	287.494	4.102	50	20	CIGD	
CC[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	758372406	NHNVZFOOAXQIEM-CYBMUJFWSA-N	280.371	4.136	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1	810216917	SHVRNBSPISARJR-ZROIWOOFSA-N	297.741	4.138	50	20	CIGD	
CC[C@@H](C)N(CC)C(=O)CCCC[C@H]1CCSS1	855149018	RLBLVPBGKOOTGS-OLZOCXBDSA-N	289.510	4.348	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccccc2Cl)c1	21191692	MMEFCOXIUYIDLA-NTEUORMPSA-N	297.741	4.138	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	32116150	IVRZWCOWCMOEJC-OQLLNIDSSA-N	268.385	4.387	50	20	CIGD	
C[C@@H](c1cccs1)N(C)C(=O)c1cccc(CCl)c1	37833491	NMEZQWYPDHYOIP-NSHDSACASA-N	293.819	4.320	50	20	CIGD	
C[C@@H]1CCC[C@](CBr)(OC2CCCC2)C1	50503512	BGENQGJSXSOBQK-YPMHNXCESA-N	275.230	4.289	50	20	CIGD	
CCCCN(CC)C(=O)CCCC[C@@H]1CCSS1	101693296	SOSKESFDDQJCEL-CYBMUJFWSA-N	289.510	4.349	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(O)c1	158388412	YXCHLWRAJLQCRM-CYBMUJFWSA-N	297.445	4.045	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)O[C@H]1C=CCCC1	733412285	QCQRKOBJAOGKEN-QWHCGFSZSA-N	286.462	4.352	50	20	CIGD	
C[C@@H](Oc1ccccc1NC=C(C#N)C#N)c1ccccc1	734414307	DQKNYQSPYHUBCP-CQSZACIVSA-N	289.338	4.170	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	759035406	PCQUGBYEHSNDBS-VSXLWIIGSA-N	267.328	4.263	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)C(=O)c1ccccc1	794689362	BBXVRYJFDQGTEV-OQLOTXMNSA-N	295.288	4.311	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NC1(C2CCC2)CC1	846478517	SYHGEBDBACFPDI-ZDUSSCGKSA-N	299.505	4.149	50	20	CIGD	
CC[C@H](C)O[C@@H]1CCCCCC[C@@H]1Br	158063070	WGNYMVGKNBRQLE-SDDRHHMPSA-N	263.219	4.288	50	20	CIGD	
CC[C@@H](CBr)CCOCc1ccccc1	306294938	YKGUXEVHWWPGIS-GFCCVEGCSA-N	271.198	4.014	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814188574	OBFGPJPNGUGMJF-GHNGBXSKSA-N	297.398	4.301	50	20	CIGD	
O=C(NNc1cccc(Cl)c1Cl)C1CC2(CCC2)C1	843906134	FYATVYMFAVKFEZ-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
Cc1ccccc1C=NNC(=O)c1ccc(C(C)(C)C)cc1	254499264	ZXTLVRYNUUBORB-UHFFFAOYSA-N	294.398	4.056	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cc3cccc(C)c3o2)c1	748379869	FHEAXOWRQBUZDE-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(C)cc1	749203690	XQKWAKUMBCMOCW-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccsc2Cl)cc1	790101399	YEEBUFBJSMPIBC-JYRVWZFOSA-N	287.771	4.500	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccsc1Cl	790220700	UVYRZVRXUMUQJX-MKVDPYIPSA-N	267.781	4.314	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2F)cc1C	809146667	RTXBAJBMZZQEAK-NVNXTCNLSA-N	297.304	4.372	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2ccncc2s1	849178022	FJBCQMMVKXSDRP-MDWZMJQESA-N	284.384	4.209	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2ccncc2s1	849180087	WTTXGNHHSCHLMI-XYOKQWHBSA-N	284.384	4.209	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1ccc(Cl)cc1	917565576	OBSWRORGGFHFIU-UHFFFAOYSA-N	280.799	4.416	50	20	CIGD	
COc1ccccc1/C=C(/C#N)C(=O)c1cc(C)cc(C)c1	124824387	GQZOQJVZLUSWBA-BOPFTXTBSA-N	291.350	4.102	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2oc3ccccc3c2C)c1	127543693	FPMLBNLQZOIEMW-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)c1ccccn1	178296341	BXHFFJBBFYIZJQ-UKTHLTGXSA-N	281.384	4.260	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1Cl	193743257	QYQTZIQNFIQQKU-QPEQYQDCSA-N	285.730	4.340	50	20	CIGD	
ClCc1c(-c2ccoc2)n[nH]c1C1CCCC1	409439243	HQWZLRYZPHUSDD-UHFFFAOYSA-N	250.729	4.066	50	20	CIGD	
CCCN(N=Cc1cc(F)ccc1C)C(=O)OC(C)(C)C	794997635	ZJDDVEPXEFGKOL-UHFFFAOYSA-N	294.370	4.115	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1	806398424	HETDXZSOMRBVST-HYVNUMGLSA-N	286.419	4.045	50	20	CIGD	
O=C(NNc1ccc(F)cc1)c1ccc(C2=CCCC2)cc1	810021350	DMIMJMJPWOVGPA-UHFFFAOYSA-N	296.345	4.150	50	20	CIGD	
BrC[C@@H](OCC1CCCC1)c1ccccc1	85489540	LXLRRPJVRMIWQE-CQSZACIVSA-N	283.209	4.329	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c(C)noc2C)cc1	192879257	CKWHYYLREWFWFN-MHWRWJLKSA-N	294.354	4.034	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741841911	CRCNIPXDPALMRM-ZDIKFAODSA-N	271.291	4.094	50	20	CIGD	
CC(CCC(C)C)=NNC(=O)c1ccc(Cl)cc1F	747645269	BAQIYCZDSBJRLV-UHFFFAOYSA-N	284.762	4.021	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@@H]2CCCCC2(C)C)c1	752616173	ACSIPGHBZYTKKR-AWEZNQCLSA-N	274.408	4.045	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756783129	JFMLGRXDRQNOOE-LFTLCWSBSA-N	293.313	4.119	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)C1CCCCC1	780004226	IORJYDGKZLKSHI-DHZHZOJOSA-N	279.792	4.458	50	20	CIGD	
C[C@@H]1CCC(=NNC(=O)c2ccc3ccccc3c2)[C@H](C)C1	783832508	KEHSKJQDDPAXNI-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)c1nc2ccccc2[nH]1	794688705	MMERBYCKXJECTK-GXDHUFHOSA-N	285.306	4.373	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794876005	ZSBPKOQUCDLBGW-GARZTLJTSA-N	263.287	4.146	50	20	CIGD	
C=C(CBr)CN1C[C@H](C)C[C@H]1c1ccccc1	796620546	QAJRBJCMWNOWHT-DOMZBBRYSA-N	294.236	4.021	50	20	CIGD	
Cc1ncccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797399087	OCMUFXOAOQTZTD-MDWZMJQESA-N	283.400	4.208	50	20	CIGD	
Cn1cccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	26845303	DVXARUCBXYFMBM-GXDHUFHOSA-N	291.379	4.213	50	20	CIGD	
CC1(C)CCCCC1=NNC(=O)c1ccc(Cl)cc1F	757583414	CEMCMHYYZWLYQN-UHFFFAOYSA-N	296.773	4.165	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cccc2ncccc12	807970288	ZVBKEJMVBSZCHM-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)o1	809145911	JHBPZRSBAMZVTL-XNTDXEJSSA-N	279.339	4.249	50	20	CIGD	
CCCCCC(=O)NNc1c(C)cccc1C(C)C	812768826	IMFZIWTXIRUYOD-UHFFFAOYSA-N	262.397	4.142	50	20	CIGD	
CC[C@H](C)c1nnc([C@@H](Br)C(C)(C)C)o1	1325798076	KHEZHRUDLJQMSW-JGVFFNPUSA-N	275.190	4.065	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	178723104	AUGJEDWUWRABBZ-NYYWCZLTSA-N	299.267	4.367	50	20	CIGD	
CC(C)[C@H](NC[C@@H](C)CBr)c1ccccc1	309719054	ZZBSBENGDNSHQF-JSGCOSHPSA-N	284.241	4.004	50	20	CIGD	
ClCc1nn([C@H]2CCCCO2)c2ccc(Cl)cc12	328578252	FMERBZWNHKNJIC-CYBMUJFWSA-N	285.174	4.128	50	20	CIGD	
CCCC(CCC)=NNC(=O)c1cc2ccccc2o1	749817201	CLWFJDLGWQJPRU-UHFFFAOYSA-N	272.348	4.119	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1F	759653612	SZZMFFLOVUAAQZ-BKLZJWBFSA-N	279.742	4.391	50	20	CIGD	
C#CCCCCCC(=O)NNc1cc(Cl)cc(Cl)c1	791721023	VUILJJXZOLGDLK-UHFFFAOYSA-N	299.201	4.020	50	20	CIGD	
CCCCc1oc2ccccc2c1C=NNC(=O)CC1CC1	814987951	KZKALGAQCPEUGA-UHFFFAOYSA-N	298.386	4.026	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1nccc2ccccc12	1318782434	JHCIINUORMQBNN-FOWTUZBSSA-N	298.345	4.333	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1sccc1Cl	195226654	ABVVNFVJGHCYMV-RMKNXTFCSA-N	277.732	4.093	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@@H](c2ccccc2)C1	750794792	KJBFDYDWOVPKPS-HDAJJNEKSA-N	274.367	4.041	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)c1ccco1	8200331	PUDSPYANYVPUNK-DHZHZOJOSA-N	291.228	4.088	50	20	CIGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)ccc1Cl	119155277	XWPCPCXEQWMNHT-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
COc1cccc2cc(/C=C(/C#N)C(=O)CC(C)(C)C)oc12	918712911	CWPJPIDNZXDQCE-LCYFTJDESA-N	297.354	4.354	50	20	CIGD	
Cn1c(/C(C#N)=C/c2cccc(Cl)c2)nc2ccccc21	6210658	ZNVVVJMFLQCBKL-UKTHLTGXSA-N	293.757	4.291	50	20	CIGD	
N#C/C(=C\c1ccccc1F)C(=O)c1cccc(Cl)c1	11297304	NMMPJXLKVSXRJU-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc(Cl)c2)n1	169972683	JDGAOPCBKZQSDV-WZUFQYTHSA-N	260.749	4.169	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741844282	RCTCHTGISOIFRT-UKTHLTGXSA-N	285.318	4.484	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1ccccc1F	771840116	XQAHOEDTCBVWIE-UITAMQMPSA-N	291.734	4.330	50	20	CIGD	
O=C(NN=C1CCC12CCCC2)c1cccc2ccccc12	788717292	WJNMAKSGNWPEDZ-UHFFFAOYSA-N	292.382	4.280	50	20	CIGD	
CCCC[C@H](CC)C(=O)NNc1ccc(Cl)c(OC)c1	790180071	NKZXLVXTDXENRP-NSHDSACASA-N	298.814	4.008	50	20	CIGD	
CCCCCC(=O)NNc1cc(Cl)cc(Cl)c1	791727809	TUBMYCZXFQEOMO-UHFFFAOYSA-N	275.179	4.017	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)c(C)c1	14178768	BVWBNRWEYJQOTP-LFIBNONCSA-N	283.371	4.086	50	20	CIGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccccc1C	727254560	WZOVUFMJNMPISF-AWEZNQCLSA-N	272.392	4.071	50	20	CIGD	
CC(CCC1CCCCC1)=NNC(=O)c1cccc(C#N)c1	731927232	CQNCGOHWPBHZSG-UHFFFAOYSA-N	297.402	4.024	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1ccc(OC)cc1	746885988	DWZTWQVPSUNMGL-AWEZNQCLSA-N	292.423	4.135	50	20	CIGD	
CCCC(CC)=NNC(=O)c1ccc(Cl)cc1Cl	776186168	VBCBBTXRZXLOOG-UHFFFAOYSA-N	287.190	4.289	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781554405	OOFWUULDCSQKFK-UVTDQMKNSA-N	271.385	4.075	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(C)c(C)c2Cl)cc1	783644223	BKJWYEMHEWWRFA-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2cccc3ccccc23)[C@H](C)C1	783850628	UZKLVPHHRUFDMH-UONOGXRCSA-N	294.398	4.382	50	20	CIGD	
CCCCC[C@@H](C(=O)NNc1cccc(Cl)n1)C(C)C	817006135	XIDVDAJTMKXXRA-GFCCVEGCSA-N	297.830	4.031	50	20	CIGD	
C[C@H](Nc1ccc(NC(=O)CCl)cc1)c1ccccc1	1319675302	ZJAHEWXTABMWJL-LBPRGKRZSA-N	288.778	4.037	50	20	CIGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1ccc(F)cc1	18918084	OXBBHRDMKAEJMX-UKTHLTGXSA-N	285.705	4.269	50	20	CIGD	
CCCCCO[C@H](CBr)c1cccc(F)c1	50481637	SKCRAKQIKZYIOG-CYBMUJFWSA-N	289.188	4.469	50	20	CIGD	
S=C=Nc1cc2cc(Cl)cc(Cl)c2cn1	114086776	DZTSGWULIRGYOJ-UHFFFAOYSA-N	255.129	4.276	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccnc2Cl)c1C	255498180	NTQIVJCTTIBBOC-ZROIWOOFSA-N	296.757	4.142	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C)cc1C	726118854	RVFVINNQVNSBJX-YBEGLDIGSA-N	255.361	4.216	50	20	CIGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1	726119789	DMCIVENODKJIHM-FOWTUZBSSA-N	285.387	4.388	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	741473421	IJQSEKPJQQAPIN-RKPNYOAGSA-N	297.398	4.312	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758062534	KDFMUUNGSKKMAP-BSPDJOBPSA-N	275.298	4.043	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)C(C)(C)CC)s1	794873213	CAVGHAQYKFOSOI-PKNBQFBNSA-N	261.390	4.223	50	20	CIGD	
CCCN(N=C[C@@H]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C	794996122	QZVWEMGXKDLAIJ-ZIAGYGMSSA-N	282.428	4.446	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccn1C(C)C	812765300	DHFURMXMDOQBDU-UHFFFAOYSA-N	299.418	4.258	50	20	CIGD	
CCOc1ccc(NNC(=O)CCCC[C@H](C)CC)cc1	817904834	SMZFAUOIIVCPCI-CQSZACIVSA-N	292.423	4.135	50	20	CIGD	
CC[C@@H](CC1CCCCC1)C(=O)N(C)CC(Cl)Cl	819843261	IJWJAPOLECIVBQ-LBPRGKRZSA-N	294.266	4.245	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1	824220948	GKTDOOSFHRATKP-ZWKOTPCHSA-N	294.398	4.022	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)C(C)(C)F	834448073	VBLRDWVOHMOAAB-FLIBITNWSA-N	279.742	4.127	50	20	CIGD	
C=CC[C@H](C)C(C)=NNC(=O)c1c(Cl)cccc1Cl	727779233	SIBPXMVDHQTWHT-VIFPVBQESA-N	299.201	4.311	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCCc2sccc2C1	750801339	MFDJACSIZKKTMO-PXNMLYILSA-N	280.396	4.061	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cscc1Cl	771857330	CXPOLJGZJZNBIW-QFQXNISHSA-N	267.781	4.314	50	20	CIGD	
CCC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)C(C)C	916353555	OXFWPKRYOAGPHE-NSHDSACASA-N	292.448	4.025	50	20	CIGD	
CCC(=NNC(=O)c1ccc(Cl)cc1Cl)C(C)C	916360522	VLCVBBUQBWVVSI-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
CC[C@H](C)Sc1ccc(NC(=O)CCl)c(C)c1	1319683126	XBBOEFDWUMGHPA-JTQLQIEISA-N	271.813	4.063	50	20	CIGD	
CC[C@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	28269866	CTWNDNUZNAOOEO-LURJTMIESA-N	295.597	4.136	50	20	CIGD	
Cc1ccc([C@@H](CBr)OCC(C)C)cc1	50480860	XXEUCDSJWPBRLW-CYBMUJFWSA-N	271.198	4.104	50	20	CIGD	
Cc1cc(C)c(C(=O)NNc2cccc(Cl)c2)c(C)c1	192884061	WJNHSVYHFGJQQK-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2sccc2Cl)n1	195226475	ZFKJHTSGPSMYJZ-XBXARRHUSA-N	266.778	4.231	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	207894561	SFDBZFOQHBCIIA-GDNBJRDFSA-N	286.334	4.266	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)c1ccsc1	747697638	ZYELAGTVTHZCFC-LIPWGUAESA-N	283.327	4.233	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761178109	YZQQLYVEZPVXCK-JXMROGBWSA-N	273.719	4.218	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	764890744	ANIIEMJMXHYOBW-LDADJPATSA-N	275.351	4.347	50	20	CIGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)c1ccc(C)cc1	764921365	SXZUHTMIXLRYIT-GZTJUZNOSA-N	291.350	4.102	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	794873250	CVIZZQZIYUSULB-FMIVXFBMSA-N	293.313	4.200	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(C)c1C	794873399	DNTALVUIHJOBNW-GDNBJRDFSA-N	255.361	4.216	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](c2ccco2)C1	808726120	QEFHAMGEGGAEOR-AWEZNQCLSA-N	295.499	4.091	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)OC1CCCCC1	834751316	MRGFRZQJKDABRD-NTMALXAHSA-N	295.791	4.184	50	20	CIGD	
Clc1ccc([C@H](CBr)OCC2CC2)cc1	50480152	DVQVFJOSGFDYKO-LBPRGKRZSA-N	289.600	4.203	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1Cl	741470591	SFTNIRYSWBYIST-GJSJWPQCSA-N	261.752	4.252	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741841895	CRCNIPXDPALMRM-BKLZJWBFSA-N	271.291	4.094	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1ccsc1	746684360	ODCUOMYYYHEHDD-STIUHYITSA-N	265.337	4.094	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1C	773171030	KVDATTUFUSBFAQ-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
CC(C)CCC=NNC(=O)c1c(Cl)cccc1Cl	814833191	CBDGIUOTWQBUTH-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1322087642	GGSNCZDRORFTFP-YBEGLDIGSA-N	293.391	4.335	50	20	CIGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)C1CCCC1	1337326715	GBCTVUBMKMJDFO-UHFFFAOYSA-N	298.411	4.055	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccs2)cc1	7208147	VZSSXFJKVMRFFL-RVDMUPIBSA-N	281.380	4.490	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccccc2)c1C	67735357	UWTVEAZPBLXJSA-WJDWOHSUSA-N	261.324	4.093	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	128793626	ODCCYAOETHLVJT-ONNFQVAWSA-N	281.277	4.016	50	20	CIGD	
CC(C)c1[nH]nc(-c2ccccc2)c1CBr	409443301	KUCJYOAODFJLLS-UHFFFAOYSA-N	279.181	4.095	50	20	CIGD	
Cc1ccc2nc(/C=C/c3cnn(CCCl)c3)ccc2c1	728699226	CXAVFBYXQJTRSV-HWKANZROSA-N	297.789	4.149	50	20	CIGD	
CN(N=CCC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C	768768642	OGBZCAOYKGVFOH-MCIONIFRSA-N	280.412	4.056	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777872430	URZKVRZLBRENCA-XNFYSYIQSA-N	293.313	4.119	50	20	CIGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)CC(C)C	780004761	PPYZIWASXBQZJW-LCYFTJDESA-N	291.778	4.261	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3cnccc3c2)cc1	780006221	XXIIVCPFZDJVRY-YBFXNURJSA-N	298.345	4.333	50	20	CIGD	
CCCN(N=C1CC[C@@H](C)[C@H](C)C1)C(=O)OC(C)(C)C	794998515	QHBJOTIAUZRCKN-CHWSQXEVSA-N	282.428	4.446	50	20	CIGD	
CSc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)s1	798231111	FVIUADYECGJKRS-NTMALXAHSA-N	297.408	4.410	50	20	CIGD	
N#C/C(=C\c1csc2ccccc12)C(=O)c1ccco1	810209530	HBCOPHMWZWUHBW-DHZHZOJOSA-N	279.320	4.284	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cc1	824220946	GKTDOOSFHRATKP-QZTJIDSGSA-N	294.398	4.022	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(SC)s1	840717431	UZZKDUMQAKHIHZ-UBYNWHESSA-N	279.430	4.382	50	20	CIGD	
CC(C)N(C(=O)c1cccc(CCl)c1)C1CCCC1	1337124535	PCSYAFPZZYIIQM-UHFFFAOYSA-N	279.811	4.219	50	20	CIGD	
CC(C)(CBr)Cc1sccc1Cl	306388619	UPLUJZKFVZIXFM-UHFFFAOYSA-N	267.619	4.365	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)n(C2CC2)c1C	726184315	SMRWHHPYWJLWNC-MHWRWJLKSA-N	284.403	4.352	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)s1	741475145	VQCSRWWOPZJKCI-XFFZJAGNSA-N	274.414	4.448	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(C)o1	783688146	UZIOZFZLIRAAGC-WDZFZDKYSA-N	291.759	4.401	50	20	CIGD	
CCCN(N=Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C	794993185	SYSOVHDGCIGIHR-UHFFFAOYSA-N	296.798	4.321	50	20	CIGD	
CC(C)C1(NC(=O)CCCC[C@@H]2CCSS2)CC1	818355794	SEHHXLBATZTHGD-GFCCVEGCSA-N	287.494	4.005	50	20	CIGD	
N#C/C(=C/c1ccc(O)cc1)c1ccc2ccccc2n1	108714598	PRNIISYCDZZVJX-PTNGSMBKSA-N	272.307	4.005	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1OC(F)F	125495180	VDYNHQOMQSDIGE-KWJWQAOWSA-N	293.313	4.200	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	182050039	GOLMINLOWMWXJY-MDWZMJQESA-N	277.302	4.075	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)s1	255325668	RESDJXWGCUZDMV-SBMLRHLQSA-N	267.781	4.314	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	730149406	HWODQFPPVQIUFE-DWKHYPNZSA-N	285.387	4.244	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2sccc2C)s1	731159408	QHAFSASTBIATKD-FLIBITNWSA-N	287.409	4.470	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)nc2)s1	797399542	UARAMHHVHYVEQH-IZZDOVSWSA-N	287.363	4.039	50	20	CIGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(C)C)cc2)c(C)c1	837052334	CAUUJSVKBRHXHX-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1F	125392516	ABNNRHZBRCAARU-QPEQYQDCSA-N	272.348	4.272	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)n(C(C)C)c2C)c1	127599463	RCAFRCOOWILMQX-UHFFFAOYSA-N	299.418	4.060	50	20	CIGD	
COc1cccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	171390015	WIPXRXOKJCMRMI-MHWRWJLKSA-N	291.350	4.102	50	20	CIGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)c2ccccn2)c1	176902261	FGIFTNKPTXDCAF-UKTHLTGXSA-N	286.281	4.056	50	20	CIGD	
CCC1(C(=O)NNc2cccc3cnccc23)CCCCC1	184223767	MANHJQVAUVZUGO-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2cccc(F)c2)c1	194531019	ZRHJGTLXTHHRGA-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
C#CCCCCCC=NN(CCC)C(=O)OC(C)(C)C	495965939	AXBRKNCSECKLFG-UHFFFAOYSA-N	280.412	4.203	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccsc2)s1	731156503	GNBFOHCROBWBCE-XFFZJAGNSA-N	273.382	4.162	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@@H](c2ccccc2)C(C)C)c1	731784510	XMDHEFCPJKIRCH-GOSISDBHSA-N	296.414	4.268	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	734980291	IBECTNPBIVOMOB-LCYFTJDESA-N	277.302	4.075	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1	774560186	WSDOPVRCNZDJCP-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)[C@H]1C	781122779	NEUCGMZLIOHUAR-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C\c1cccc([N+](=O)[O-])c1	787170411	VYVALUMTNQVCBN-VKVSYXGZSA-N	298.342	4.063	50	20	CIGD	
C=C[C@@](C)(CC)C(=O)NNc1cc(Cl)cc(Cl)c1	791728121	GTQIWWMHKHCXMR-ZDUSSCGKSA-N	287.190	4.039	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)cc1	1337988298	OMCIUIJRIBZSQJ-XDHOZWIPSA-N	287.362	4.274	50	20	CIGD	
Cc1cccc(NC(=O)CCCC[C@@H]2CCSS2)n1	69191346	YBIYYAZQOHOGHG-GFCCVEGCSA-N	296.461	4.043	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)cc2C)n1	588476795	IERGEDQWQDDNEY-SDQBBNPISA-N	274.776	4.478	50	20	CIGD	
CCCCCC[C@H](C)CC(=O)NNc1ccc(F)cc1	727676570	FEVUGUHMVLJTMV-ZDUSSCGKSA-N	280.387	4.265	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1C1CC1	750817700	IFWHCDFEBBOMIF-GXDHUFHOSA-N	253.345	4.086	50	20	CIGD	
Cc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752810632	DAGSORQHKXYGQL-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(Cl)cc1F	783848349	FYMGVMDBZMEVKH-ZJUUUORDSA-N	296.773	4.021	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2sccc2C)c1	915989962	HNDBEGWXUJOFFA-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
CCCCCC1=C(C)CCC1=NNC(=O)c1ccc(N)cc1	916263639	ORFODRHORNXVNH-UHFFFAOYSA-N	299.418	4.045	50	20	CIGD	
CC(C)C[C@@H](C)N(C(=O)CCl)c1ccc2[nH]ccc2c1	1341523542	CPEVKOCMNWMXMF-GFCCVEGCSA-N	292.810	4.174	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H]1c1cccs1	1350815418	QIQOCNLWVHDQQF-WXRRBKDZSA-N	297.851	4.209	50	20	CIGD	
CC[C@H](CC(=O)NNc1ccccc1)c1ccc(C)cc1	130340227	SEHWPEFCOXVBPT-OAHLLOKOSA-N	282.387	4.022	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1coc2ccccc12	160226649	HRJGQRVWJWJRJA-XYOKQWHBSA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1cnc2ccccc2n1	191357683	JYCDZLRHKANJSA-BOPFTXTBSA-N	297.361	4.183	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccnc(Cl)c1Cl	834429976	BPYPFPKEWIJXEL-MKVDPYIPSA-N	297.185	4.301	50	20	CIGD	
N#C/C(=C/c1cccc(C#N)c1)c1ccc2ccccc2n1	917144909	QTHWMNZGFNNUFT-BOPFTXTBSA-N	281.318	4.171	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)o1	8117912	GQFANAKAMDFSAL-XFRGYXEISA-N	295.313	4.332	50	20	CIGD	
CCC1CCC(CBr)(OC2CCC2)CC1	52146957	JSZDMJLHLQBEEQ-UHFFFAOYSA-N	275.230	4.289	50	20	CIGD	
CC(C)(C)O[C@H]1CCCCCC[C@H]1Br	158046559	RQSVPTAKWBOYJQ-MNOVXSKESA-N	263.219	4.288	50	20	CIGD	
CC[C@@H](C)C(C)=NNC(=O)c1c(Cl)cccc1Cl	727781566	QKXFUQPBTQKCNM-MRVPVSSYSA-N	287.190	4.145	50	20	CIGD	
CC[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	747643369	GWGILKPULZXLQU-SNVBAGLBSA-N	296.773	4.165	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1	794955164	VOEDNLHKVFKBFR-NTBKVEBNSA-N	271.335	4.294	50	20	CIGD	
CCCCC[C@H](C(=O)NNc1cccc(Cl)n1)C(C)C	817006136	XIDVDAJTMKXXRA-LBPRGKRZSA-N	297.830	4.031	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc2cc(Cl)cnc2o1	834398748	QZULCSFNADCELA-POHAHGRESA-N	288.734	4.003	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cnc(C2CCC2)s1	155221527	GBEKTGIDWPOKFF-KPKJPENVSA-N	288.416	4.323	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)c1ccc([N+](=O)[O-])cc1	178981351	OMIHZPNUOXEOSY-UKTHLTGXSA-N	290.278	4.405	50	20	CIGD	
CC(=NNC(=O)c1cccc2ccccc12)C1CCCC1	741462548	JDLDESSZVZQKOJ-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	741469995	OJEWARJTOJACTE-RKPNYOAGSA-N	297.398	4.312	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCc2c([nH]c3ccccc23)C1	759348055	YLEAXBXXEYZZDA-KEBDBYFISA-N	299.377	4.091	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(Cl)c1F	759644179	OLHALOGQTVLSQJ-XYOKQWHBSA-N	279.742	4.391	50	20	CIGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	783686760	ADVXVZDNUQAODR-TWGQIWQCSA-N	277.732	4.093	50	20	CIGD	
C[C@H](C(=O)NNc1cc(Cl)cc(Cl)c1)C(C)(C)C	791727605	YTZHSZJMYVOOAR-MRVPVSSYSA-N	289.206	4.119	50	20	CIGD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCC(Cl)CC1	1346250128	GTAMICVKDUCYJO-XGNXJENSSA-N	297.801	4.143	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1csc2ccccc12	171019903	FTVRGSHRGDBCHT-XYOKQWHBSA-N	269.369	4.423	50	20	CIGD	
C[C@@H]1C[C@H](CC(=O)NNc2ccc(F)cc2)CC(C)(C)C1	727367988	LHVCIZMJUQFFKP-CHWSQXEVSA-N	292.398	4.121	50	20	CIGD	
N#CC1=CCN(Cc2ccc(-c3ccsc3)cc2)CC1	769772434	WTJPFUMFWAOCCD-UHFFFAOYSA-N	280.396	4.071	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc2cccnc12	783696221	KXKIQNNKYLLPSA-XNTDXEJSSA-N	278.355	4.065	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)C(=O)OC1CCCCC1	834745036	YPGDYFMTNWNHOY-RAXLEYEMSA-N	289.762	4.123	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1	16441510	SFDBZFOQHBCIIA-XNTDXEJSSA-N	286.334	4.266	50	20	CIGD	
CCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	29518108	OYVFRJOHDABXEE-UHFFFAOYSA-N	295.597	4.280	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	105570996	NRIJAQBALLOCLK-UVTDQMKNSA-N	297.379	4.245	50	20	CIGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O	209276164	CZKHUOVZRMGHIM-YFHOEESVSA-N	289.743	4.060	50	20	CIGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1ccc(F)cc1	750817727	JEGLUNGKODSSDV-WJDWOHSUSA-N	291.325	4.493	50	20	CIGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc(F)cc1F	775781894	YNGOQTMPMLPLHD-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnc(C2CCC2)s1	794875479	WNYBGDZLDGTHJL-WQLSENKSSA-N	288.416	4.323	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1cccc2cccnc12	814824379	UCVHYRLHZDQJEF-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
CCCN(N=C(CC)c1ccco1)C(=O)OC(C)(C)C	814927603	WZNIAAGDVVMMPT-UHFFFAOYSA-N	280.368	4.041	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)N(C)CC(Cl)Cl	816628311	QDLQGNDRIGWGGM-LLVKDONJSA-N	282.255	4.245	50	20	CIGD	
C/C(=C\C(=O)NN(c1ccccc1)c1ccccc1)C1CC1	917529003	NAGSJSGWBUALSR-CCEZHUSRSA-N	292.382	4.212	50	20	CIGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)[C@@H]1c1ccccc1	1347936728	BDWWWLHLWWZBHL-KKOFPSKJSA-N	291.822	4.004	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)s1	170933558	WDYBFKODGCOQIG-ZSOIEALJSA-N	297.379	4.169	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(F)c(F)c1	211198289	QJJHHBKRLIXYCD-JYRVWZFOSA-N	283.277	4.063	50	20	CIGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)[C@@H](C)CC)cc1	726427907	ATDFIGRHFFPILP-AOHITCTBSA-N	285.387	4.388	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1	764892341	WFKAFXXHXWMQCM-ZSOIEALJSA-N	294.379	4.119	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)o1	810216013	BVMBFVQZMQHMNK-WQLSENKSSA-N	271.703	4.031	50	20	CIGD	
O=C(NN=C1CC(c2ccccc2)C1)c1ccc(Cl)cc1	814688194	OBAXTTZLAGBRCO-UHFFFAOYSA-N	298.773	4.003	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)c1nc2ccccc2[nH]1	12367928	MPJYLKYBQGTGAZ-IAGWCDOLSA-N	271.323	4.183	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	125493310	XWCOEJSBYXCZJD-QQCYMQAYSA-N	281.277	4.016	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1ccc(F)cc1	160220387	SKMPALXSCZERFZ-UKTHLTGXSA-N	291.281	4.362	50	20	CIGD	
CCCCCCC(C)=NNC(=O)CC1CCCC1	749449205	CUHPKVUAVYUSKH-UHFFFAOYSA-N	252.402	4.029	50	20	CIGD	
CCC1(C(=O)NNc2ccc(Cl)cc2)CCCCC1	764458915	QXBCNOFDZBUQTL-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cc(F)cc(Cl)c2)n1	776720328	MBILZCCKFLEAET-SGAXSIHGSA-N	278.739	4.308	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C/c1cccc([N+](=O)[O-])c1	787170410	VYVALUMTNQVCBN-UTWSKRIUSA-N	298.342	4.063	50	20	CIGD	
CC[C@H](C)C(=O)NN=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1	788426463	RCGSMZAOORWWNK-INTQDDNPSA-N	298.839	4.043	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1Cl	812244816	ISEVNQUKGPJTMR-SDQBBNPISA-N	299.717	4.016	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1318821655	GAVKHLMXBWABQP-BOPFTXTBSA-N	267.372	4.088	50	20	CIGD	
CC(C)Sc1c(Cl)cccc1NC(=O)CCl	1319683123	WYCJAPVLDHEHRT-UHFFFAOYSA-N	278.204	4.018	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc2ccccc12	6209284	DAGXCUXSZFHBSG-RVDMUPIBSA-N	263.340	4.362	50	20	CIGD	
FC(F)(F)C[C@H](CBr)c1ccccc1	396880210	BPVKFLOGKALJSO-SECBINFHSA-N	267.088	4.118	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)c1ccc(Cl)s1	588424598	PMIDLMHNAYXCJI-YFHOEESVSA-N	291.734	4.330	50	20	CIGD	
Cc1ccccc1[C@H](NC(=O)NNc1ccccc1)C(C)C	734277227	PZVFYZUQLUJZSM-QGZVFWFLSA-N	297.402	4.018	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)c1ccccc1	921262202	PNNHINHPRGZIAL-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
O=C(CCl)Nc1cccc(CSC2CCCC2)c1	1319785671	HVUFPFMQTFDSEN-UHFFFAOYSA-N	283.824	4.040	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc2ccccc12	726119996	HQTRFUGFQRKQLC-LFIBNONCSA-N	263.340	4.362	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC(F)(F)F)cc1	726594343	JMVGVALHTVDJRQ-ZDIKFAODSA-N	297.276	4.107	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)o1	760209031	CAYWHTMPDKDUBY-UVTDQMKNSA-N	279.339	4.249	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Cl	766287834	ISLHCEWRXHDXLH-ZROIWOOFSA-N	296.757	4.194	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	790220748	WNJYMLCGISTGPQ-RQNDZEIBSA-N	297.398	4.388	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CCC2(CCCC2)CC1	811635052	KJSRTXSMSFRQMD-UHFFFAOYSA-N	284.403	4.215	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1ccccc1	834675589	IJORGHCOYBCYIZ-DHZHZOJOSA-N	273.744	4.191	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1	44028414	YPRHJXQURJRBOG-RIYZIHGNSA-N	297.379	4.169	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)o1	155225202	VUEYFQFUERVDQI-FLIBITNWSA-N	271.341	4.002	50	20	CIGD	
CC[C@@H]1CCCC1=NNC(=O)c1c(Cl)cccc1Cl	758371093	SSQASGOGYXLJPQ-SECBINFHSA-N	299.201	4.289	50	20	CIGD	
CCCN(N=Cc1cc(C)ccc1F)C(=O)OC(C)(C)C	794998501	PRTHIPPFDKJBHH-UHFFFAOYSA-N	294.370	4.115	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@H](C)c2cccs2)cc1	837053445	DQOJLIKOAQYBBT-GFCCVEGCSA-N	288.416	4.118	50	20	CIGD	
N#C/C(=C/c1cc2ccncc2s1)C(=O)C1CCCCC1	849179658	RSGBLKGCOXOQRU-ZROIWOOFSA-N	296.395	4.353	50	20	CIGD	
Br[C@H]1CCCCC[C@H]1OC1CCCCC1	50502639	QKFHXTWRVOLPPE-QWHCGFSZSA-N	275.230	4.432	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2occc2C)cc1	742349534	GJNLTVFEYSGPDO-WJDWOHSUSA-N	279.339	4.330	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1F	759645519	YXOPESOKVPZPIW-MKVDPYIPSA-N	265.715	4.001	50	20	CIGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1cccc(Cl)c1	764666905	OQATYCVXBKGDID-CQSZACIVSA-N	292.810	4.272	50	20	CIGD	
CC/C(C)=C(/C)C(=O)NNc1cc(Cl)ccc1Cl	780992159	KOMVVWVSKVDYLD-HJWRWDBZSA-N	287.190	4.183	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1ccc(C)c(C)c1	809146964	VDMYNLYBSVPZAT-ATVHPVEESA-N	292.382	4.305	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811626695	JZYOJVVIOYAVLI-XBXARRHUSA-N	287.306	4.289	50	20	CIGD	
CCn1cccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	840734928	LERHTRYNPLHLTR-XFXZXTDPSA-N	285.416	4.326	50	20	CIGD	
N#CC1=C(N)Oc2cc3ccccc3cc2[C@H]1c1ccccc1	44137509	QSTCKWGYIUYFCD-LJQANCHMSA-N	298.345	4.058	50	20	CIGD	
Cc1cccc(C(=O)NNc2cccc(Cl)c2)c1Cl	178854631	UJEADHULGBOQNV-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
C=CC[C@H](CCl)CCCOCc1ccccc1	306877469	IBZYONVUBONZDN-AWEZNQCLSA-N	252.785	4.415	50	20	CIGD	
CC(C)C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1	729635848	PNMAXTZZRNWTID-UHFFFAOYSA-N	292.810	4.272	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)C(CC)CC)s1	731159395	PZVVQZUYGLRLQD-XFXZXTDPSA-N	261.390	4.223	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccccc1F	732577417	YMKPUCWTODVSIZ-KAMYIIQDSA-N	295.313	4.014	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/C=C\c3ccccc3)[nH]c12	735619704	PKRMIOMZVLNBAR-AXLPOJBWSA-N	285.350	4.492	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)s1	767713349	JTEYMCUYBOMPQG-RAXLEYEMSA-N	273.401	4.367	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)C[C@H]2C=CCCC2)cc1	779067913	JWARFGQFQJFBFW-AWEZNQCLSA-N	286.419	4.174	50	20	CIGD	
C=C[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	787682129	VUSKFURCWCOSQU-ZIAGYGMSSA-N	299.505	4.268	50	20	CIGD	
CC1(C)CC[C@@H]1NC(=O)CCCC[C@H]1CCSS1	805243731	RELJCVIEQSSVTL-RYUDHWBXSA-N	287.494	4.005	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)c(C)o1	843266156	TTXOHYHBZNGFSD-AWNIVKPZSA-N	270.357	4.295	50	20	CIGD	
COc1cccc(C)c1/C=C(/C#N)c1nc(C2CC2)cs1	843273411	ROVZVJFPZCJLOC-JYRVWZFOSA-N	296.395	4.402	50	20	CIGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)c1ccccn1	49065661	QPESEAZHNRQMQJ-GHXNOFRVSA-N	295.392	4.331	50	20	CIGD	
C[C@@H]1CCC[C@@H](OC2(CBr)CCCC2)C1	50481544	UJZIASVLWDDLSY-VXGBXAGGSA-N	275.230	4.289	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)n1	176919525	MSMBTRSYRWFTIV-WUXMJOGZSA-N	299.355	4.239	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@@H](c2cccc(F)c2)C1	750796079	NTZFWGKRWOIVAE-AHUIGUKZSA-N	292.357	4.180	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(C#N)cc2)s1	797398255	FPOXVYZYZYDAMC-RIYZIHGNSA-N	293.395	4.376	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccccc1F	799889411	OICIQVRUNNWURM-CMDGGOBGSA-N	274.722	4.461	50	20	CIGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1	915992361	YLGVSMHOJSPKMZ-VBKFSLOCSA-N	285.387	4.388	50	20	CIGD	
CC[C@H](C)c1nnc(CCCC[C@H]2CCSS2)o1	1326495688	AIVFWYSRUDQYOV-QWRGUYRKSA-N	286.466	4.450	50	20	CIGD	
BrCc1ccc(C2CC2)cc1Br	1585337421	VPSMRMPSNLEWRW-UHFFFAOYSA-N	289.998	4.221	50	20	CIGD	
CCCCCCCCCC(=O)NNc1ccccc1	101459221	BPJYWDNJYGRFBV-UHFFFAOYSA-N	262.397	4.270	50	20	CIGD	
Cc1ccc(C(C)(C)C(=O)NNc2cc(C)ccc2C)cc1	748401332	STDYTRKKZOTNAU-UHFFFAOYSA-N	296.414	4.033	50	20	CIGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1ccccc1	749524118	PQFLRQLNPKLSPL-OAHLLOKOSA-N	274.408	4.126	50	20	CIGD	
C[C@@H]1CN(/C(=C/C#N)c2ccccc2)[C@H]1c1ccccc1	750800626	VTMFKSUWBYVIME-OWTRVTINSA-N	274.367	4.244	50	20	CIGD	
C/C(=C\c1ccccc1)CN(C)C[C@@H](C)CBr	755192373	ATZWOZIFWJOUIV-SSUFTNFISA-N	296.252	4.053	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(F)cc(F)c2)c1C	755405089	FHTICCUEFNBXMJ-MKMNVTDBSA-N	297.304	4.372	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)ccc2F)cc1	764890848	CZPCKDIBTHLQKE-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)c1ccoc1	798230616	SXSATPRMKSEVKA-POHAHGRESA-N	292.121	4.376	50	20	CIGD	
C/C(=C/c1ccc(OCCCCl)cc1)c1cnccn1	811692521	AWTQHGULXDXNHV-QBFSEMIESA-N	288.778	4.045	50	20	CIGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2ccccc2c1	119075130	WAEZLJVMHXBXCI-UHFFFAOYSA-N	294.329	4.044	50	20	CIGD	
CN(CC(C)(C)C)C(=O)CCCC[C@@H]1CCSS1	726950038	GWLUEGCDPUULCV-GFCCVEGCSA-N	289.510	4.205	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@@H](C)C2CCCCC2)c1	731784102	FPIIZLZOXARCDQ-CQSZACIVSA-N	274.408	4.045	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@H](c2ccccc2)C(C)C)c1	731784511	XMDHEFCPJKIRCH-SFHVURJKSA-N	296.414	4.268	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	755404745	BKDDCZXTQITFMR-WDZFZDKYSA-N	279.742	4.391	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)s1	764884254	DTUJKTSKOPDCNQ-GXDHUFHOSA-N	281.380	4.409	50	20	CIGD	
N#C/C(=C\c1ccccc1Cl)C(=O)C1CCCC1	781555350	HEPRJYHRYXNHFJ-UKTHLTGXSA-N	259.736	4.006	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	794952966	KOAUVNVVEXFXDA-PTNGSMBKSA-N	285.387	4.386	50	20	CIGD	
CC1(NCc2ccc(OCCCCl)cc2)CCCC1	811472232	BBVACJKIWOEIMW-UHFFFAOYSA-N	281.827	4.117	50	20	CIGD	
CCCCCCCCC(=O)NNc1cc(C)cc(C)c1	890732644	MEANMXBOVZJTRO-UHFFFAOYSA-N	276.424	4.497	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1c[nH]c2ccccc12	915940136	XJIZRAHEIUAODV-GFCCVEGCSA-N	285.391	4.100	50	20	CIGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)C2CCCCC2)s1	128917988	VFFGOAOCYWEVSV-JYRVWZFOSA-N	288.416	4.323	50	20	CIGD	
N#C/C(=C/c1cc(Cl)ccc1F)c1nc2ccccc2[nH]1	152132774	IGMDLKHNCZNXLW-XFFZJAGNSA-N	297.720	4.420	50	20	CIGD	
BrC[C@@H](COCc1ccccc1)C1CCCC1	230090930	YHYRCYQXZIJRBG-HNNXBMFYSA-N	297.236	4.405	50	20	CIGD	
N#C/C(=C/c1ccccc1F)C(=O)c1cc2ccccc2o1	255884253	STLXXYPBHHHETJ-ZROIWOOFSA-N	291.281	4.362	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	726119321	XPEHDYZMGXQNKI-GHXNOFRVSA-N	279.742	4.391	50	20	CIGD	
CCCC[C@H](CC)C(=O)NNc1ccc(Cl)c(F)c1	748876489	JTCXVIAAUMEUQZ-JTQLQIEISA-N	286.778	4.139	50	20	CIGD	
CCCCCCCC(=O)NNc1ccc(C#N)c(Cl)c1	753297671	KSGHJECHVIXWPT-UHFFFAOYSA-N	293.798	4.015	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1C	773173478	WZJDGBGMESYLHA-UUASQNMZSA-N	297.304	4.372	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1	620718	MXWMYJFESVXESI-JXMROGBWSA-N	290.731	4.374	50	20	CIGD	
CC1CCC(=NNC(=O)c2cccc3ccccc23)CC1	5427453	GOXXRSNWHZDGKA-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
CCO/C(C)=C(/C#N)c1nc(-c2ccccc2)cs1	33573522	ZAJATULHJHVFFM-QBFSEMIESA-N	270.357	4.101	50	20	CIGD	
CC[C@H](C)OC1(CBr)CCC(C)CC1	50480039	BGZSQQMFBIHAGN-CXQJBGSLSA-N	263.219	4.145	50	20	CIGD	
Br[C@H]1CCC[C@H]1OC1CCCCCC1	50503066	NFYJSDUYEIDMHO-NWDGAFQWSA-N	261.203	4.042	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(SC)cc1	101800138	GHTDGALZINPQPE-UVTDQMKNSA-N	273.401	4.321	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2cc(F)c(F)cc2F)sc1C	130090231	XJAOFFCAQHTLOL-XCVCLJGOSA-N	294.301	4.241	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12	207893749	GUDKYUFTBHBNBR-LCYFTJDESA-N	290.297	4.097	50	20	CIGD	
O=C(/C=C/C1CCCCC1)NNc1ccc(Cl)c(F)c1	748899141	UXEYKCHSDYHNKX-RMKNXTFCSA-N	296.773	4.059	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)cs2)c(C)c1	760462868	KXSNLXZZEWFBHU-UHFFFAOYSA-N	294.807	4.084	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2F)cc1C	809146799	UZIXZGYBHDLMPV-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C(C)C)cc1	160814548	JSWCNOBPJYXABL-UHFFFAOYSA-N	286.350	4.014	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CCC[C@@H]1c1ccccc1	732528692	UVYPGBDLEMBMCC-QGZVFWFLSA-N	292.382	4.049	50	20	CIGD	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1	752891291	SYWQBYICURHJCM-XNTDXEJSSA-N	279.339	4.367	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(C)c2)cc1	764884506	FFWYQHBVOPORMD-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
CC(CC(C)(C)C)=NNC(=O)c1cc(C)nc2ccccc12	834919531	IDODZPBVOBYORQ-UHFFFAOYSA-N	297.402	4.085	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)cc(C)c1O	843265668	OMHAADHJBVLDHI-AUWJEWJLSA-N	296.395	4.407	50	20	CIGD	
CCc1cccc2cc(/C=C(/C#N)C(=O)C(C)(C)F)oc12	849178205	CKHKXBFEHWXBIS-LCYFTJDESA-N	285.318	4.219	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccoc2C(C)C)cc1Cl	1326879642	LBDGFUMIAKLPBE-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
N#C/C(=C/c1cccc(O)c1)c1ccc2ccccc2n1	89873116	FSNQBLQZLVWTNV-GDNBJRDFSA-N	272.307	4.005	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NC12CCC(CC1)C2	369908204	KGNBWQRRPSIOJA-OWYJLGKBSA-N	299.505	4.149	50	20	CIGD	
FC(F)(F)C[C@H](CBr)Cc1ccccc1	396906093	FEUYPDNELKLFPH-SNVBAGLBSA-N	281.115	4.193	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1cnc2ccccc2n1	588580560	JYCDZLRHKANJSA-GZTJUZNOSA-N	297.361	4.183	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)n(C2CC2)c1C	726184318	SMRWHHPYWJLWNC-YBEGLDIGSA-N	284.403	4.352	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1F	767712716	DTOJIBVODPUZKO-OQLLNIDSSA-N	271.335	4.191	50	20	CIGD	
Cc1ccc(NC(=O)[C@H](Br)C(C)(C)C)c(C)c1	781066330	CYNABANDMGSRJZ-LBPRGKRZSA-N	298.224	4.052	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2ccn(C(C)C)c2C)c(C)c1	815853537	PHKWUAYDGNCUOU-UHFFFAOYSA-N	299.418	4.060	50	20	CIGD	
C[C@@H]1CSC(SCCO[Si](C)(C)C(C)(C)C)=N1	840202516	CJPAEDPNLKYYJG-SNVBAGLBSA-N	291.558	4.233	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2sccc2C)c1	918712736	BDYXQMYJTPFJRN-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(C)n(C2CC2)c1C	17475695	MUHYXMAXRPDWFQ-OQLLNIDSSA-N	294.354	4.131	50	20	CIGD	
CC[C@@H](C)OC1(CBr)CCC(C)CC1	50480037	BGZSQQMFBIHAGN-MOENNCHZSA-N	263.219	4.145	50	20	CIGD	
CC1CCC(O[C@@H]2CCCC[C@@H]2Br)CC1	50502745	XJRRQVIMNZEDCA-IFWUJCSASA-N	275.230	4.288	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	72861573	JNDSUIQTEVLSPS-PHUCXXSHSA-N	289.338	4.343	50	20	CIGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)c1ccccn1	172000434	YKKMKMHBJADBPA-YRNVUSSQSA-N	292.235	4.304	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)c1ccccc1	755403920	JJTXEVROUWOWGK-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)C1CCCC1	767352504	SUHCHOUOMFGGAQ-ZROIWOOFSA-N	273.763	4.315	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)c2cnc3ccccc3n2)c1	790231073	LNJIKWKEVVDCQH-NTEUORMPSA-N	289.313	4.142	50	20	CIGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1c(C)cccc1C(C)C	812766634	LGMHAVQNFNPNCC-GXTWGEPZSA-N	276.424	4.244	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccc(OC)cc1	1317724127	IFJSTWAPLKCNPF-UHFFFAOYSA-N	290.407	4.161	50	20	CIGD	
Br[C@H]1CCCCC[C@H]1OC1CCCC1	50502663	ZYAXGXALVLOEPN-NWDGAFQWSA-N	261.203	4.042	50	20	CIGD	
BrCC1(COCc2ccccc2)CCCC1	83164842	NZAQXDZOUHPYGD-UHFFFAOYSA-N	283.209	4.159	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	151359706	LEXOMEYFHFGDHC-UXBLZVDNSA-N	299.267	4.367	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1Cl	588409876	GXUQIRXAWHQXOZ-WQLSENKSSA-N	261.752	4.171	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1C	767735703	HCRQWJZLDDBPHE-GZTJUZNOSA-N	267.372	4.360	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1ccccc1	771840511	ZUGSLNAUYDTUPS-WDZFZDKYSA-N	273.744	4.191	50	20	CIGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)C1CCCC1	790100610	PYEIROGMAQVILX-GZTJUZNOSA-N	295.382	4.142	50	20	CIGD	
Cc1ccc(NNC(=O)c2cc(C)c(Cl)cc2C)cc1	794924817	WGRGAKLPXOWSIP-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
Cc1cccc(NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1	824221198	KZMVXRNBSPXSEF-ROUUACIJSA-N	294.398	4.022	50	20	CIGD	
C/C(=C/c1ccco1)C(=O)NNc1ccc(C(C)(C)C)cc1	847693823	ZHPRSMDSMIUNSJ-SEYXRHQNSA-N	298.386	4.124	50	20	CIGD	
Br[C@H]1CCCC[C@@H]1OC1CCCCC1	50502646	NYJUBASFQIRYNF-RYUDHWBXSA-N	261.203	4.042	50	20	CIGD	
CC(C)CO[C@]1(CBr)CCC[C@@H](C)C1	50503530	LFZYHZFOCMQEFJ-VXGBXAGGSA-N	263.219	4.003	50	20	CIGD	
N#C/C(=C/c1cncs1)c1nc(-c2ccccc2)cs1	129970955	OKNXCERYAJDKSQ-SDQBBNPISA-N	295.392	4.331	50	20	CIGD	
FC(F)(F)C[C@H](CBr)c1ccsc1	409425819	NFRSOPRSHRAAKM-SSDOTTSWSA-N	273.117	4.179	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@H]1c1ccccc1	747619559	NTICMMSALWQGLT-LTXFRBGYSA-N	278.330	4.137	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2oc3ccccc3c2C)cs1	806553818	ZMLCOWINNFCSDM-BENRWUELSA-N	295.367	4.078	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)o1	834750398	BWCJEMLKBWZWIX-QRADWQMASA-N	299.370	4.186	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	6210642	CXABNHHHIGDXLD-XNTDXEJSSA-N	273.339	4.244	50	20	CIGD	
C[C@@H](Br)Cc1ccc(C(F)(F)F)cc1	62168742	IXFLYFYDLPMHIW-SSDOTTSWSA-N	267.088	4.031	50	20	CIGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)CC(C)C)c1	255387289	UMNKPBZXKJUNDV-JYRVWZFOSA-N	293.313	4.119	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1cccc(Cl)c1	732923593	FOWYSQVWGXWRFN-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(Cl)nc2)n1	749006605	YXCVPSJUBRKHDD-VZUCSPMQSA-N	289.791	4.379	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776719824	CBIIQIPYRHTPHU-XGICHPGQSA-N	279.742	4.391	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)C2(C)CCCCCC2)c1	781349013	SQTMHBZNCGJWDN-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NC1CC2(CCC2)C1	846609007	FOSBBMVNMMBVNN-ZDUSSCGKSA-N	299.505	4.149	50	20	CIGD	
Cc1csc(C(=O)NN=C2CCC(=C3CCC3)CC2)c1	863157276	WYFOQDLWWSWZFF-UHFFFAOYSA-N	288.416	4.197	50	20	CIGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)c1ccccn1	171044317	RLPBYAVOYIFGOM-XYOKQWHBSA-N	290.244	4.044	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)o1	177636857	VUEYFQFUERVDQI-DHZHZOJOSA-N	271.341	4.002	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)o1	194534039	ITPKXGNMQLKUAZ-DBWOGOFASA-N	295.313	4.332	50	20	CIGD	
CCC[C@@H](NC[C@@H](C)CBr)c1ccccc1	310018280	LYFRHGKVEMCGGK-GXTWGEPZSA-N	284.241	4.148	50	20	CIGD	
CC[C@@H](CC(=O)NNc1cccc(C)c1)c1ccc(C)cc1	738511239	VFGDAPVVSPXUEK-INIZCTEOSA-N	296.414	4.330	50	20	CIGD	
C[C@@H]1CCC(=NNC(=O)c2ccc3ccccc3c2)C[C@H]1C	767371157	SWDOGAORNIWOSE-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccccc2)cc1	780023595	LUSLMPMDJDIKCI-UHFFFAOYSA-N	283.375	4.133	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)C2CCCC2)o1	781552684	CLDKLSAJVIYCIR-AATVDUDFSA-N	269.344	4.069	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)C1CCCC1	781553941	ZWMWUPVXEBQHOY-LCYFTJDESA-N	293.288	4.372	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)C1CCCC1	781555890	QWLOMPRXWCGCLU-LCYFTJDESA-N	265.312	4.099	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1ccc(F)cc1	794685519	HXZSTLWILGZLQO-GDNBJRDFSA-N	291.281	4.362	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)c1cccc(Cl)c1	810216810	PDNJBWGLIBLKQJ-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
N#C/C(=C/c1cccc(F)c1)c1ccc2ccccc2n1	917146326	JZFWTUAYEKRWLZ-GDNBJRDFSA-N	274.298	4.438	50	20	CIGD	
N#C/C(=C\c1cccs1)C(=O)c1cc2ccccc2o1	48417552	VJSIKDOOJYEGOE-XYOKQWHBSA-N	279.320	4.284	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(C)s1	105570992	IVKAWXWATKYJHL-UVTDQMKNSA-N	297.379	4.245	50	20	CIGD	
Cn1c(/C(C#N)=C\c2cc(Cl)cs2)nc2ccccc21	195224115	UZQICEZDZMGCCR-POHAHGRESA-N	299.786	4.352	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1ccsc1	255008477	PVMFTKLCRFBGQX-MDWZMJQESA-N	279.320	4.284	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(F)cccc1Cl	726594349	JRFWVULVEQVJDR-YIXGCBLDSA-N	265.715	4.001	50	20	CIGD	
CCC(=NNC(=O)C1CCC1)c1ccc(Cl)c(Cl)c1	731932884	BQOAWIFIPAWTJL-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)Nc1ccccc1	750818055	NWDVVBDWCOILEK-VBKFSLOCSA-N	288.350	4.110	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1	764892643	XUUUVDVECJOHOU-GDNBJRDFSA-N	281.742	4.438	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)ccc1C	194526010	QFJGOTQTUCFYJC-RIYZIHGNSA-N	297.379	4.163	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1C	208090521	WTGDBTRCLMXJEY-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
BrCC1(CCOCc2ccccc2)CCC1	306631285	DCSZAMFFXYJLOJ-UHFFFAOYSA-N	283.209	4.159	50	20	CIGD	
CC(C)(C(=O)NNc1c(F)cccc1Cl)C1CCCC1	770197719	ZWZLUGVSXLYNPB-UHFFFAOYSA-N	298.789	4.139	50	20	CIGD	
C[C@H]1CC[C@H](C)N1Cc1ccc(OCCCCl)cc1	811467316	KBECPFNMJPSFEN-KBPBESRZSA-N	281.827	4.067	50	20	CIGD	
C/C(=C/C(=O)NNc1c(C)cccc1C(C)C)c1ccco1	854580317	XDCGSEWTCAHQEQ-KAMYIIQDSA-N	298.386	4.258	50	20	CIGD	
CC(C)CCCNC(=O)CCCC[C@H]1CCSS1	914495188	MCVDQJQZGFUYBB-ZDUSSCGKSA-N	289.510	4.253	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1	179165612	CYBQCJRGIHCTKC-GVIGZQTCSA-N	297.354	4.354	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)s2)n1	209886903	HLEYBHUKWVSGBI-YWEYNIOJSA-N	266.778	4.231	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C)cc2C)c1	212139218	TUPBRVHGBKMOCB-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
CCC(C)(C)N(C)C(=O)CCCC[C@H]1CCSS1	736206087	CZDZJLFPBIYFEJ-LBPRGKRZSA-N	289.510	4.348	50	20	CIGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1ccccn1	741840345	QATZKPKGOLGPSM-FMIVXFBMSA-N	264.259	4.031	50	20	CIGD	
CC[C@H]1CCCCC1=NNC(=O)c1cccc(Cl)c1	779760361	RAAXCBMEUKPLHU-NSHDSACASA-N	278.783	4.026	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccnc2Cl)cc1C	809160283	LOGLAGYIXIBLHM-OQLLNIDSSA-N	296.757	4.142	50	20	CIGD	
CSSCCNC(=O)Nc1cccc(C2CCC2)c1	812994373	LAUYVEKKLVRXNE-UHFFFAOYSA-N	296.461	4.087	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1ccc(CC)cc1	915948592	WAUFPONWNUMDHR-ZDUSSCGKSA-N	274.408	4.181	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)c2ccoc2C)c1	53105918	FDRZMYGLOCETQH-XNTDXEJSSA-N	295.338	4.167	50	20	CIGD	
Cc1ccc(NNC(=O)c2cccc(Cl)c2Cl)cc1	120461924	MZDNCMSTIDZBGB-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	213512082	HLPSDHNUTVXXQJ-UVTDQMKNSA-N	297.354	4.337	50	20	CIGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1ccc(Cl)s1	588424958	SNULICBQGQQOPH-POHAHGRESA-N	291.734	4.330	50	20	CIGD	
N#C/C(=C\c1nccc2ccccc12)c1nc2ccccc2[nH]1	740764267	PYYOSDDRGGAVHZ-SDNWHVSQSA-N	296.333	4.175	50	20	CIGD	
CCCCCCCCC(=O)NNc1cccc2cnccc12	748759541	XUWCXUACHLRBGQ-UHFFFAOYSA-N	299.418	4.429	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@H]2CCCCC2(C)C)cc1	752610924	HSDJCGXIVNITJS-CQSZACIVSA-N	274.408	4.045	50	20	CIGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cccc(Cl)c1	779760360	RAAXCBMEUKPLHU-LLVKDONJSA-N	278.783	4.026	50	20	CIGD	
CC/C(C)=C(/C)C(=O)NNc1c(Cl)cccc1Cl	780982264	CVXAWIXXUOZWKS-HJWRWDBZSA-N	287.190	4.183	50	20	CIGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(Cl)cc1Cl	785612199	IIGNDZGTBSVVQL-ZDUSSCGKSA-N	287.190	4.039	50	20	CIGD	
CCCN(N=C1C=C(C)CCC1)C(=O)OC(C)(C)C	794993600	ZIRBCSKWOBOZIA-UHFFFAOYSA-N	266.385	4.120	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398545	IHIJYKGQEGAEHT-YRNVUSSQSA-N	272.373	4.406	50	20	CIGD	
CCc1ccc(CC)c(-c2csc(/C(C#N)=C(/C)N)n2)c1	806553154	IOVDESZXXHEIKE-PTNGSMBKSA-N	297.427	4.148	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1ccoc1	806556852	HXPXTEZBBJMAQF-NTUHNPAUSA-N	273.238	4.007	50	20	CIGD	
CC[C@@H]1CCCN1Cc1ccc(OCCCCl)cc1	811457010	FLQPJAGTALXNMX-OAHLLOKOSA-N	281.827	4.069	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1cccc2cccnc12	834948960	ONRGSGPBIQAOKC-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccoc2C)c1C	840733185	NLNVFETUAMUPIJ-MHWRWJLKSA-N	296.370	4.206	50	20	CIGD	
O=C(CCl)Nc1ccc(F)cc1-c1ccc(Cl)cc1	1116434281	OTRBXHBNMPUGGH-UHFFFAOYSA-N	298.144	4.323	50	20	CIGD	
N#CC(C#N)=Cc1ccc(Oc2cc(F)cc(F)c2)cc1	67005773	JCIJWFWQFJVWCO-UHFFFAOYSA-N	282.249	4.188	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Br)s1	171020249	MHUCSZUPKOUCMU-RMKNXTFCSA-N	298.205	4.033	50	20	CIGD	
ClCc1cc(-c2ccsc2)nn1C1CCCC1	409443239	JQUFUOOLQSVMIF-UHFFFAOYSA-N	266.797	4.466	50	20	CIGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1Cl)C(C)(C)C	748019008	UMIPSHUMPVCNDR-QMMMGPOBSA-N	289.206	4.119	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)OC1CCCCC1	771840403	ZTOXKIBTLMXSLV-UXBLZVDNSA-N	295.791	4.184	50	20	CIGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)C1CCCC1	781552588	AFAPTPBLNDSKAL-GHXNOFRVSA-N	277.726	4.145	50	20	CIGD	
CC(/C=C(\C#N)c1ccccn1)=C\c1cccc([N+](=O)[O-])c1	787168035	HQPARLHYMYSBCC-XHWVFBAXSA-N	291.310	4.000	50	20	CIGD	
Cc1ccccc1NNC(=O)c1cc2cccc(C)c2s1	808084316	MYUFRWDUXSYICT-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
Cc1ccccc1C(=O)NNc1ccc(Cl)cc1Cl	151912605	ZUUNXEHMUMKQQA-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccccn2)cc1Br	179773047	TZFOHVLOTQUSSU-MDWZMJQESA-N	299.171	4.217	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	726428949	QQDHMFARNJKNNU-OVGFGYAMSA-N	296.414	4.199	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)OC1CCCCC1	746520102	JUQLIYVRTRTMQM-RAXLEYEMSA-N	295.338	4.216	50	20	CIGD	
C=CCC(CC=C)C(=O)NNc1ccc(Cl)cc1Cl	748012151	KSISPLQEAKMYGK-UHFFFAOYSA-N	299.201	4.205	50	20	CIGD	
COc1ccsc1/C=C(\C#N)C(=O)c1cccc(C)c1C	764417937	QOMYVWGNMBKVNQ-UKTHLTGXSA-N	297.379	4.163	50	20	CIGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780808355	FYGFXMCQJLHGNN-OLZOCXBDSA-N	276.424	4.109	50	20	CIGD	
Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(C)c1	812764870	LCZZYKSYFREKTQ-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccnc(Cl)c1Cl	834429977	BPYPFPKEWIJXEL-MXFUOJGSSA-N	297.185	4.301	50	20	CIGD	
C[C@H](O)c1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1	853715951	JJGODYAAJDSIMK-ZDUSSCGKSA-N	296.483	4.141	50	20	CIGD	
C[C@H](c1ccccc1)N(C)C(=O)C1CCC(Cl)CC1	1346115291	HAOPPFHNMHEOKN-LRVUVFPRSA-N	279.811	4.004	50	20	CIGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)CC(C)C)c1	176903388	UMNKPBZXKJUNDV-MDWZMJQESA-N	293.313	4.119	50	20	CIGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(C)c2)cc1	214074058	BHWGHFMDDIBSOP-ATVHPVEESA-N	290.366	4.103	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)nc1)c1ccc2ccccc2n1	748997975	MPPCQURAZTWLGL-NTEUORMPSA-N	291.741	4.347	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1	772171661	LCWFFLRCJWGYKD-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	772171760	MCAHWXAEFLTEIA-YBEGLDIGSA-N	279.314	4.178	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774558096	JDISVWULZGRTEG-OQLLNIDSSA-N	296.301	4.415	50	20	CIGD	
Cc1ccc(-c2ccc(Cl)cc2NC=C(C#N)C#N)o1	794845232	KWBOIKWZPYAISO-UHFFFAOYSA-N	283.718	4.251	50	20	CIGD	
Cc1ccc(CC(=O)NNc2c(C)cccc2C(C)C)cc1	812765013	SAEZYVHPSDCMMA-UHFFFAOYSA-N	296.414	4.113	50	20	CIGD	
C=CCC(C)(C)C(=O)NNc1c(Cl)cccc1Cl	815818015	UATPYCJUKTWCRX-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	843266536	XBXSKRUWZJDSIX-UXBLZVDNSA-N	288.397	4.155	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C(C)(C)C)cc2)c1	857831185	YMLLUQKMYJSHFA-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c1	7158458	QXEBTVPVTCOMOO-NTEUORMPSA-N	296.757	4.194	50	20	CIGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)c1ccsc1	48639682	AQEIXLKEEPBSEB-UXBLZVDNSA-N	291.734	4.330	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(C)c2)s1	105570393	ICKSAVSSHTVBJU-JYRVWZFOSA-N	285.343	4.294	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)C(=O)C1CCCCC1	128920364	CDOQGJIPYMUDQY-VBKFSLOCSA-N	283.371	4.142	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(F)c2)c1C	727655441	SLDHEFCJNINSSW-OQLLNIDSSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cscc2Cl)cc1	764890909	GGGAFWPFFIWHDR-SDQBBNPISA-N	287.771	4.500	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	790220749	WNJYMLCGISTGPQ-SWEABUAFSA-N	297.398	4.388	50	20	CIGD	
C=CCCC(CC)=NN(CCC)C(=O)OC(C)(C)C	794997481	STFOXYQZLGVEGI-UHFFFAOYSA-N	268.401	4.366	50	20	CIGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cc2ccccc2o1	797401624	LZYSSBGNYMPHKE-CHWSQXEVSA-N	298.386	4.365	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)ccc1Cl	812245206	NVLGTSAZWPFISH-KPKJPENVSA-N	299.717	4.016	50	20	CIGD	
Cc1csc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)c1	863156171	OPOVLWIJGMWDOG-QWHCGFSZSA-N	290.432	4.133	50	20	CIGD	
CC(C)OC(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	917516863	HIAKJLFUFUTDDQ-SFQUDFHCSA-N	291.350	4.212	50	20	CIGD	
N#C/C(=C/c1cccc(OC2CCCC2)c1)c1ccccn1	54801690	YCPIUWPZJCDRPQ-VBKFSLOCSA-N	290.366	4.467	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	172214801	WLVHFWBRAPOTOJ-NTEUORMPSA-N	282.274	4.107	50	20	CIGD	
CSSCCNc1ccc(C#N)c(C(F)(F)F)c1	397986050	UMYKJSABIXVOLZ-UHFFFAOYSA-N	292.351	4.000	50	20	CIGD	
CCC1CCC(=NNC(=O)c2cc3ccccc3o2)CC1	749818146	RMNSEQYTGFHYLN-UHFFFAOYSA-N	284.359	4.119	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CCCc2sccc2C1	750802380	XJEWVXJAIVJFFP-FRKPEAEDSA-N	298.386	4.200	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(C)o1	767886963	OVUZZNPBTJVXAB-DHDCSXOGSA-N	291.310	4.011	50	20	CIGD	
N#CC1=CCN(Cc2ccc(-c3ccccc3)cc2)CC1	779591827	WBVNWTHCFNLQAX-UHFFFAOYSA-N	274.367	4.009	50	20	CIGD	
C=C[C@](C)(CC)C(=O)NNc1cc(Cl)ccc1Cl	785612848	XZYYMJBOWJOSDU-CYBMUJFWSA-N	287.190	4.039	50	20	CIGD	
CCCC1(C(=O)NNc2c(C)cccc2C(C)C)CC1	812766483	QJHXVZXURAIRIN-UHFFFAOYSA-N	274.408	4.142	50	20	CIGD	
CC(C)=CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	22927704	OGVXMYJBVVZJIT-UHFFFAOYSA-N	293.581	4.056	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)s1	59133127	HAMCRTQMLHNUSC-ZROIWOOFSA-N	296.395	4.219	50	20	CIGD	
CCc1oc2ccccc2c1/C=C(/C#N)c1ccccn1	208827045	UEVUAYANNQFMPS-QBFSEMIESA-N	274.323	4.454	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	726119082	TWXITRLSSPIMPF-PTNGSMBKSA-N	279.339	4.469	50	20	CIGD	
C=CCOc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	741473005	DRXGLSWBUNDNGW-DHDCSXOGSA-N	296.395	4.389	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741841899	CRCNIPXDPALMRM-MJWAUXSNSA-N	271.291	4.094	50	20	CIGD	
Cc1cccc(C)c1C(=O)NNc1ccc(C(C)(C)C)cc1	781041899	UDZNISNZIGCVCP-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
C=C(CBr)CN(C)[C@H](C)c1ccc(C)cc1C	791447631	KEIPDRFTBJKZDY-CQSZACIVSA-N	296.252	4.247	50	20	CIGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)c1ccoc1	806558036	PWBXLISAKQVJST-WZUFQYTHSA-N	292.121	4.376	50	20	CIGD	
FC(F)(F)C[C@H](CBr)CC1CCC1	409423247	BAJXFFQTYNVPHL-MRVPVSSYSA-N	259.109	4.140	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1	726428343	KGEVFEKEALHPOI-HOPBCAONSA-N	253.345	4.155	50	20	CIGD	
CCC1(C(=O)NNc2ccc(Cl)cc2Cl)CCC1	748009075	DDRFMVQDYRKEEU-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@@H]2CCCCC2(C)C)cc1	752610923	HSDJCGXIVNITJS-AWEZNQCLSA-N	274.408	4.045	50	20	CIGD	
C/C(=C/c1ccccc1)CN(C)C[C@@H](C)CBr	755192374	ATZWOZIFWJOUIV-XXYUJHKVSA-N	296.252	4.053	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)c1ccccc1	759643498	MTOOIMIJFVRBRM-UKTHLTGXSA-N	285.705	4.269	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)o1	809145910	JHBPZRSBAMZVTL-GDNBJRDFSA-N	279.339	4.249	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnc(C(C)C)s1	123498275	NUACVSUTDSHAHC-KPKJPENVSA-N	276.405	4.179	50	20	CIGD	
CC(C)[C@@H](CBr)CCOCc1ccccc1	306558320	ONENKRASNDAEDF-CQSZACIVSA-N	285.225	4.260	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCCc2sccc2C1	750801336	MFDJACSIZKKTMO-LZYBPNLTSA-N	280.396	4.061	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccccc1C1CC1	750817999	LWKHIHPRBWNOHX-GDNBJRDFSA-N	253.345	4.086	50	20	CIGD	
O=C(NNc1ccccc1F)Nc1ccc2ccccc2c1	769923827	QMDVFPSWSUVDHF-UHFFFAOYSA-N	295.317	4.128	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)CC(C)(C)C	777872869	ZWHXNXXXNJBOIE-QPEQYQDCSA-N	259.324	4.046	50	20	CIGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)c1ccoc1	798230617	SXSATPRMKSEVKA-UXBLZVDNSA-N	292.121	4.376	50	20	CIGD	
Cc1ccccc1NNC(=O)c1ccc(C2CCCC2)cc1	810019514	LBIREASLFYSHLB-UHFFFAOYSA-N	294.398	4.410	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccn2C2CC2)c1C	1326045523	IORMDKZPQYSVJX-PTNGSMBKSA-N	290.366	4.230	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	741473320	GVYLGBPGONAYIQ-BZPKPHBRSA-N	279.742	4.391	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1C	741474979	UOMFKZWQTGOXLV-KWZJRMENSA-N	255.361	4.216	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2s1	758418870	SCIFHNCHDHCUTA-VSXLWIIGSA-N	269.369	4.423	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)o1	760209027	CAYWHTMPDKDUBY-GXDHUFHOSA-N	279.339	4.249	50	20	CIGD	
C=C(CBr)CN(C)[C@H](c1ccccc1)C(C)C	791457723	AUMGORIYDXTMCB-HNNXBMFYSA-N	296.252	4.267	50	20	CIGD	
CCCN(N=C1CCC[C@@H](C)[C@H]1C)C(=O)OC(C)(C)C	794997342	XXXPDXALYCIMOT-CHWSQXEVSA-N	282.428	4.446	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1	809145627	BRGXYMNUYCVVTF-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
FC1(F)CC(c2cccc(CBr)c2)C1	1537963433	XUQGOTXHCOBNKS-UHFFFAOYSA-N	261.109	4.094	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	101592594	BOUSTOFULNYFDN-ZSOIEALJSA-N	254.358	4.078	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1cc2c(s1)CCC2	749157056	RPPIPVKFBWAQNA-UHFFFAOYSA-N	290.432	4.089	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1F)c1nc2ccccc2[nH]1	759644245	PTLHIPPGMUMHNM-FLIBITNWSA-N	297.720	4.420	50	20	CIGD	
COc1ccsc1/C=C(\C#N)C(=O)c1cc(C)cc(C)c1	764417165	NIELZLGDMMAQOS-NTEUORMPSA-N	297.379	4.163	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)cc(C)c2)cc1	764891928	PFWMBVBQLSSRSY-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
Cc1ccc(NC(=O)NNc2ccccc2Cl)c(C)c1	769924456	YDFSSPXGMSJWBC-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)c1cccc(F)c1	773172313	QHHVOBWMHYOURK-JPAWQYAOSA-N	295.288	4.311	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)[C@@H](C)CC)c1	773915949	RYCRUARNYDYHSO-XDUBLRSXSA-N	255.361	4.161	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1c[nH]c2ccccc12	834919139	GRXVOXYXRANLKN-UHFFFAOYSA-N	283.375	4.020	50	20	CIGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)CCl	1336910670	XGIHJQJTZVNCND-UHFFFAOYSA-N	278.204	4.018	50	20	CIGD	
Br[C@@H]1CCCCC[C@@H]1OC1CCCCC1	50502643	QKFHXTWRVOLPPE-OLZOCXBDSA-N	275.230	4.432	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccs2)c1	60422081	NFBWFBHPYZTHOQ-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccs2)n1	255564834	LXFMWTHBDWASTB-UXBLZVDNSA-N	260.387	4.392	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2ncccc2c1	263689756	KSBNYQRSRVKTLQ-WJDWOHSUSA-N	278.355	4.147	50	20	CIGD	
C=C(CBr)CN[C@H](CCC)c1ccccc1	310012497	JDKVHHHICKKJHB-CQSZACIVSA-N	282.225	4.069	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	588394009	FTFPTEVKCYEJLH-ZSOIEALJSA-N	282.274	4.107	50	20	CIGD	
C[C@@H](CBr)CN(CC1CC1)C1CCCCC1	770650049	PPKJUOOYARDZMC-LBPRGKRZSA-N	288.273	4.062	50	20	CIGD	
ClCc1csc(C23C[C@H]4C[C@H](C2)C[C@@H](C3)C4)n1	1857776552	ADUVVOVMHYJPLH-UCDZNDNASA-N	267.825	4.350	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)s1	6958717	WTDBQSOAENHECO-RAXLEYEMSA-N	296.395	4.165	50	20	CIGD	
C[C@@H](Br)CCCc1nc2ccccc2s1	86826480	PIAPKLPIYMZTPK-SECBINFHSA-N	284.222	4.402	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2oc3ccccc3c2C)c1	126566514	GLUDJWDHPYZQKO-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1ccccn1	179367586	AIZLCNPLDDYCPF-JLHYYAGUSA-N	260.296	4.200	50	20	CIGD	
CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184428176	NVARMRFWKKZBLD-UHFFFAOYSA-N	276.230	4.095	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	194854957	KBRNTWDKMQHEJW-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C	731155838	VCGRWAODCKBBNB-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2c(C)cccc2C)c1	755585891	BVXMJAWIYIZEGN-WJDWOHSUSA-N	291.350	4.102	50	20	CIGD	
Cc1ccccc1[C@@H](C)OC(=O)/C(C#N)=C\c1ccccc1	785378533	PMXYIPDVNPPLND-UHVIJJLKSA-N	291.350	4.206	50	20	CIGD	
N#C/C(=C/c1cccs1)c1cc(C(F)(F)F)ccn1	812248444	NAYCWHNXAYNXDR-TWGQIWQCSA-N	280.274	4.226	50	20	CIGD	
Cc1ccc(-c2ccc(C=C(C#N)C#N)s2)cc1	49100163	DXDJYIGKMCACHZ-UHFFFAOYSA-N	250.326	4.154	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2F)s1	105571057	RNQRJTSXRHQBBG-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
CCc1sc(C(=O)NNc2ccc(Cl)cc2)cc1C	120358913	NRTLUJYHIKOAOY-UHFFFAOYSA-N	294.807	4.029	50	20	CIGD	
Cc1nc(/C(C#N)=C/C=C/c2ccccc2)sc1C	741475248	WQYZOSOHNSNHQP-UJHPFZFGSA-N	266.369	4.380	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)o1	760210915	KAVQQYMLNRGVAL-UVTDQMKNSA-N	294.354	4.005	50	20	CIGD	
CC1(C)CCCC(=NNC(=O)c2cccc(Cl)c2)C1	767759956	BKKVVJURVMMGTR-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2cc3ccccc3o2)C1	794520880	WGQCHPBBLUOORX-ZDUSSCGKSA-N	298.386	4.365	50	20	CIGD	
COc1ccc(C(=O)/C=C\c2cccc(CCl)c2)cc1	799889988	XYOQEXABUXCVJK-YHYXMXQVSA-N	286.758	4.330	50	20	CIGD	
Cc1c(C(=O)NNc2ccc(C(C)C)cc2)ccn1C(C)C	837052985	ITZIUIBEZNBROX-UHFFFAOYSA-N	299.418	4.258	50	20	CIGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)C(C)C	916350100	ACJCLQFHAFHPCQ-UHFFFAOYSA-N	292.448	4.169	50	20	CIGD	
COc1cccc(/C=C(/C#N)c2ccc3ccccc3n2)c1	917146663	UIPCYVCFZMLTED-WJDWOHSUSA-N	286.334	4.308	50	20	CIGD	
CC(=NNC(=O)c1ccccc1Cl)C1CCCCC1	1317706746	VUEBZMVTSPXVTD-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CC1(C)CCCC(=NNC(=O)c2ccccc2Cl)C1	1322668874	DIINEFHHTFRCRD-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CCCCO[C@H](CBr)c1cccc(C)c1	50479874	GVFDZUIGTYRWKN-CYBMUJFWSA-N	271.198	4.248	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cnc(C(C)C)s2)sc1C	125554379	HTRYCFOAERQGES-WZUFQYTHSA-N	289.429	4.404	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)o1	155147804	KPYLYIDFFPOGFW-UVTDQMKNSA-N	294.354	4.005	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)C(C)(C)C)c1OC(F)F	588393660	QCLBWEJGKBRAHF-WQLSENKSSA-N	293.313	4.119	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(C)c1C	731158712	GTDIVNNJIGXRKE-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)cccc2C)c1	755573237	SKDHUSSCUIRWFF-WJDWOHSUSA-N	290.366	4.158	50	20	CIGD	
N#C/C(=C/c1ccccc1C#N)c1cc(C(F)(F)F)ccn1	812246066	CDPKHYXPAMLWSF-QPEQYQDCSA-N	299.255	4.036	50	20	CIGD	
CCc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1	812768703	CDCFSBVHSMFZIF-UHFFFAOYSA-N	296.414	4.438	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1sccc1C	44028441	RZORJSAPOFXZIS-YRNVUSSQSA-N	273.382	4.216	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	125453757	IVRZWCOWCMOEJC-DHDCSXOGSA-N	268.385	4.387	50	20	CIGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)c2ccsc2)c1	255472096	BHWKAUIZRKOFPR-DHDCSXOGSA-N	295.363	4.103	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	741473569	JFAMIHLFSLUELE-VQCBNXJZSA-N	285.387	4.386	50	20	CIGD	
CC[C@H](CC(=O)NNc1cc(C)ccc1C)c1ccccc1	748402646	PFNBFILIKOBBIB-MRXNPFEDSA-N	296.414	4.330	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	782197207	PHTPXNJRPAHKIV-GHXNOFRVSA-N	279.742	4.391	50	20	CIGD	
CCc1ccc(C(=O)NN=C(CC(C)(C)C)C2CC2)cc1	787151768	QZZLPYMCPQLALM-UHFFFAOYSA-N	286.419	4.181	50	20	CIGD	
Cc1cc(Cl)cc(/C=C(\C#N)C(=O)C(C)(C)C)c1	834398451	JOYOBSCIQJRTHJ-KPKJPENVSA-N	261.752	4.171	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)CC(C)(C)C)c1F	834417082	CORJPNBLFNAWAC-MDWZMJQESA-N	259.324	4.046	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)s1	1712497	MKNDRSDQMNKMSF-XYOKQWHBSA-N	270.313	4.029	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	48625302	DWVRSHLZULIHMW-XCVCLJGOSA-N	268.143	4.125	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1cccc2ccccc12	786667808	AZAKETMCDHAZES-KWWJGWKXSA-N	291.350	4.304	50	20	CIGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1ccccc1F	916290937	CSVIMWJMZTXAMH-AWEZNQCLSA-N	290.382	4.314	50	20	CIGD	
Cc1ccccc1[C@H](NC(=O)CCl)[C@@H]1CCC[C@@H](C)C1	1253967988	IYKTWCGVGPAWNJ-SUYBPPKGSA-N	293.838	4.217	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	34806951	UBAFHFHNXIJKNR-GDNBJRDFSA-N	294.310	4.058	50	20	CIGD	
CC(C)CO[C@@H](CBr)c1ccc(Cl)cc1	50480867	IHJINBFJEYMPQD-LBPRGKRZSA-N	291.616	4.449	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)cc1	206949010	OIDVPWXMJZFNJC-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CC(/C=C(/C#N)C(=O)c1ccco1)=C\c1ccccc1	212646933	WEKZSZDMBXUEFH-RJSPBKBSSA-N	263.296	4.016	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)c1nc(C(C)C)cs1	266966300	FORIDRHMUHKCQZ-IZZDOVSWSA-N	258.346	4.232	50	20	CIGD	
ClCC1(CCCOCc2ccccc2)CCC1	307651534	MHKVRHLJKQKQNI-UHFFFAOYSA-N	252.785	4.393	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	588597446	KJHFKNSRXLFICU-GDNBJRDFSA-N	295.313	4.014	50	20	CIGD	
CCCCCC(C)=NNC(=O)CCCc1ccccc1	727689610	WDIDXHOXMHERAX-UHFFFAOYSA-N	274.408	4.082	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	749892229	UBVAQHNVSCMORP-GDNBJRDFSA-N	294.354	4.254	50	20	CIGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)[C@H]1c1ccccc1	750801370	ZRAHFUOBRBLWEU-LLQVOFOBSA-N	292.357	4.383	50	20	CIGD	
CCCN(N=C1CCC[C@@H](C)[C@@H]1C)C(=O)OC(C)(C)C	794997343	XXXPDXALYCIMOT-OLZOCXBDSA-N	282.428	4.446	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)c2ccccc2c1	834421645	STWPCSIOCMHRNJ-RKPNYOAGSA-N	293.366	4.371	50	20	CIGD	
Cc1ccc(Cl)cc1NNC(=O)c1occc1C(C)C	885126740	DYBWVKWNFKOMAZ-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
Cc1cccc(NC(=O)CCCC[C@H]2CCSS2)n1	69191351	YBIYYAZQOHOGHG-LBPRGKRZSA-N	296.461	4.043	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)c1ccc([N+](=O)[O-])cc1	195332903	KVQWZIUEHBHKRY-YFHOEESVSA-N	290.731	4.374	50	20	CIGD	
CCCC(CCC)C(=O)NNc1ccc(Cl)c(F)c1	753657035	SDMVSOLZMXGZPZ-UHFFFAOYSA-N	286.778	4.139	50	20	CIGD	
N#C/C(=C/c1c(Cl)cncc1Cl)C(=O)C1CCCC1	865222265	RJQKSQHTJCRVJJ-YHYXMXQVSA-N	295.169	4.055	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc3ncccc3c2)n1	917042419	BVSSUDJPIPDEMU-ZSOIEALJSA-N	277.352	4.064	50	20	CIGD	
C/C(=C/c1cnn(CCCl)c1)c1ccc2ccccc2n1	1116936173	WTVMFVXUBZXRTK-RAXLEYEMSA-N	297.789	4.231	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccsc2)cc1	7208175	PXEPLILYMPKTFJ-MHWRWJLKSA-N	281.380	4.490	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	158294148	ZXBXFBDOEUQQLL-FOWTUZBSSA-N	290.366	4.271	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(F)c2F)c1C	730729368	HVVRAWDHHMNUGI-NTEUORMPSA-N	297.304	4.372	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)[C@@H](C)CCC)cc1	741470031	OXRXFKREMLGHPQ-AOHITCTBSA-N	285.387	4.388	50	20	CIGD	
CC[C@@H](CC(=O)NNc1cc(C)cc(C)c1)c1ccccc1	748362691	RNTNSGARMNVUNQ-INIZCTEOSA-N	296.414	4.330	50	20	CIGD	
N#C/C(=C\c1ccccc1)C(=O)c1ccc(OC(F)F)cc1	776259347	IGFGLXHWEQZHTN-GXDHUFHOSA-N	299.276	4.078	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1ccsc1	799891653	QZOZZQXLWCLWRP-AUWJEWJLSA-N	287.771	4.277	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1F	1338764889	LWBHGSYITXGASO-OQLLNIDSSA-N	279.314	4.232	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	171020051	QSNIFPXYLHEADV-KPKJPENVSA-N	281.277	4.228	50	20	CIGD	
CC(C)Cn1cc(CBr)c(-c2ccsc2)n1	409443620	QMZCJRSXBFKMDB-UHFFFAOYSA-N	299.237	4.163	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1sccc1Cl	780004216	IJOXYOOWEROCPN-PKNBQFBNSA-N	296.823	4.005	50	20	CIGD	
CCC[C@](C)(CC)C(=O)NNc1c(F)cccc1Cl	793838229	HJDYGOVIYZJLHL-AWEZNQCLSA-N	286.778	4.139	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2cc(Cl)cnc2o1	834421679	SXIDIHAJYRDRJW-ISAHRAOESA-N	288.734	4.003	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc2ccoc12	1328084129	DECZBRUTNOHLPJ-GDNBJRDFSA-N	267.328	4.345	50	20	CIGD	
BrCc1ccc2c(-c3ccoc3)ccnc2c1	95642891	ASFFIJODLGSLPZ-UHFFFAOYSA-N	288.144	4.390	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1ccsc1	195228024	DAUIUQRMNCZUBI-WEVVVXLNSA-N	279.773	4.253	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)c1	206949320	XPVFMZNFVSBSMZ-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1	727655609	YVWULTLRZCAJFD-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1ccc(F)cc1	750817726	JEGLUNGKODSSDV-LFIBNONCSA-N	291.325	4.493	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)s1	767714482	QEPAARWVOCHRPC-UKTHLTGXSA-N	259.374	4.113	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cscc1Cl	794873969	IJMLMWBXIAVQBQ-UITAMQMPSA-N	267.781	4.314	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)c1ccoc1	798230911	UUVUBDAAUNUZGE-GHXNOFRVSA-N	291.228	4.088	50	20	CIGD	
Cc1ccccc1[C@H](CBr)OC1CCC1	52146911	IHNNCCMZEHPMQT-ZDUSSCGKSA-N	269.182	4.000	50	20	CIGD	
CCc1c(Cl)c(CCl)nc2cccc(C)c12	95942526	LFBRAJFRAYRZGR-UHFFFAOYSA-N	254.160	4.498	50	20	CIGD	
ClCC1(CCOCc2ccccc2)CCCC1	307422199	SDXUJQJBYSSGBP-UHFFFAOYSA-N	252.785	4.393	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	741471305	YTPBGVJMUFZHLQ-KNGSKEOJSA-N	285.387	4.386	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1ccc(Cl)nc1	743815376	ALHFSAUANWDKJZ-LBPRGKRZSA-N	297.830	4.175	50	20	CIGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1ccoc1	798230122	MACMJNKYZPBPMI-YVLHZVERSA-N	273.291	4.223	50	20	CIGD	
Clc1cccc(CO[C@H]2CCC[C@@H]2Br)c1	83473516	CFZGIOYPMDTEOL-RYUDHWBXSA-N	289.600	4.173	50	20	CIGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccccc3)oc12	111551142	YMIKRKFYKDRNAT-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C(C)C)cc2)c1	127631335	YUIGUAPHQIGVEJ-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2C)cc1	154301086	BUIYLDVDQODDKI-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccccc1	254840012	UDTNBAJKWQOUPE-UHFFFAOYSA-N	260.381	4.153	50	20	CIGD	
CC[C@@](F)(CBr)c1ccc(Cl)cc1	409429230	QFTQDTYBMGGPHP-SNVBAGLBSA-N	265.553	4.310	50	20	CIGD	
CC[C@H](C)C(C)=NNC(=O)c1c(Cl)cccc1Cl	727781567	QKXFUQPBTQKCNM-QMMMGPOBSA-N	287.190	4.145	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	749893219	DRVVNOKIPXFXQM-LERPTODRSA-N	294.354	4.254	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1	756746428	ZRNBIYHCRSREQK-HRCADAONSA-N	286.419	4.045	50	20	CIGD	
CC(C)(C)CCC(=O)NNc1ccc(C(C)(C)C)cc1	780806331	KQEUYVINSQELQZ-UHFFFAOYSA-N	276.424	4.254	50	20	CIGD	
Cc1cccc(NNC(=O)CCCCC(C)(C)C)c1	806398485	JIDPWUOOOGNKMR-UHFFFAOYSA-N	262.397	4.045	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(F)c2)cc1C	809146458	PDXNRURRBZHTBS-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(NCc2ccc(OCCCCl)cc2)cn1	811484119	PWIHCTNLALMVBV-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
Cc1ccccc1NNC(=O)c1cccc(C(C)(C)C)c1	846801002	OYQXQEQZWBCEMV-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
CCCCC(C)=NNC(=O)c1ccc2ccccc2c1	917547016	KDZAVVAHDXUWKA-UHFFFAOYSA-N	268.360	4.136	50	20	CIGD	
CC(C)(C)CCO[C@@H]1CCCC[C@@H]1Br	85341075	JJWBOHDHHWDWDV-WDEREUQCSA-N	263.219	4.145	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)C)cc(C)c1OC(F)F	128085104	NYHVJFQTXAIKSD-NTUHNPAUSA-N	293.313	4.037	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(CC)cc1	741469713	MISNIBMNMKZQOG-RERGGYADSA-N	255.361	4.161	50	20	CIGD	
COC(=O)N(C)N=C(CC(C)(C)C)c1ccc(Cl)cc1	794959618	LQZTUPRIEXWOBZ-UHFFFAOYSA-N	296.798	4.179	50	20	CIGD	
Cc1ccc(C)c(C(=O)NNc2c(C)cccc2C(C)C)c1	812769644	QUBXSHJDMPZXTI-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)C1CCCC1	914835794	SUXQQWICLUCNHQ-CQSZACIVSA-N	264.413	4.051	50	20	CIGD	
CCCCCCNC(=O)CCCC[C@@H]1CCSS1	42063801	HSEPNJRXPWMKQB-CYBMUJFWSA-N	289.510	4.397	50	20	CIGD	
CC[C@@H](Br)C(=O)c1ccc(Cl)c(Cl)c1	57666240	KZRPLFKVXPXPJR-SSDOTTSWSA-N	295.991	4.350	50	20	CIGD	
C[C@@H](CBr)Cc1cc(Br)cs1	85052006	CGVCICRPIIEUKO-ZCFIWIBFSA-N	298.043	4.084	50	20	CIGD	
Cn1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	160185823	ZNTBHSSRXKRBMJ-DHDCSXOGSA-N	291.379	4.213	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2ccc(Cl)cc2F)CC1	747643424	HUAFXAVZGLIYJO-UHFFFAOYSA-N	296.773	4.165	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1cc2ccccc2o1	749817669	MXPIHEXHQIKQCX-UHFFFAOYSA-N	272.348	4.119	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)C2CCCCC2)c1	767712743	FYBRVXOORMYLMO-GZTJUZNOSA-N	267.372	4.360	50	20	CIGD	
CCCCOc1cccc(NC(=O)NNc2ccccc2)c1	769978880	RTQUZRYBJVREHS-UHFFFAOYSA-N	299.374	4.014	50	20	CIGD	
CC(/C=C(/C#N)C(=O)C1CCCC1)=C\c1ccccc1	781554587	RTHLQKSACYAION-YYMXQEISSA-N	265.356	4.299	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(C)n1CC(C)C	915841830	PXOVCGGPNYULRQ-CXUHLZMHSA-N	286.419	4.283	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc(CC(C)C)cc2)c1	916549922	ZXLYVJHONBNECT-UHFFFAOYSA-N	296.414	4.259	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	916650716	JGJGSQSFULAXCT-ATVHPVEESA-N	284.403	4.023	50	20	CIGD	
CC(C)N(Cc1cccs1)C(=O)C1CCC(Cl)CC1	1345684189	ZCFGRBKISBUUDH-UHFFFAOYSA-N	299.867	4.283	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H]1c1ccccc1	1346127168	DPWCAPAYTSOGFI-UYSNPLJNSA-N	291.822	4.148	50	20	CIGD	
CCCC(C)(C)NC(=O)CCCC[C@@H]1CCSS1	50808831	JGVGYHSPCXIZJM-GFCCVEGCSA-N	289.510	4.395	50	20	CIGD	
C=CCCCOC(=O)CCCC[C@@H]1CCSS1	139969445	WEIYCLPQPQLXAF-GFCCVEGCSA-N	274.451	4.210	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1F	255556408	SCVIRFMCCKCRKV-ZROIWOOFSA-N	283.277	4.063	50	20	CIGD	
CCCCc1ccc([C@@H](NC=C(C#N)C#N)C(C)C)cc1	747840257	LSGWIPGJENSGBI-SFHVURJKSA-N	281.403	4.247	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@H]1c1cccc(F)c1	750803358	YROWEOMOIVEAAO-ZUPDTJCQSA-N	296.320	4.276	50	20	CIGD	
C=C[C@](C)(CC)C(=O)NNc1c(Cl)cccc1Cl	785606546	LIPPSFZXEYUUNV-CYBMUJFWSA-N	287.190	4.039	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	918713540	KUUREAVRKRWCCA-RVDMUPIBSA-N	285.387	4.388	50	20	CIGD	
N#C/C(=C/c1ccco1)C(=O)c1cc(Cl)cc(Cl)c1	49322465	BSWIWSROTHSGCO-POHAHGRESA-N	292.121	4.376	50	20	CIGD	
CC(C(=O)NNc1cccc(C(F)(F)F)c1)=C1CCCC1	151486348	AEHCPTHKWVOMOG-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CC2CCCCCC2)c1	748366315	OKFLAIZWCLWSAW-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)C1CCCC1	781554439	PGFSOBFMCSZRIF-XNTDXEJSSA-N	292.338	4.008	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794866451	OXOAMRPSCCMLAE-WQLSENKSSA-N	263.287	4.146	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(F)c1F	853002218	IYWBMCQILNYAJN-JXMROGBWSA-N	281.277	4.016	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cccnc2)cc1	915862744	UXYOACBQMOCROQ-WJDWOHSUSA-N	290.366	4.169	50	20	CIGD	
CCC/C=C\C(=O)NN(Cc1ccccc1)c1ccccc1	920431991	YLYPKNMVMRNXFA-UUASQNMZSA-N	294.398	4.081	50	20	CIGD	
Cc1ccc(NNC(=O)c2cccc(C3CCC3)c2)cc1	281153582	BMJYPCQADTXNGV-UHFFFAOYSA-N	280.371	4.019	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2ccc(Cl)nc2)ccc1[N+](=O)[O-]	774560451	XVGMTJXTWORRGE-QPEQYQDCSA-N	299.717	4.016	50	20	CIGD	
C[C@H](c1ccc(Cl)c(Cl)c1)N1CC=C(C#N)CC1	779588698	CJUDZAKBYUWSCD-SNVBAGLBSA-N	281.186	4.210	50	20	CIGD	
C=CCC[C@@H](NCC(=C)CBr)c1ccccc1	791492126	GLFSXBFYYMNVEV-OAHLLOKOSA-N	294.236	4.235	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc(F)cc1	799888220	BRGKHPFHGVQBRL-RUDMXATFSA-N	274.722	4.461	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1Cl)c1nc2ccccc2[nH]1	128675822	SGFPSBNEPURHJK-XFFZJAGNSA-N	297.720	4.420	50	20	CIGD	
CC(C)(CCCCCl)c1nc(O)c2sccc2n1	278247994	MGKAIKCIEWIKIE-UHFFFAOYSA-N	284.812	4.084	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	730149410	HWODQFPPVQIUFE-KNGSKEOJSA-N	285.387	4.244	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)o1	760210326	LWZJSZVQIWLFBJ-FMIVXFBMSA-N	285.730	4.285	50	20	CIGD	
Cc1cc(C)c(C(=O)NNc2c(C)cccc2C(C)C)o1	812766795	XPCXYVMGNSHQJI-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)C(C)C)cc1Cl	179060016	NWLFIZHYXOBBNE-ONNFQVAWSA-N	298.169	4.134	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1C	255212320	DTCHOXWBNILNQP-DHDCSXOGSA-N	298.411	4.285	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)s1	727655198	RATQXZRFAQOKQK-ZROIWOOFSA-N	281.380	4.463	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cscc1Br	794689070	PWKODQPVNRXHCJ-YWEYNIOJSA-N	298.205	4.033	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCCCC1	812768914	MUXNWKCEDGCLDM-UHFFFAOYSA-N	274.408	4.142	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	78267735	VNRKFPXOCFQUEF-TWGQIWQCSA-N	299.342	4.258	50	20	CIGD	
C[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	101692956	JDOZTGIYFIUMNL-STQMWFEESA-N	287.494	4.102	50	20	CIGD	
N#C/C(=C\c1cc(Cl)ccc1F)c1nc2ccccc2[nH]1	178863345	IGMDLKHNCZNXLW-YRNVUSSQSA-N	297.720	4.420	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)c1cnc2ccccc2n1	191361918	OTTGFGYORQMFRI-XNTDXEJSSA-N	271.323	4.002	50	20	CIGD	
Cn1c(/C(C#N)=C\c2ccc(Cl)s2)nc2ccccc21	255607932	SXQUKKLMAGDIID-NTMALXAHSA-N	299.786	4.352	50	20	CIGD	
CC[C@@](C)(CBr)CCOCc1ccccc1	306492985	YEVRGGGJXPKMRG-CQSZACIVSA-N	285.225	4.405	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1C	726429247	HJALGWPMYGBLTI-UJFYRASASA-N	255.361	4.134	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1OC(C)C	741474868	SMFVBRWGLBNPQN-VQCBNXJZSA-N	285.387	4.386	50	20	CIGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc(C)cc2)cc1	749192250	DDARCDJRPDXUTM-AWEZNQCLSA-N	282.387	4.265	50	20	CIGD	
C[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)C1CCCC1	780806060	STUPSSCRWAILTR-CYBMUJFWSA-N	288.435	4.254	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@H]2C)o1	794872876	AGAQTKSOCFUXPN-NQFXMWKNSA-N	271.360	4.315	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(F)c1F)C(=O)C1CCCCC1	853003718	OYFPFSMVSKVZCX-WQLSENKSSA-N	293.288	4.160	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc3ccccc3c2)c1	126655468	CTUKKFKXYRISAC-UHFFFAOYSA-N	290.366	4.214	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2)s1	255628320	CBZRDWDHZAGJKL-XYOKQWHBSA-N	287.771	4.500	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1cccc(F)c1	588600832	RBQUHKDAJKMWEN-BJMVGYQFSA-N	291.734	4.330	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(CC)s1	741472950	DCXMCTLPJSXDJM-AWPPVZKDSA-N	261.390	4.223	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CC23CCCC3)cc1	780801995	BBKRHYOXIJJNEL-OAHLLOKOSA-N	286.419	4.008	50	20	CIGD	
CCC(CC)(CC)C(=O)NNc1ccc(Cl)c(OC)c1	790186104	FFRHBLLIPJQLGW-UHFFFAOYSA-N	298.814	4.008	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1Cc2cccc(Cl)c2C1	805804649	COOIWUJIDFAGCL-RQZCQDPDSA-N	280.758	4.220	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@@H]2CCCC[C@H]2C)cc1Cl	1318013822	WKQGRJGKBHFSLV-YPMHNXCESA-N	294.826	4.308	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1322123382	SOUVRTONAWHPJR-YBEGLDIGSA-N	267.372	4.088	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	726428957	QQDHMFARNJKNNU-XOAFGZPJSA-N	296.414	4.199	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1C	731155837	VCGRWAODCKBBNB-MHWRWJLKSA-N	278.311	4.276	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1ccc(Cl)cc1F	747643187	ACWZANZEMBSYIA-UHFFFAOYSA-N	284.762	4.165	50	20	CIGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1cc2ccccc2o1	797401627	LZYSSBGNYMPHKE-STQMWFEESA-N	298.386	4.365	50	20	CIGD	
N#C/C(=C\c1cccc(F)c1)c1cc(C(F)(F)F)ccn1	812248865	SSICWVVVVYCUER-IZZDOVSWSA-N	292.235	4.304	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)c(Cl)c1	918714064	QLEMLKUDMLALLY-KPKJPENVSA-N	291.778	4.261	50	20	CIGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1	7167515	YSPFBHXCVWUKAP-WDGDVPDHSA-N	294.354	4.339	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(F)cc1	7350274	ZUYLMZWOLVAXEP-RVDMUPIBSA-N	295.313	4.014	50	20	CIGD	
N#CC(C#N)=Cc1ccc(-c2ccc(Cl)cc2)cc1	202219416	RRZIPESBWCRWKT-UHFFFAOYSA-N	264.715	4.438	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccsc1	255265822	JBSKCYAFJPADBZ-SDQBBNPISA-N	273.744	4.191	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@H]1c1ccccc1	747619558	NTICMMSALWQGLT-DAIOKFOQSA-N	278.330	4.137	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	794952906	JYYFWSWVSDQTJR-WOXAVFRBSA-N	289.325	4.433	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc(C3CC3)c2)n1	817343028	IIAYEOFGPMHJBP-OVCLIPMQSA-N	266.369	4.393	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863184855	QEZYZVYZELLEKG-UXBLZVDNSA-N	287.306	4.289	50	20	CIGD	
CCc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)cc1	916329821	YOAOQCFXUDOTCP-NVXWUHKLSA-N	298.430	4.325	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)CCC3)sc1C	1116132060	QZWGOHVZFGMGSU-CXUHLZMHSA-N	280.396	4.313	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2sccc2C)c(C)c1	48639778	VXFKUNJMMCADSZ-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2C(C)(C)C)c1	158942255	FMQQHCRKSLVIBO-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1	172814326	MMXPOZOQBMPZLU-WJDWOHSUSA-N	285.350	4.116	50	20	CIGD	
Cc1ncsc1/C=C(\C#N)c1nc(C(C)C)cs1	176939590	NVMOOEGRQJLURE-ONNFQVAWSA-N	275.402	4.096	50	20	CIGD	
CCC[C@@H](CC)NC(=O)CCCC[C@@H]1CCSS1	195149797	WFRHHMCAZXKJFQ-CHWSQXEVSA-N	289.510	4.395	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2C)c1	211486365	JOBNDWBOUFJZRC-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C)c(C)c1	726118161	JOOHZKAOWOKCNK-YBEGLDIGSA-N	255.361	4.216	50	20	CIGD	
Cc1ccccc1-c1cccc(C=NNC(=O)C(C)(C)C)c1	729637871	WGEOUGIOTGSOMJ-UHFFFAOYSA-N	294.398	4.158	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@@H](c2ccc(F)cc2)C1	755996755	ULFFKRNKTKRJMF-OXNWSPOFSA-N	292.357	4.180	50	20	CIGD	
N#C/C(=C\c1ccc(C#N)cc1F)c1ccc2ccccc2n1	772804241	CLNBKXZYFWNNDQ-MHWRWJLKSA-N	299.308	4.310	50	20	CIGD	
Cc1cccc(NC(=O)NNc2ccc(Cl)cc2)c1C	778219493	GUZQRWDNVFBCAC-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccsc1Cl	794873699	GAJRZDMZYBTASS-YFHOEESVSA-N	267.781	4.314	50	20	CIGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1	806553174	IXTJGDAHHLPUDU-SDNWHVSQSA-N	297.427	4.321	50	20	CIGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)c1ccccn1	814188328	ZGHLFWKHXQJZAJ-KFGDLTOCSA-N	290.366	4.238	50	20	CIGD	
N#C/C(=C\c1cccc(F)c1)C(=O)c1cccc(Cl)c1	11297306	PISSBZUCKALBRG-NTUHNPAUSA-N	285.705	4.269	50	20	CIGD	
C[C@@H](CBr)Cc1ccc(Br)cc1	84192514	XGZAEHTZLVMVOX-MRVPVSSYSA-N	292.014	4.023	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)CC(C)(C)C)c1C	728286823	ISJKVHKHWVBTIR-DHDCSXOGSA-N	272.392	4.037	50	20	CIGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)C1CCCC1	733076461	MQQDIXCCOLGQHN-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)OC1CCCCC1	14178914	AGXMXURYEOLDMQ-SDNWHVSQSA-N	295.338	4.216	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(N3CCCCC3)o2)n1	72634771	GSRAWACLWZLASO-UKTHLTGXSA-N	299.399	4.099	50	20	CIGD	
Cc1ccc(NNC(=O)c2occc2-c2ccccc2)cc1	112467778	YAXJGBLUCSWJAO-UHFFFAOYSA-N	292.338	4.012	50	20	CIGD	
N#C/C=C/COc1cc(Cl)c(Cl)cc1Cl	763298911	QXSMAKAEURBANE-OWOJBTEDSA-N	262.523	4.105	50	20	CIGD	
C=CCC(C)(C)C(=O)NNc1cc(Cl)ccc1Cl	815853841	CURREWSJHBEUOZ-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
CC[C@H](C)c1nnc(CCCC[C@@H]2CCSS2)o1	1326495689	AIVFWYSRUDQYOV-WDEREUQCSA-N	286.466	4.450	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccn2C2CC2)cc1C	1345076475	IUXOOUAXZXWXNR-LFIBNONCSA-N	290.366	4.230	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)cs2)cc1	588600809	PUNKLNQVNUJYLE-WUXMJOGZSA-N	287.771	4.500	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	726429344	SVFRWAFPZYZJLC-WDGDVPDHSA-N	279.339	4.469	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)c(F)c3)[nH]c12	735619696	PIQYDHYHXVLNJL-GHXNOFRVSA-N	295.292	4.214	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc3cnccc3c2)n1	779796840	COGVNXOCUCLORO-VIZOYTHASA-N	277.352	4.064	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)ccc1F	794875681	XKOOZCYHPHDIST-LCYFTJDESA-N	259.324	4.046	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2ccncc2s1	849244395	AEJJMEBMJFWAPV-LFTLCWSBSA-N	284.384	4.209	50	20	CIGD	
C=C(C)CN(CC)C(=O)CCCC[C@@H]1CCSS1	42034569	ZEVZJTCPMDIGCT-CYBMUJFWSA-N	287.494	4.125	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2sccc2C)c1	49372068	KNWOWFGGTQRVAS-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cnn(C(C)C)c2)n1	176917812	YIKNTHXQGDWDSH-WLRTZDKTSA-N	286.404	4.108	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	255120460	SHKKGNHKUZTRGS-QQCYMQAYSA-N	281.277	4.016	50	20	CIGD	
CC(C)(C)[C@H](NC(=O)NNc1ccccc1)c1ccccc1	734267718	BASVBGZLBYDGGN-MRXNPFEDSA-N	297.402	4.100	50	20	CIGD	
CN(Cc1cc2ccccc2o1)/C(=C\C#N)c1ccccc1	750803013	VKCRGDXCBFPXBR-WQRHYEAKSA-N	288.350	4.429	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758061658	BKUFYXBRNGKIMK-JZJUMEQFSA-N	289.325	4.433	50	20	CIGD	
C[C@]1(NC(=O)CCCC[C@@H]2CCSS2)CC=CCC1	838315126	DKUFNSZUWRRMET-HIFRSBDPSA-N	299.505	4.316	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863185082	ULCIEKGGMINZDG-ONNFQVAWSA-N	287.306	4.289	50	20	CIGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1ccccc1	916248931	SILQNWZZSMEYRT-OAHLLOKOSA-N	272.392	4.175	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@]2(CC=CCC2)C1	1527716335	VIXOOVLLXVZTHT-DQPZFDDXSA-N	295.854	4.133	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)s1	731155324	DNUCOQHWIBRMRD-PKNBQFBNSA-N	279.368	4.251	50	20	CIGD	
CCCCc1oc2ccccc2c1C=NNC(=O)C1CCC1	731936161	JULDOSMYZAPGGW-UHFFFAOYSA-N	298.386	4.026	50	20	CIGD	
N#C/C(=C/c1cccnc1)C(=O)c1cc2ccccc2s1	788328749	QCWHQFITWSGKAB-ZSOIEALJSA-N	290.347	4.086	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cc2ccccc2o1	807975042	DOXSPXXOHPGPGG-LBPRGKRZSA-N	286.375	4.365	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c1	812243042	ZWKXWFWPSFIKAD-XNTDXEJSSA-N	293.326	4.006	50	20	CIGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C)cc1	6410819	OUAJGSUFLVKHIF-SFQUDFHCSA-N	290.366	4.103	50	20	CIGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1ccco1	16882406	QNUMAXJZRVRQJK-RVDMUPIBSA-N	273.291	4.223	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	32130121	GTQFBLCIYXRMKJ-NTEUORMPSA-N	284.384	4.223	50	20	CIGD	
Fc1ccccc1CO[C@H]1CCCC[C@H]1Br	68954052	OWJDMPYALSDQST-YPMHNXCESA-N	287.172	4.048	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	132428223	OHXPRRJWOCNEFR-DHZHZOJOSA-N	271.291	4.094	50	20	CIGD	
ClCC1(COCc2ccccc2)CCCCC1	230090257	QSFUUYVDJBUQEZ-UHFFFAOYSA-N	252.785	4.393	50	20	CIGD	
BrC[C@@]1(COCc2ccccc2)CC=CCC1	307151318	CVIDCCWGUHTEGW-OAHLLOKOSA-N	295.220	4.325	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1ccccc1F	746523707	WTMUTOMSCHZXRZ-FMIVXFBMSA-N	291.281	4.362	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(C)c2)cc1	764884510	FFWYQHBVOPORMD-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1C	767714573	RIPMKEURGMSAFC-WJDWOHSUSA-N	283.371	4.060	50	20	CIGD	
CC(C)(C)CCCC(=O)NNc1c(F)cccc1Cl	770191210	QOTWKVZKURNCJT-UHFFFAOYSA-N	286.778	4.139	50	20	CIGD	
C=C(CBr)CN[C@H](CC(C)C)c1ccccc1	791491038	VTBDDSRXDALFTI-OAHLLOKOSA-N	296.252	4.315	50	20	CIGD	
CC(C)c1ccc(NNC(=O)[C@H](C)c2ccsc2)cc1	837054807	WQYCCOCAXLLEIE-GFCCVEGCSA-N	288.416	4.118	50	20	CIGD	
C=CC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	1347914068	DUTUTLIZNOJKKK-GFCCVEGCSA-N	287.494	4.029	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	7208149	YVRJLBTTZDQCJV-SFQUDFHCSA-N	291.350	4.135	50	20	CIGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(C)cc1	749200630	PLYCPKMYRTUHRV-HNNXBMFYSA-N	274.408	4.045	50	20	CIGD	
C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC=C(C#N)CC1	779591212	YWWCZRJMDKNZLV-AWEZNQCLSA-N	268.404	4.201	50	20	CIGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780808352	FYGFXMCQJLHGNN-CHWSQXEVSA-N	276.424	4.109	50	20	CIGD	
CCc1ccc(CC)c(-c2csc(/C(C#N)=C(\C)N)n2)c1	806553155	IOVDESZXXHEIKE-RVDMUPIBSA-N	297.427	4.148	50	20	CIGD	
CC[C@H](C)C(=O)NN=Cc1sc2ccccc2c1Cl	915977391	STLOFTGWOZHGGI-VIFPVBQESA-N	294.807	4.051	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1ccccc1Cl	1115850085	CYAHNSRDWVCHOW-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)C(C)C	49391272	HYUPITBFARVIER-WMZJFQQLSA-N	298.169	4.134	50	20	CIGD	
FC(F)(F)Sc1ccc(CCBr)cc1	82955116	OVMCFKCMGKWBRY-UHFFFAOYSA-N	285.128	4.236	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc(Cl)cc2)sc1C	125402525	YCIXGNVFNJIQJK-GHXNOFRVSA-N	274.776	4.478	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)C)c(OC(F)F)cc1C	174060486	DMXOLDKOFQXLHW-NTUHNPAUSA-N	293.313	4.037	50	20	CIGD	
CCCCC[C@@H](C)CC(=O)NNc1c(F)cccc1F	743455415	LBXGTWKJNXIDBI-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761378387	ZDFKMGSYMPELGV-VURMDHGXSA-N	287.306	4.289	50	20	CIGD	
CC[C@@H](NCCSSC)c1ccc(F)cc1F	789698212	QQEBENASASOSCT-GFCCVEGCSA-N	277.405	4.017	50	20	CIGD	
CC(C(=O)NNc1c(C)cccc1C(C)C)=C1CCC1	833105002	AUAYIKZHLQOHNV-UHFFFAOYSA-N	272.392	4.062	50	20	CIGD	
C/C(C=NNC(=O)Nc1ccccc1C)=C\c1ccccc1	915971227	JWTAHKSUKDIPQL-OQCPVZIJSA-N	293.370	4.206	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1322123381	SOUVRTONAWHPJR-MHWRWJLKSA-N	267.372	4.088	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(CC)s1	741472957	DCXMCTLPJSXDJM-ZGSOTFDTSA-N	261.390	4.223	50	20	CIGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)CC(C)(C)C)s1	758417969	LBQSWHQDKOQFNM-IZZDOVSWSA-N	276.405	4.179	50	20	CIGD	
Cc1ccc(C)c(C(=O)NNc2ccc(C(C)C)cc2)c1	837058611	SHOKSGBXHFFKGB-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)c(C)o1	843266158	TTXOHYHBZNGFSD-MLPAPPSSSA-N	270.357	4.295	50	20	CIGD	
CC[C@H](C)O[C@H](CBr)c1ccccc1F	50480017	PSZQYUOYWIXDIM-JOYOIKCWSA-N	275.161	4.077	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1C	170869679	BBCYJUGWNPLFOD-MHWRWJLKSA-N	296.345	4.054	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1cccc(F)c1	194530622	KFYXYWTYLGBNNY-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
ClCc1c(-c2ccsc2)n[nH]c1C1CCC1	409439902	KPEHFZDZNDKBHY-UHFFFAOYSA-N	252.770	4.145	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1	726428345	KGEVFEKEALHPOI-RPOVUYBMSA-N	253.345	4.155	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)[C@H](C)CCC)c1	741469381	LABCWZOSAHXYSN-DSQDWWTGSA-N	285.387	4.388	50	20	CIGD	
CN(N=CC1CCC(C)(C)CC1)C(=O)OC(C)(C)C	764684607	YFIMNWJQWGLCIF-UHFFFAOYSA-N	268.401	4.056	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ncc(C(C)(C)C)s2)n1	797405854	JSTYUIFZROUKNY-YHYXMXQVSA-N	289.429	4.270	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1C	915990111	KAIBZOQQCPEJIK-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
O=C(NN=C1CCCC12CCCC2)c1ccccc1Cl	1324243026	HIASFWVSSUSYSN-UHFFFAOYSA-N	290.794	4.170	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	102714225	GZSADIQIBWSHMH-WZUFQYTHSA-N	281.277	4.016	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	108207209	DVXIMFLJHKLKJF-UVTDQMKNSA-N	296.757	4.194	50	20	CIGD	
C=CC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	110968377	QLOLKJNGNNEIJG-CQSZACIVSA-N	299.505	4.125	50	20	CIGD	
CC[C@H](C)CN(C)C(=O)CCCC[C@@H]1CCSS1	171866906	JORBJLBHOPHWRS-QWHCGFSZSA-N	289.510	4.205	50	20	CIGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1ccccc1	750818048	NRIDKXDMWIGKRJ-ATVHPVEESA-N	273.335	4.354	50	20	CIGD	
CC(C)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1	769923375	YXDSEEBGEAUOTD-UHFFFAOYSA-N	287.338	4.098	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1cccc(F)c1	772179478	QEFMFMQBRONOSS-ONNFQVAWSA-N	291.734	4.330	50	20	CIGD	
C=C[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	787682124	VUSKFURCWCOSQU-KGLIPLIRSA-N	299.505	4.268	50	20	CIGD	
CCCCCC[C@](C)(CC)C(=O)NNc1cccc(F)n1	804765046	GXZZABVSJKIVOD-INIZCTEOSA-N	295.402	4.051	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)c1nc(C2CC2)cs1	866008418	AXYBVOVYGYVYBD-NTEUORMPSA-N	296.395	4.483	50	20	CIGD	
Br[C@H]1CCCCCC[C@@H]1OC1CCCC1	158122621	KGVJMVYIQLWORP-STQMWFEESA-N	275.230	4.432	50	20	CIGD	
Br[C@@H]1CCC[C@H]1OCC1CCCCCC1	300922023	UMVMJDXQMLOMNO-CHWSQXEVSA-N	275.230	4.289	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc(C)c(C)s1	777917529	BIUWOEAYWYHANB-AWNIVKPZSA-N	272.348	4.272	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1ccc(Cl)cc1	814688152	MJWMGYUFWHJZDR-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(C)C)cc2)s1	868781440	RVNAXLPYVGWEOB-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
CC(C)CCO[C@@]1(CBr)CCC[C@H](C)C1	71125336	MSCKEERKBORHRI-STQMWFEESA-N	277.246	4.393	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2scnc2C)cc1	78692750	VULSTSUTBPLFNF-DHDCSXOGSA-N	296.395	4.194	50	20	CIGD	
CC(C)C[C@H](C)NC(=O)CCCC[C@H]1CCSS1	121148035	HDBGZCMRPSYLTO-STQMWFEESA-N	289.510	4.251	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	158785767	KMDKSRYTPCJHDI-IZZDOVSWSA-N	289.693	4.170	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C3CCC3)cc2)c1	189671607	ZOZJQBQLJMXVHD-UHFFFAOYSA-N	294.398	4.328	50	20	CIGD	
CCC1(C(=O)NNc2ccccc2Cl)CCCCC1	764264677	XAKPVXSOOAOSRX-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C\c2ccccc2)cc1	764918889	BUZSKPIXBFFWSJ-YSWHLYNJSA-N	273.335	4.341	50	20	CIGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)C(C)(C)CC)c1	794951535	FPNZHIPFHYKWCU-PTNGSMBKSA-N	283.371	4.164	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2sccc2C)cc1C	809147298	ZYWGPWKVXZCNFX-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
CC[C@H]1CCCC(=NNC(=O)c2ccccc2Cl)C1	1318641740	PGELRTQVZCRPKH-NSHDSACASA-N	278.783	4.026	50	20	CIGD	
Cc1ccccc1[C@@H](CBr)OCC(F)(F)F	50481836	XLOVWZFMGBHLLH-SNVBAGLBSA-N	297.114	4.010	50	20	CIGD	
CC(=O)c1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1	198040505	YXOHJCXVBCWMIF-UHFFFAOYSA-N	294.467	4.290	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	212694272	YAZQFIWIFCWELG-PTNGSMBKSA-N	295.313	4.014	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1cc(-c2ccccc2)on1	732923643	GHRXMRQHBVOZQO-UHFFFAOYSA-N	299.374	4.028	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)C1CCCCC1	780006356	ZRXIMBHNDVGQEB-WDZFZDKYSA-N	279.792	4.458	50	20	CIGD	
CC(C)c1nc(C(=O)/C=C\c2cccc(CCl)c2)co1	806557906	MAEXMTMPDFNXDV-SREVYHEPSA-N	289.762	4.433	50	20	CIGD	
CCCCCC(=C/c1ccccc1)/C=C(\C#N)C(=O)OC	810192042	CKQAETFUZXRYSZ-RFTYBOQRSA-N	283.371	4.273	50	20	CIGD	
Cc1scc(C(=O)NNc2ccc(C(C)C)cc2)c1C	837052734	KKFDZEUXNLFGRW-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
ClCc1c(-c2cccs2)n[nH]c1C1CCC1	409440205	LLSPBGKLQWEKFX-UHFFFAOYSA-N	252.770	4.145	50	20	CIGD	
CC1(C)CCC[C@@](OC(=O)Cl)(C(F)(F)F)C1	716356139	OYRMYYKEFICWCY-VIFPVBQESA-N	258.667	4.263	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1	741470006	OOVBUXIMNPONFJ-XTCQQWIJSA-N	297.354	4.354	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761178112	YZQQLYVEZPVXCK-YFHOEESVSA-N	273.719	4.218	50	20	CIGD	
CSc1cc(/C(C#N)=C/C(C)=C\c2ccccc2)ncn1	773170035	CGTPWVDROQNZSB-LHHRFCNSSA-N	293.395	4.209	50	20	CIGD	
CCCN(N=C[C@@H](C)CC(C)C)C(=O)OC(C)(C)C	794992608	FFHZFJUISGVWEV-ZDUSSCGKSA-N	270.417	4.302	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(C#N)cs2)s1	797398662	JMQMHMYBPWCUMD-WZUFQYTHSA-N	299.424	4.438	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812242780	VBSWRPBDWRQELU-KPKJPENVSA-N	299.717	4.016	50	20	CIGD	
FC1(F)CC(c2ccc(CBr)cc2)C1	1537963353	OLYODJIWFWIFQT-UHFFFAOYSA-N	261.109	4.094	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1C	726429246	HJALGWPMYGBLTI-RCEBRVLHSA-N	255.361	4.134	50	20	CIGD	
C[C@@H]1CCC(=NNC(=O)c2ccc(Cl)cc2F)C[C@H]1C	767384663	ICOIFGMAQMGYBF-NXEZZACHSA-N	296.773	4.021	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2coc(-c3ccccc3)n2)n1	797405468	XDLUSPAGDMLMGY-NTUHNPAUSA-N	293.351	4.171	50	20	CIGD	
O=C(c1cccc(CCl)c1)N1CC[C@H](c2ccccc2)C1	50599513	FIBMNIWGLDSTML-KRWDZBQOSA-N	299.801	4.055	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NC1CCCCC1	61469020	FXGFRZOHYYCSRX-ZDUSSCGKSA-N	287.494	4.149	50	20	CIGD	
CCCCCC[C@@H](C)CC(=O)NNc1ccc(OC)cc1	746883595	WRQWIVGICTZIDI-CQSZACIVSA-N	292.423	4.135	50	20	CIGD	
CCCN(N=Cc1sccc1C)C(=O)OC(C)(C)C	794992530	CMYFTQCWRIUKOY-UHFFFAOYSA-N	282.409	4.038	50	20	CIGD	
CCc1cccc(C)c1NC(=O)C1CCC(Cl)CC1	1123504999	MPRUHOQDSCMJIA-UHFFFAOYSA-N	279.811	4.294	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	8117728	BXVVQRQBXRWGIO-CZOLMKDHSA-N	281.311	4.094	50	20	CIGD	
CC(C)(CBr)Cc1ccc(Cl)cc1	85050258	FLVZFXKEULEXEN-UHFFFAOYSA-N	261.590	4.304	50	20	CIGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccs2)c1C	212039138	SZDWTANXYKZNJG-UVTDQMKNSA-N	296.395	4.142	50	20	CIGD	
CCCCC(=O)NN(c1ccccc1)c1ccccc1	301196977	LONRQUWHYDFUBW-UHFFFAOYSA-N	268.360	4.046	50	20	CIGD	
CCc1ccc(C(=O)NN=C2CCC(C(C)C)CC2)cc1	729636670	NEFDKESSOKSEAD-UHFFFAOYSA-N	286.419	4.181	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C(C)(C)Cc2ccccc2)c1	748359191	AYUGNESMYBKIFH-UHFFFAOYSA-N	296.414	4.015	50	20	CIGD	
Cc1ccc(CCCCC(=O)NNc2ccc(C)cc2)cc1	749194592	ZGHJDCHEFGQOIP-UHFFFAOYSA-N	296.414	4.160	50	20	CIGD	
CC[C@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc(Cl)cc1	786676672	AKZVWURJALJESG-GLNPCMGASA-N	289.762	4.194	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCC1CCN(CCCF)CC1	844346700	OWPSICJZDOQJDW-UHFFFAOYSA-N	289.511	4.080	50	20	CIGD	
CC(CC(C)(C)C#N)=NNC(=O)c1ccc(C(C)(C)C)cc1	853271542	KWCXNNKHAREJPU-UHFFFAOYSA-N	299.418	4.030	50	20	CIGD	
Cc1cc(C)c(-c2csc(NC=C(C#N)C#N)n2)cc1C	7066970	UEWFJITXEAQMJW-UHFFFAOYSA-N	294.383	4.078	50	20	CIGD	
CC[C@H](C)O[C@@H](CBr)c1cccc(C)c1	50480099	SFVXFAIIGWZSLS-AAEUAGOBSA-N	271.198	4.246	50	20	CIGD	
CCCCCO[C@@H](CBr)c1ccc(F)cc1	50481632	QTKYSDRRZYLSIB-ZDUSSCGKSA-N	289.188	4.469	50	20	CIGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)C(C)C	194858065	HYUPITBFARVIER-ONNFQVAWSA-N	298.169	4.134	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)o1	767714067	OFXJBMGOKIOUED-APCBGKFJSA-N	283.371	4.459	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811628499	ZABQGDLXPXWIRH-RUDMXATFSA-N	287.306	4.289	50	20	CIGD	
CCc1ccccc1C(=O)NNc1c(C)cccc1C(C)C	812768559	WASWJRJWBFGVDF-UHFFFAOYSA-N	296.414	4.438	50	20	CIGD	
Cc1cc(C)cc(-c2ccc(C=NNC(=O)C(C)C)cc2)c1	741455955	NPSFXVSXSZDQGL-UHFFFAOYSA-N	294.398	4.077	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2CCCC[C@@H]2C)c(C)c1	743763584	QPBBDFBMJGGIOQ-BBRMVZONSA-N	288.435	4.271	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/C(C)=C\c1ccccc1	798179401	VPZCNKOKRCFWDM-ODINJJDSSA-N	296.414	4.236	50	20	CIGD	
Cc1cc(OC(=O)OC2CCCC2)c(Cl)cc1[N+](=O)[O-]	831521621	GOYQHSZBAGWADV-UHFFFAOYSA-N	299.710	4.015	50	20	CIGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)c1ccncn1	1320148360	AIEWFYFQVHDRGK-GXDHUFHOSA-N	289.363	4.269	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)c2nnc([C@H](C)CC)o2)cc1	1327874022	LJIGEXXPOPAMKH-XTCQQWIJSA-N	297.358	4.046	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccsc2)c1C	67735347	ZCSJDQIZUUHLGG-ZSOIEALJSA-N	267.353	4.155	50	20	CIGD	
C[C@@H](CBr)Cc1cccc(Br)c1	84192528	ZHPHOZVKUMSFHL-MRVPVSSYSA-N	292.014	4.023	50	20	CIGD	
CCCC(=NNC(=O)OC(C)(C)C)C1CCCCC1	727779536	INVQNBIZGFHNMP-UHFFFAOYSA-N	268.401	4.248	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)OC2CCCCC2)c1	742575223	CPXGHZAJRGOLRQ-LFIBNONCSA-N	283.371	4.086	50	20	CIGD	
C[C@@H](C=NN(C)C(=O)OC(C)(C)C)CC1CCCCC1	758113265	ONDMGLCTQGHWNW-CYBMUJFWSA-N	282.428	4.446	50	20	CIGD	
CCCN(N=C(C)c1ccc(F)cc1)C(=O)OC(C)(C)C	794998465	NIHRDRFMCBEVGC-UHFFFAOYSA-N	294.370	4.197	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CCCCC12CCCC2	814764332	VXAOXKBYORCWML-UHFFFAOYSA-N	284.403	4.215	50	20	CIGD	
C/C(=C\C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccco1	831900237	RLVVSKIWWKJCOE-OUKQBFOZSA-N	298.386	4.124	50	20	CIGD	
Cc1sccc1/C=C(/C#N)C(=O)C1CCCCC1	834430350	LMCMDQIIPCZUKR-ZROIWOOFSA-N	259.374	4.113	50	20	CIGD	
N#CC(C#N)=Cc1ccc(SCc2ccccc2)cc1	151359179	WOEBJWXJCADVPS-UHFFFAOYSA-N	276.364	4.409	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1	207894471	YYTVHYLFXJOQMD-GDNBJRDFSA-N	286.334	4.266	50	20	CIGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccsc2)c1C	212041192	BUBBDEHRRSWEIT-DHDCSXOGSA-N	296.395	4.142	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1C	255366414	BBCYJUGWNPLFOD-YBEGLDIGSA-N	296.345	4.054	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C)c2C)s1	731159439	QYRXLCLKOKNKKK-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1ccc(F)cc1	735031417	DSNPXXSPOAIHOR-ZDUSSCGKSA-N	280.387	4.265	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761384298	GLVMFGLDYLKRMG-HWPCKVLBSA-N	287.306	4.289	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)cccc2C)cc1	764917105	LEIYYKFCWTXTBW-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)C1CCCC1	781555726	OQUWHFURSGMFJB-GHXNOFRVSA-N	277.726	4.145	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	866010894	JGWQWAAXWRVEMS-ZROIWOOFSA-N	296.395	4.483	50	20	CIGD	
O=C(CCC1CCCCC1)NNc1ccccc1Cl	912646220	KVSDGMXASNQBHI-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccn2C2CC2)n1	1325238680	GTGXVTBZSQKLPL-WQLSENKSSA-N	283.400	4.467	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	152165720	XYZLLCOBBDRKAV-IZZDOVSWSA-N	289.693	4.170	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cccc(Cl)c1	748244821	RQHCMNCSCXCPHZ-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
C=CCCC(CC)=NNC(=O)c1ccc(Cl)cc1Cl	750935174	NXEODWKCAULZHY-UHFFFAOYSA-N	299.201	4.455	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2)cc1	764890929	GXVCLYSZWVCYBD-DHDCSXOGSA-N	281.742	4.438	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(C(=O)O)c2)n1	774128647	BNSSUZRWBMAJNT-QPEQYQDCSA-N	298.367	4.029	50	20	CIGD	
CCCCCCCC(=O)NNc1cc(C)cc(C)c1	890732645	QLMJIJOMNIROAY-UHFFFAOYSA-N	262.397	4.107	50	20	CIGD	
CC(C)CC(=NNC(=O)OC(C)(C)C)c1cccs1	917531364	LTMJOXSYQVNFHR-UHFFFAOYSA-N	282.409	4.023	50	20	CIGD	
O=C(NN=CCC1CCCCC1)c1ccccc1Cl	1117702148	NRMHKLHHSFVZFY-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnc(C(C)C)s1	1332398755	DHPKHGUOQANJCX-JYRVWZFOSA-N	296.395	4.365	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(C)s1	170933600	IVKAWXWATKYJHL-GXDHUFHOSA-N	297.379	4.245	50	20	CIGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc2ccccc2c1	254707073	MCAAESPUEZXSHF-UHFFFAOYSA-N	284.359	4.089	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)ccc2C)s1	588394126	BIOGCZUOPDUFHT-QPEQYQDCSA-N	285.343	4.294	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1)C1CCCCCCC1	749273890	WNPFZONXUCZBMH-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CCC(=NNC(=O)CCc1ccccc1)C1CCCCC1	750937766	XIXAKQDZYVXOCZ-UHFFFAOYSA-N	286.419	4.082	50	20	CIGD	
CSc1cc(/C(C#N)=C\c2coc3ccccc23)ncn1	773176895	RBEVLMFLNCTJJY-WDZFZDKYSA-N	293.351	4.009	50	20	CIGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)C(C)(C)C	787168054	IAUAULBGSHWFRT-RXAUVDRZSA-N	298.342	4.063	50	20	CIGD	
CCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	878639788	VHCXPQNGIHJPCJ-JTQLQIEISA-N	297.729	4.254	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccsc1	48639672	FJRYTOMPYFECJE-GHXNOFRVSA-N	273.744	4.191	50	20	CIGD	
C[C@@H]1CCC[C@H](OC2(CBr)CCCC2)C1	50481540	UJZIASVLWDDLSY-NEPJUHHUSA-N	275.230	4.289	50	20	CIGD	
ClCC1(Cc2sccc2Br)CC1	85043331	BHBIFLGOHFJOQI-UHFFFAOYSA-N	265.603	4.072	50	20	CIGD	
Cc1cc(C)c(NNC(=O)CCCC(C)(C)C)c(C)c1	743764811	RLHHLNVWOYDPDI-UHFFFAOYSA-N	276.424	4.271	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1ccc2ccccc2n1	749159450	WWSCKYRLCNSLBK-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cc2ccccc2o1	749822971	FVKAPLVEYDMMTK-CYBMUJFWSA-N	296.370	4.119	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1cccc(F)c1	773169434	CQZJYGNHSGYDKB-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2ccoc2)c1	806556275	AOEJMJMUIVFHCV-ZSOIEALJSA-N	283.352	4.181	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1	1116140128	WLQNJWAMXUVSMY-BOPFTXTBSA-N	290.322	4.148	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1	5130387	GEFLASUSNOKHFU-NTEUORMPSA-N	296.757	4.194	50	20	CIGD	
CC(C)CCCO[C@@H]1CCCC[C@@H]1Br	50502958	NXVCKNSMCURLBB-NWDGAFQWSA-N	263.219	4.145	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccsc3)c[nH]c2c1	98125493	STELUXUVXRTAED-NTUHNPAUSA-N	292.363	4.328	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2ccccc2o1	101799929	VDZNAYUINXWOMZ-GXDHUFHOSA-N	267.328	4.345	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	128674178	FMFYWLLDNJDBQU-UXBLZVDNSA-N	265.715	4.001	50	20	CIGD	
Cc1coc2ccc(NC(=O)NNc3ccc(F)cc3)cc12	187991175	CSHQPHNBRWAHBM-UHFFFAOYSA-N	299.305	4.029	50	20	CIGD	
C[C@@H](CBr)CN[C@H]1CCCCC12CCCC2	309591052	UTSPRAWYIRHBCC-STQMWFEESA-N	288.273	4.110	50	20	CIGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1ccc2ccccc2c1	727778517	KTPWXEFZJIKIQW-CYBMUJFWSA-N	280.371	4.158	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774557166	BAYBZQRNXUMASO-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1cccc2ccccc12	814855101	FXVBNUWFBCBGNY-MRXNPFEDSA-N	292.382	4.136	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)c2nnc([C@H](C)CC)o2)cc1	1327874015	LJIGEXXPOPAMKH-HLVNSREUSA-N	297.358	4.046	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)c2cnc3ccccc3n2)c1	191355642	OREIWEBUNMEPTD-MHWRWJLKSA-N	285.350	4.311	50	20	CIGD	
CCC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425030	ISHOYMSMCBXKTG-UHFFFAOYSA-N	287.315	4.090	50	20	CIGD	
C=C(CBr)CN1CCC[C@H]1c1ccc(C)cc1	791442396	NBKUQIZSXRMPHP-HNNXBMFYSA-N	294.236	4.083	50	20	CIGD	
Cc1ncccc1NCc1ccc(OCCCCl)cc1	811484573	BWDRWYFPRCLYLJ-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc(C3CC3)c2)n1	817343022	IIAYEOFGPMHJBP-NVNXTCNLSA-N	266.369	4.393	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(SC)s1	840717225	OUSPTVYNYBOUEX-DHZHZOJOSA-N	279.430	4.382	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c(C)c1	7350288	GCGSHWIOQNISAJ-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(C)o3)c[nH]c2c1	63454695	GFZMVXVOYPLOGK-JYRVWZFOSA-N	290.322	4.168	50	20	CIGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)CC(C)(C)C)s1	123492247	LBQSWHQDKOQFNM-WDZFZDKYSA-N	276.405	4.179	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc2ccccc2o1	192539962	AOTVCKYSVOCLPU-LCYFTJDESA-N	277.279	4.124	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)[C@@H](c2ccccc2)C(C)C)c1	748362528	NIEHUEHZAWMDBF-GOSISDBHSA-N	296.414	4.186	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2sccc2C)c(C)o1	767886802	LVTRUIYWUXWASD-NTUHNPAUSA-N	271.341	4.056	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)OC1CCCCC1	780005007	QQYMUYAYRYPVFN-NTMALXAHSA-N	295.791	4.184	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CCC2	807951932	CTYFXARBTVYFGB-NSHDSACASA-N	292.448	4.169	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	6410488	JKJWKYZRNWLKOU-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccsc2)c1C	7208726	BUBBDEHRRSWEIT-OQLLNIDSSA-N	296.395	4.142	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	157204060	SBSMCTCMROMHAB-ONNFQVAWSA-N	299.267	4.367	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(F)c2F)s1	170964009	TWFQWOHWAPISQW-YRNVUSSQSA-N	289.306	4.125	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	588409978	SZLCGRRFDDLVIL-RAXLEYEMSA-N	281.311	4.204	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	733206440	KAERXWFBIWJAIJ-CAXXOGMASA-N	299.267	4.367	50	20	CIGD	
CC[C@H](C)CCCCC(=O)NNc1cccc(C)c1	753410910	LWILJPIJJBALCJ-ZDUSSCGKSA-N	262.397	4.045	50	20	CIGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1cccc2cnccc12	755573718	QNVLDWIXFFCPMY-CYBMUJFWSA-N	299.418	4.140	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)c1nc2ccccc2[nH]1	178981398	JUIJMNJFINKESW-FMIVXFBMSA-N	285.306	4.373	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC1CC1	267159376	QJCZGBMVYQYTMY-UHFFFAOYSA-N	288.416	4.123	50	20	CIGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)c1ccco1	8200434	OVALXNQPQKGGTB-VQHVLOKHSA-N	292.121	4.376	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CCC1	175622055	YRVSBOMUMZOZTF-UHFFFAOYSA-N	288.416	4.123	50	20	CIGD	
CCCCCCCC[C@@H](C)CC(=O)N1CC=C(C#N)CC1	780685556	PUQKZYTTWGHDKZ-MRXNPFEDSA-N	290.451	4.445	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)OC1CCCCC1	790099726	MHZBMCGJFRLYQD-FLIBITNWSA-N	295.791	4.184	50	20	CIGD	
C=C(C)CN(CC(=C)CBr)Cc1ccccc1	791567276	ISYAVKUJZZTDOS-UHFFFAOYSA-N	294.236	4.016	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccsc1C	832322274	BMTCDZXRWLZQCV-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)c1ccccc1Cl	1116461779	WYILDXUJSVMXJO-TZMCWYRMSA-N	290.794	4.048	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/C=C\c2ccccc2)c1	33328626	UUQUCMARPWBDCB-UPWDGHCPSA-N	288.350	4.097	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccsc3)c[nH]c2c1	63412976	STELUXUVXRTAED-QPEQYQDCSA-N	292.363	4.328	50	20	CIGD	
Br[C@H]1CCCCCC[C@H]1OC1CCCC1	158122329	KGVJMVYIQLWORP-QWHCGFSZSA-N	275.230	4.432	50	20	CIGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1	212647064	VJMSFTKXYCJPHO-GDNBJRDFSA-N	265.312	4.193	50	20	CIGD	
ClC[C@@H](COCc1ccccc1)C1CCCC1	230090920	KIZNLCDWDKNFKK-HNNXBMFYSA-N	252.785	4.248	50	20	CIGD	
CC(C)(C)[C@H](CCl)CCOCc1ccccc1	306650380	FKRQYRMFTSJBEE-AWEZNQCLSA-N	254.801	4.494	50	20	CIGD	
C[C@@H]1CN(/C(=C\C#N)c2ccccc2)[C@@H]1c1ccccc1	750800615	VTMFKSUWBYVIME-IBOAZWAKSA-N	274.367	4.244	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	755602680	YVGMDFFLQMCZPJ-QVIVLVACSA-N	279.742	4.391	50	20	CIGD	
CCCC[C@H](CC)C(=O)NNc1c(F)cccc1Cl	770196664	IVMXDZWUSRNBQQ-JTQLQIEISA-N	286.778	4.139	50	20	CIGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)C1CCCC1	781553120	KUUWGLLRLRCVBD-DHZHZOJOSA-N	277.726	4.145	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)C1CCCC1	781555256	DNYBPHUUGMHXOK-JYRVWZFOSA-N	259.736	4.006	50	20	CIGD	
C=CCCCOC(=O)CCCC[C@H]1CCSS1	139969592	WEIYCLPQPQLXAF-LBPRGKRZSA-N	274.451	4.210	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2C(C)(C)C)c1	158636541	DKFFXEBYUUTFGC-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C2CCCCCCC2)c1	748365663	ISZSRLZVWPUTSQ-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
Cc1ccccc1NC(=O)NNc1cccc2c1CCCC2	775404233	TXUQJIUTHWUSEE-UHFFFAOYSA-N	295.386	4.022	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)C1CCCC1	794691126	MGZAAMVKENDITG-XNTDXEJSSA-N	265.312	4.099	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2ccoc2)c1	806556274	AOEJMJMUIVFHCV-RIYZIHGNSA-N	283.352	4.181	50	20	CIGD	
CCCCCCOC(=O)/C(C#N)=C/c1ccc(C)cc1	915371242	QGZSTPSOIDCNDV-FOWTUZBSSA-N	271.360	4.026	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	921262225	QKXJULQCLLXATM-XNTDXEJSSA-N	273.339	4.244	50	20	CIGD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCC(Cl)CC1	1346250126	GTAMICVKDUCYJO-LMWSTFAQSA-N	297.801	4.143	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)C(C)(C)C	788734261	XRKAPGCWVQASNZ-FMIVXFBMSA-N	275.779	4.425	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccccc1Cl	794875216	RMMXDBJNCZODPI-FMIVXFBMSA-N	261.752	4.252	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	794955126	UYFRSWUYMYIRGW-WJDWOHSUSA-N	292.382	4.456	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CC[C@@H](c2ccccc2)C1	814764576	BXNZPIPTSQQBTO-MRXNPFEDSA-N	292.382	4.049	50	20	CIGD	
CC(C)Cc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1	834447572	OQFLTKUSBSCERN-GDNBJRDFSA-N	273.351	4.109	50	20	CIGD	
CCCCCCCCC(=O)NNc1ccc(F)cc1	888425137	MDWPQCLULFBHCK-UHFFFAOYSA-N	266.360	4.019	50	20	CIGD	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1	8200534	YGEXJUZRYVTLHX-SDNWHVSQSA-N	279.339	4.367	50	20	CIGD	
N#CC(C#N)=CNc1ccc(Oc2ccccc2Cl)cc1	27194539	VHJNQYYKGYWIIY-UHFFFAOYSA-N	295.729	4.475	50	20	CIGD	
ClCc1cc(-c2ccc(CN3CCCCC3)cc2)no1	98178421	VNBQDPWZNWEEKD-UHFFFAOYSA-N	290.794	4.066	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2sccc2C(C)C)c1	158985583	PCAQVESKFCGBIM-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc2ccccc2o1	172692429	VGJWPEMKMSOZMG-XTCQQWIJSA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C/c1ccsc1)C(=O)c1c[nH]c2ccccc12	214445636	BUVQFAOFJOXDSE-GHXNOFRVSA-N	278.336	4.019	50	20	CIGD	
CCC(C=NN(C)C(=O)OC(C)(C)C)(CC)CC	495718918	GVCKAYVFZUHOAP-UHFFFAOYSA-N	256.390	4.056	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1F	731490164	SPNUDGIRNFPFRM-MDWZMJQESA-N	283.277	4.063	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc2cnccc2c1	780004184	HOSWPHCSXCQIBD-CXUHLZMHSA-N	278.355	4.147	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(C2CC2)c1	817345677	HWANLFKJQZEEIN-MHWRWJLKSA-N	253.345	4.086	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccco2)cc1	7211478	SAOWHAFBZQFDQP-SDNWHVSQSA-N	279.339	4.367	50	20	CIGD	
N#C/C(=C\c1ccnc2ccccc12)c1nc2ccccc2[nH]1	33585294	RTJVCAFGOVPANU-SDNWHVSQSA-N	296.333	4.175	50	20	CIGD	
Br[C@@H]1CCC[C@H]1OC1CCCCCC1	50503069	NFYJSDUYEIDMHO-VXGBXAGGSA-N	261.203	4.042	50	20	CIGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1Cl	66255913	VHQVYWJYCZCKLX-JYRVWZFOSA-N	289.762	4.037	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(C)cs2)c1	255328395	SZCCLQZXGZRXFP-VGOFMYFVSA-N	254.358	4.133	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	280109052	VMMPEXYRXLNVTP-DHZHZOJOSA-N	290.432	4.353	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@H](c2cccc(F)c2)C1	750796081	NTZFWGKRWOIVAE-DUPIZPNJSA-N	292.357	4.180	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cscc1Br	794689069	PWKODQPVNRXHCJ-XBXARRHUSA-N	298.205	4.033	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCSc1nccs1	821078229	MFJRYTYARFHDPF-UHFFFAOYSA-N	275.515	4.257	50	20	CIGD	
CO[C@@H](C)c1cccc(NC(=O)C2CCC(Cl)CC2)c1	1347567950	KXOSXOJEPAMAJB-DCBWTQNWSA-N	295.810	4.130	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1F	103717116	DTGUBSOQIVUATK-LCYFTJDESA-N	277.302	4.075	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)s1	105570816	WDYBFKODGCOQIG-RIYZIHGNSA-N	297.379	4.169	50	20	CIGD	
C[C@H](O[C@H]1CCCC[C@H]1Br)c1ccccc1	251578613	VTAVNVJNHNTIGG-YUTCNCBUSA-N	283.209	4.470	50	20	CIGD	
CC(C)(CCl)Cc1ccsc1Br	307039638	IRSHTLMWMLUHPA-UHFFFAOYSA-N	267.619	4.318	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2ccccn2)c1OC(F)F	588393576	DJTMQQOBRXTCLR-LCYFTJDESA-N	286.281	4.056	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1F	729151191	STQQVXGZFCCURL-LCYFTJDESA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccccc2F)c1	734980942	KRVGQWNXONTCMQ-UKTHLTGXSA-N	283.277	4.063	50	20	CIGD	
O=C(CC1CCCC1)NN=Cc1cc(Cl)ccc1Cl	753697912	QVOHJVDSDQNNJC-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1ccccc1F	790100956	UUJCNGPTDCCRLV-YFHOEESVSA-N	291.734	4.330	50	20	CIGD	
CCn1cccc1/C=C(\C#N)c1nc(C(C)C)cs1	840736252	WPYYLNUNRKPQSY-XYOKQWHBSA-N	271.389	4.152	50	20	CIGD	
COC(=O)N(C)N=C1CCCC[C@H]1c1ccccc1Cl	853343814	UAVRJTOZRYZTHG-LBPRGKRZSA-N	294.782	4.052	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863184998	SFRHDYHEDWFGIO-VSBFRKNKSA-N	287.306	4.289	50	20	CIGD	
CN(N=Cc1csc2ccccc12)C(=O)OC(C)(C)C	920381348	PBJGQGMVFNUBHY-UHFFFAOYSA-N	290.388	4.102	50	20	CIGD	
CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2)CC1	5916532	JCDQDGVNXBXDLN-UHFFFAOYSA-N	286.419	4.399	50	20	CIGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1ccccn1	132416972	QATZKPKGOLGPSM-XFXZXTDPSA-N	264.259	4.031	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	726118714	PLOGAYHUMIOFRY-WJDWOHSUSA-N	285.387	4.386	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	772171757	MCAHWXAEFLTEIA-MHWRWJLKSA-N	279.314	4.178	50	20	CIGD	
CCC/C(C)=C/C(=O)NNc1ccc(C(C)(C)C)cc1	780806569	ZHSXQVZSQGLXIH-OUKQBFOZSA-N	274.408	4.174	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C)cc1C	794872946	AQABWYMTCGPDCI-GDNBJRDFSA-N	255.361	4.216	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1	809145626	BRGXYMNUYCVVTF-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
Cc1cc(C)c(-c2csc(NC=C(C#N)C#N)n2)c(C)c1	7067134	HQBJOQDIPSTOTQ-UHFFFAOYSA-N	294.383	4.078	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)CC	175635572	DXLXLKCPAYJEMZ-NSHDSACASA-N	290.432	4.369	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C#N)s2)n1	176409666	VFSDKHVEEVLRJX-BJMVGYQFSA-N	285.397	4.264	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)c1ccco1	212645097	PUDSPYANYVPUNK-FLIBITNWSA-N	291.228	4.088	50	20	CIGD	
C=C[C@@](C)(CBr)CCOCc1ccccc1	307062613	MSEMSZBUWFCYCH-CQSZACIVSA-N	283.209	4.181	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2cccc(OC)c2o1	726119348	YCDOOIWTRSRHMA-GXDHUFHOSA-N	297.354	4.354	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	726427996	CIPJZHHKDHTVPU-BVTUPMQUSA-N	255.361	4.332	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)o1	760210913	KAVQQYMLNRGVAL-GXDHUFHOSA-N	294.354	4.005	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)c1nc2ccccc2[nH]1	794688706	MMERBYCKXJECTK-UVTDQMKNSA-N	285.306	4.373	50	20	CIGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1ccoc1	806557491	UKMJPUCTDPTUPL-XNTDXEJSSA-N	289.290	4.329	50	20	CIGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)c1ccoc1	806558035	PWBXLISAKQVJST-VZUCSPMQSA-N	292.121	4.376	50	20	CIGD	
Cc1ccncc1NCc1ccc(OCCCCl)cc1	811484740	IKFKKEXYQNXGTF-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
Cc1ccc(C(=O)NN=Cc2ccc(C3CCCC3)cc2)o1	812226433	MMPGSNADSAJAIY-UHFFFAOYSA-N	296.370	4.010	50	20	CIGD	
CCC1(C(=O)NNc2cccc(Cl)c2Cl)CCC1	838345432	ALCAEDGGYMCJSS-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
C[C@H](CC(=O)NNc1cccc(Cl)c1)CC(C)(C)C	917006143	OJHQMOWYIRKOLP-LLVKDONJSA-N	282.815	4.246	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	1317696653	IEZLLGQMKCXGOL-ATVHPVEESA-N	275.351	4.347	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	49391253	CFYJKEURLAXPFN-WDZFZDKYSA-N	289.693	4.170	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1coc2ccccc12	746519914	IAHCPISNWUFAMB-SDNWHVSQSA-N	296.370	4.036	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1F	774558050	IMWLHWWLDPUJSO-NVNXTCNLSA-N	296.301	4.415	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1	16411114	YMRPJHAPWNRODN-LFIBNONCSA-N	290.366	4.158	50	20	CIGD	
CCC[C@@H](NC=C(C#N)C#N)c1cccc(C(F)(F)F)c1	102631359	CGNBCGOFWDWXBB-CQSZACIVSA-N	293.292	4.067	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccsc2)n1	176916880	IVMIHUFZNKRUFY-WZUFQYTHSA-N	260.387	4.392	50	20	CIGD	
C=C[C@@](C)(CCl)CCCOCc1ccccc1	306285591	CTIZLMAFLSPUCL-OAHLLOKOSA-N	252.785	4.415	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(C)c1C	741475263	WVCZHVYETKGRGK-YDRQLGOLSA-N	255.361	4.216	50	20	CIGD	
O=C(C=C1CCCCC1)NNc1ccc(C(F)(F)F)cc1	747590848	PRSFBPQUVBPPSP-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccccc2C2CC2)n1	750818642	YQTKVWHSPIVQSE-RIYZIHGNSA-N	266.369	4.393	50	20	CIGD	
CC(C)(C)c1nnc(CCCC[C@H]2CCSS2)o1	1331873639	GNGIEHDPRPSUPH-JTQLQIEISA-N	286.466	4.234	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	8202582	PFPPZCGXKYTSQS-LFIBNONCSA-N	279.314	4.178	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccco1	16882414	OVLPWPLIPHXVOA-UXBLZVDNSA-N	292.121	4.376	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)c1ccccn1	151359513	GYDGFSBBZQHOTI-XFFZJAGNSA-N	292.235	4.304	50	20	CIGD	
CC(/C=C(/C#N)C(=O)c1ccoc1C)=C\c1ccccc1	213022726	YRLAKNOPTUASMW-VKDWSQHSSA-N	277.323	4.324	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)n1	255193789	JAQFZSXODNZGLM-KPKJPENVSA-N	299.355	4.239	50	20	CIGD	
CC(C)Cc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1	755031864	JRTSBTVIKNKISA-YBEGLDIGSA-N	255.361	4.017	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCC)c(F)c1	782343309	VCVNLLBBAMZUNV-ZMTLZGASSA-N	289.350	4.137	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC(CC(F)(F)F)CC1	792934630	ZQKNKKZXFDBDSY-GIDUJCDVSA-N	294.320	4.215	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(C)cccc1C	794954611	QVMSYYXWOGZRAB-GXDHUFHOSA-N	255.361	4.216	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	8202566	YAZQFIWIFCWELG-RVDMUPIBSA-N	295.313	4.014	50	20	CIGD	
N#C/C(=C/c1cccs1)C(=O)c1cc2ccccc2o1	48417551	VJSIKDOOJYEGOE-WQLSENKSSA-N	279.320	4.284	50	20	CIGD	
BrCc1cc(Br)c2ccccc2c1	91302016	WSWDIPZSARBSLQ-UHFFFAOYSA-N	299.993	4.497	50	20	CIGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)C1CCCCC1	130193128	INWOHLLPYRBNSF-GZTJUZNOSA-N	293.366	4.062	50	20	CIGD	
Br[C@@H]1CCCCCC[C@@H]1OC1CCC1	158377125	DGAPYEUKWLUPQW-NEPJUHHUSA-N	261.203	4.042	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	171157453	OPFSIZZYILHOCN-UKTHLTGXSA-N	296.395	4.332	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1cccc(F)c1	588597602	PZXXFLJUMQOJJH-JYRVWZFOSA-N	291.281	4.362	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2ccccc2F)o1	733781231	GQFANAKAMDFSAL-CUCRISDRSA-N	295.313	4.332	50	20	CIGD	
C=CCCC(CC)=NNC(=O)c1cccc2ccccc12	741465938	ZIAJHIDTALVMCV-UHFFFAOYSA-N	280.371	4.302	50	20	CIGD	
Cc1ccc(NC(=O)NN=C[C@@H]2CC=CCC2)c(Cl)c1	741765424	APHXINRTAIPOBZ-GFCCVEGCSA-N	291.782	4.112	50	20	CIGD	
C/C(=C\c1ccccc1)CN(C)C[C@H](C)CBr	755192370	ATZWOZIFWJOUIV-KADHNRKRSA-N	296.252	4.053	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(C3CC3)cc2)n1	840715458	PXXAMCNYBNVRHF-OVCLIPMQSA-N	266.369	4.393	50	20	CIGD	
CC(C)[C@@H](C)N(C)C(=O)CCCC[C@@H]1CCSS1	915079927	IZFGVRLMIYWPOC-CHWSQXEVSA-N	289.510	4.203	50	20	CIGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)c1ccccc1C	1337029080	QQINBQHWPMDOKS-LFIBNONCSA-N	291.350	4.102	50	20	CIGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)c1ccccn1	178722475	GLVIGQNJBUIIFV-VZUCSPMQSA-N	292.235	4.304	50	20	CIGD	
CCCN(N=C(C)[C@H](C)CC)C(=O)OC(C)(C)C	496277804	UGCUREMKLOSARA-LLVKDONJSA-N	256.390	4.056	50	20	CIGD	
Cc1ccccc1[C@@H](NC(=O)NNc1ccccc1)C(C)C	734277226	PZVFYZUQLUJZSM-KRWDZBQOSA-N	297.402	4.018	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735618709	FBGPIERAQUVMOM-ZROIWOOFSA-N	291.329	4.383	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)cc1Cl	741469769	MTJJBWRHMFPJBA-LFTLCWSBSA-N	291.778	4.261	50	20	CIGD	
C[C@H]1CC/C(=C/C(=O)NNc2ccc(C(C)(C)C)cc2)C1	780806409	PLUMNBGRTFTWMK-BSHRGCEOSA-N	286.419	4.174	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCCC2	792884075	OFAOFZRFGNKHIY-HNEYUBDGSA-N	267.372	4.088	50	20	CIGD	
C/C(=C\c1ccco1)C(=O)NNc1c(C)cccc1C(C)C	848108885	XADPNAQLBFYLIA-SDNWHVSQSA-N	298.386	4.258	50	20	CIGD	
CC[C@H](C)C(C)=NNC(=O)c1ccc(C(C)(C)C)cc1	916323747	OBPNZAYIEISCBR-LBPRGKRZSA-N	274.408	4.136	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(O)cc2)n1	83015449	JYFFUEPRRKMPPH-GHXNOFRVSA-N	270.357	4.036	50	20	CIGD	
C[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)C1CCCC1	780806061	STUPSSCRWAILTR-ZDUSSCGKSA-N	288.435	4.254	50	20	CIGD	
Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1	812766216	BUBZYRZOCKDGOS-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
C[C@@H](Cl)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1	35055812	OFGSHSFLLNKCTF-MRVPVSSYSA-N	296.823	4.332	50	20	CIGD	
CN(CC(C)(C)C)C(=O)CCCC[C@H]1CCSS1	726950039	GWLUEGCDPUULCV-LBPRGKRZSA-N	289.510	4.205	50	20	CIGD	
N#CC(C#N)=CNc1cccc(Sc2ccccc2)c1	730995223	BZWMLTOMWWWFTC-UHFFFAOYSA-N	277.352	4.181	50	20	CIGD	
Cc1ccc(F)c(CN(C)/C(=C\C#N)c2ccccc2)c1	769909203	OKCWJMCVRIKCTF-ZDLGFXPLSA-N	280.346	4.131	50	20	CIGD	
CCC[C@@H](C(=O)NNc1nc2ccccc2cc1C)C(C)C	777477814	XFALGFWBFOBDJW-OAHLLOKOSA-N	299.418	4.059	50	20	CIGD	
N#CC1=CCN(Cc2ccccc2Oc2ccccc2)CC1	779589966	JWZPDDBVRGASKO-UHFFFAOYSA-N	290.366	4.135	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	790099111	DGFALFQZXMYJID-YBEGLDIGSA-N	297.398	4.388	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1nccc2ccccc12	794873736	GRAWDWKWMDJVAB-KAMYIIQDSA-N	278.355	4.147	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	794875202	QXXAEEBSNZCUOO-XNTDXEJSSA-N	297.398	4.312	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cn1	797399867	XJSNIMPYHRYIDQ-QPEQYQDCSA-N	283.400	4.208	50	20	CIGD	
Cc1cncc(C(=O)/C=C/c2cccc(CCl)c2)c1	799893748	WOJMBTAVHLMOBF-AATRIKPKSA-N	271.747	4.025	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(Cl)cncc1Cl	865220102	CYNWPFQHANHXRQ-QFQXNISHSA-N	297.185	4.301	50	20	CIGD	
Cc1cc2c(Cl)c(C#N)cnc2cc1OCCCCl	95937916	CPCWOJDSRSYVOV-UHFFFAOYSA-N	295.169	4.076	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OC(F)F	172692527	VDYNHQOMQSDIGE-VSXLWIIGSA-N	293.313	4.200	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	193161826	LWXBHIQGDYELDS-NTEUORMPSA-N	297.354	4.337	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccco2)cc1	212144051	SAOWHAFBZQFDQP-KAMYIIQDSA-N	279.339	4.367	50	20	CIGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)c1ccsc1	255146365	VQWYUCVMTDXWNW-WZUFQYTHSA-N	291.734	4.330	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)CC(C)(C)C)c1C	731158725	HCNPBMIJZRIPRS-DHDCSXOGSA-N	255.361	4.216	50	20	CIGD	
C=CCCC(CC)=NNC(=O)[C@H](CC)c1ccccc1	731933110	UYBQWZKRZHRPTJ-MRXNPFEDSA-N	272.392	4.029	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)c1cnc2ccccc2n1	790227077	CXXMPLVYSPFVED-BJMVGYQFSA-N	297.770	4.409	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C)c(C)c1	794954730	SHFDETZHVSRJHK-GDNBJRDFSA-N	255.361	4.216	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1	125486169	VNQZZSACCCUQGO-JYVXZMADSA-N	291.778	4.261	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cs1	195338616	YGSVDOTZHIAYGX-JRZFIGEHSA-N	267.781	4.314	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(OC(F)F)c1	255283258	QKQUIFULJFTAQA-LFTLCWSBSA-N	293.313	4.200	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1[C@H]2C=CC[C@H]1CC2	372818860	FSGYUUFBKYEYLM-IHRRRGAJSA-N	297.489	4.020	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1cc2c(s1)CCC2	917572204	RYNUQHOACIPBHM-UHFFFAOYSA-N	292.448	4.313	50	20	CIGD	
O=CC1=C(Sc2ccc(Cl)cc2)CCCC1	4205344	VYJIPGQTUCMMET-UHFFFAOYSA-N	252.766	4.459	50	20	CIGD	
CC[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	28269863	CTWNDNUZNAOOEO-ZCFIWIBFSA-N	295.597	4.136	50	20	CIGD	
CCCCCNC(=O)CCCC[C@@H]1CCSS1	72776558	QWNURSNUEKQOMB-GFCCVEGCSA-N	275.483	4.007	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	726119083	TWXITRLSSPIMPF-RVDMUPIBSA-N	279.339	4.469	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	726429346	SVFRWAFPZYZJLC-WZMONFQBSA-N	279.339	4.469	50	20	CIGD	
Cc1cccc(NNC(=O)[C@H](CC(C)C)c2ccccc2)c1	740922236	CIBQZPHWNVTXTI-GOSISDBHSA-N	296.414	4.268	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@H](c2ccccc2)C(C)C)cc1	749203648	WVADUEOBLCMXQI-SFHVURJKSA-N	296.414	4.268	50	20	CIGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)CC(C)C	767351470	BTFIFYHZZVPAAF-FOWTUZBSSA-N	285.387	4.388	50	20	CIGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)C1CCCCC1	782346640	BPMRQLDCXBOGMD-JYRVWZFOSA-N	286.400	4.077	50	20	CIGD	
Cc1ccccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791732124	CQGDEVXLYLDJMH-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1ccoc1C(=O)/C=C\c1cccc(CCl)c1	799892390	OXZSDJVQBUVFNE-WAYWQWQTSA-N	260.720	4.223	50	20	CIGD	
Cc1cc(C)cc(Oc2ccc(NC=C(C#N)C#N)cc2)c1	917606555	WONXNEMHGZTOKH-UHFFFAOYSA-N	289.338	4.439	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc2ncccc12	1330056674	TUUDGRAHEZOOSM-GXDHUFHOSA-N	278.355	4.147	50	20	CIGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)c1ccccn1	125780365	FUEKKHAHYNEQHH-QINSGFPZSA-N	272.307	4.406	50	20	CIGD	
COc1ccccc1/C=C(\C#N)C(=O)c1cccc(C)c1C	171390025	YYBUGENJHNWUPW-LFIBNONCSA-N	291.350	4.102	50	20	CIGD	
Br[C@H]1CCC[C@@H]1OCC1CCCCCC1	300922026	UMVMJDXQMLOMNO-STQMWFEESA-N	275.230	4.289	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1C	915980927	CWYMMGZYGNIHMT-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2cccc(Cl)c2)CC1	735970697	LUKFFSYGKZTKKX-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	741473565	JFAMIHLFSLUELE-HNDQUVLASA-N	285.387	4.386	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)cs1	794874699	NKUPKZKMLPYMDP-WEVVVXLNSA-N	267.781	4.314	50	20	CIGD	
COc1ccc(C(=O)/C=C/c2cccc(CCl)c2)cc1	799889987	XYOQEXABUXCVJK-BJMVGYQFSA-N	286.758	4.330	50	20	CIGD	
CCc1occc1C(=O)NNc1c(C)cccc1C(C)C	812765613	OYOQDRKBZAJYAF-UHFFFAOYSA-N	286.375	4.031	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	834446580	BHHDTDWIWSIWHG-JLHYYAGUSA-N	273.351	4.208	50	20	CIGD	
CC1(C(=O)NNc2ccccc2Oc2ccccc2)CCC1	846463657	PCZQHKRRYAOBCZ-UHFFFAOYSA-N	296.370	4.112	50	20	CIGD	
Cc1ccsc1C(=O)NNc1ccc(C(C)(C)C)cc1	181118543	ZWUYXWMKCOKHKS-UHFFFAOYSA-N	288.416	4.111	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)c1ccccn1	588386581	JUBLPJYGZMHAQY-LCYFTJDESA-N	268.747	4.416	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(C)c2C)c1	731155727	RADYJEWDMIVKKM-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CCCCCCCC(=O)NNc1c(C)cc(C)cc1C	743763544	OVZOKDGXHQXHOM-UHFFFAOYSA-N	276.424	4.415	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774558094	JDISVWULZGRTEG-DHDCSXOGSA-N	296.301	4.415	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)s1	790228715	YKFVOTYRUGBFQJ-FMIVXFBMSA-N	291.379	4.318	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1ccccc1	799888099	AHAJUOOQEFVLCY-MHWRWJLKSA-N	281.742	4.215	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)cc(F)c2)cc1C	809146484	PODZWTJPDUQBLX-UUASQNMZSA-N	297.304	4.372	50	20	CIGD	
N#CCCn1cc(/C=C(/C#N)c2ccccn2)c2ccccc21	96662838	BSLGKRRIYFTQTO-QINSGFPZSA-N	298.349	4.014	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1	116609181	UTIWQMURRIWXHD-ZROIWOOFSA-N	283.277	4.063	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)o1	177635269	VYXDSLAJKIQMKJ-GXDHUFHOSA-N	294.354	4.005	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1F	194529561	ONAMOLKUUWXOTA-VGOFMYFVSA-N	283.277	4.063	50	20	CIGD	
O=C(NNc1ccccc1)c1ccc(C2CCCC2)cc1	289969165	XBZXGOJDOHWLKU-UHFFFAOYSA-N	280.371	4.101	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(F)cc2)c1C	727655272	RYMQMNKMABDLJF-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1ccc2ccccc2n1	748247237	RZBDIIZNVVFIMF-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	756744374	HPZYFRXQVBOJOG-ARFHVFGLSA-N	286.419	4.045	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C#N)cc2F)n1	772798261	UEOUCSOADLAFQA-MLPAPPSSSA-N	297.358	4.341	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cscc1Br	794689781	CJUDHSJYFKDZEQ-WTKPLQERSA-N	298.205	4.033	50	20	CIGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1ccsc1	915989310	CXNBXLHVSVAASF-OQLLNIDSSA-N	290.347	4.086	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)c1nc2ccccc2n1C	5072098	TZMFCIQBIIOMGB-FMIVXFBMSA-N	279.368	4.007	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(C)c(C)s2)c1	125390969	ZKQWRKOREOHKRA-NVNXTCNLSA-N	268.385	4.441	50	20	CIGD	
FC(F)(F)c1ccc2cc(CBr)cnc2c1	585681250	DNUAXPWKYBSJTA-UHFFFAOYSA-N	290.082	4.149	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)C2CCCCC2)c1	767712131	BZHCJDHTUJXTJU-LFIBNONCSA-N	253.345	4.051	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	782201121	POUCGXNCIZSXRF-CEXMDJMXSA-N	279.742	4.391	50	20	CIGD	
COc1cccc2cc(/C=C(\C#N)C(=O)CC(C)(C)C)oc12	918712914	CWPJPIDNZXDQCE-UKTHLTGXSA-N	297.354	4.354	50	20	CIGD	
C[C@@H]1CCCCC1=NNC(=O)c1cccc2ccccc12	5528538	JQAGMTSIBCNNQP-CYBMUJFWSA-N	280.371	4.136	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)o1	588597384	ITPKXGNMQLKUAZ-FVIVFAEASA-N	295.313	4.332	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@H]2CCC[C@H](C)C2)c(C)c1	743764465	JXQGRYWRUQIDRA-LRDDRELGSA-N	288.435	4.271	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758061667	BKUFYXBRNGKIMK-QKHNXQEBSA-N	289.325	4.433	50	20	CIGD	
CC[C@H](C)[C@H](C)C(=O)NNc1cc(Cl)ccc1Cl	780599338	BGKZTAPSOITHGO-IUCAKERBSA-N	289.206	4.119	50	20	CIGD	
O=C(NN=C1CCC2(CC1)CC2)c1cccc2ccccc12	792635322	AIJUDOKDRKTULM-UHFFFAOYSA-N	292.382	4.280	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(C)o2)cc1	7208165	WQHVLVHJJANXRE-LFIBNONCSA-N	279.339	4.330	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccccc2[N+](=O)[O-])n1	83015553	BCOOCKFMKVPNKZ-GHXNOFRVSA-N	299.355	4.239	50	20	CIGD	
CCC(=NNC(=O)OC(C)(C)C)c1ccc(Cl)s1	254516969	ITBFMWVEWGHXRE-UHFFFAOYSA-N	288.800	4.040	50	20	CIGD	
C[C@H]1CCC[C@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950280	OOPHENUKJOAQLG-GXTWGEPZSA-N	256.462	4.156	50	20	CIGD	
CCc1cccc2c(/C=C(\C#N)C(=O)[C@H](C)CC)c[nH]c12	726429308	HWGQCBTUTLJILW-ZMTLZGASSA-N	280.371	4.252	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1OC(C)C	741474865	SMFVBRWGLBNPQN-HNDQUVLASA-N	285.387	4.386	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@H](C)CC(C)C)c(C)c1	743761383	DWOZBJUOPUOWJP-GFCCVEGCSA-N	276.424	4.127	50	20	CIGD	
Cc1cc(C)c(NNC(=O)CCCc2ccccc2)c(C)c1	743763184	ZULZXQUDMRXJIV-UHFFFAOYSA-N	296.414	4.078	50	20	CIGD	
CCCC(=NNC(=O)CC)c1ccc(Cl)c(Cl)c1	746679403	QVWPPLQYVYBUCQ-UHFFFAOYSA-N	287.190	4.024	50	20	CIGD	
CSc1cc(/C(C#N)=C/c2cc(C)c(C)cc2C)ncn1	773176066	IVPVWIYQXGMBMB-VIZOYTHASA-N	295.411	4.188	50	20	CIGD	
CCN(Cc1ccc(OCCCCl)cc1)C1CCC1	811466071	MVGHENDNTWVNLE-UHFFFAOYSA-N	281.827	4.069	50	20	CIGD	
Cc1ccccc1NNC(=O)c1ccc(C(C)(C)C)cc1	192735724	IAFQGRLQEFXZEU-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
CC(C)(C)C(=O)NN=C1CCC[C@H]1c1ccc(Cl)cc1	741460105	MDNVOWOPALMGLA-ZDUSSCGKSA-N	292.810	4.126	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C)cc1C	741473615	JPNVPPLWEIRVSG-BVTUPMQUSA-N	255.361	4.216	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)C(C)(C)CC)cc1	794874198	JHDVLAHOSMDIPW-RVDMUPIBSA-N	255.361	4.161	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1ccn(C(C)C)c1C	816570069	GRZJVJWVBNONTQ-UHFFFAOYSA-N	299.418	4.005	50	20	CIGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)C1CCCC1	914835793	SUXQQWICLUCNHQ-AWEZNQCLSA-N	264.413	4.051	50	20	CIGD	
N#C/C(=C\c1cc(F)c(F)cc1F)c1nc2ccccc2[nH]1	178296409	JMLPYKWZVUYNMD-BJMVGYQFSA-N	299.255	4.044	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2occc2c1	794689927	DQXGZJDAVRFDTP-GDNBJRDFSA-N	267.328	4.345	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	794874916	PTFFWUQJTGGVBK-BJMVGYQFSA-N	281.277	4.016	50	20	CIGD	
CC(C)c1ccc(NNC(=O)C2CCC(F)(F)CC2)cc1	837052909	MYZHSSRPVCGDBS-UHFFFAOYSA-N	296.361	4.079	50	20	CIGD	
O=C(NNc1ccccc1Cl)c1ccc2ccccc2c1	120783061	VALBUBQPFKNYLI-UHFFFAOYSA-N	296.757	4.250	50	20	CIGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)c1ccco1	212646323	GWPRJBBICAAFCW-FLIBITNWSA-N	291.228	4.088	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc(O)c(Cl)c2)sc1C	741472718	CUUUJJRLMVOWMH-VZUCSPMQSA-N	290.775	4.183	50	20	CIGD	
Cc1ccc(NNC(=O)Nc2cccc3ccccc23)cc1	915879551	URAHBZVVUCQFAL-UHFFFAOYSA-N	291.354	4.297	50	20	CIGD	
O=C(N[C@@H](c1cccs1)C1CC1)C1CCC(Cl)CC1	1345559845	BLTZCXGNCJRKRI-ORHYLEIMSA-N	297.851	4.113	50	20	CIGD	
CCC[C@@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	120409267	JCBYLPPXCGEFPI-QGZVFWFLSA-N	282.387	4.022	50	20	CIGD	
Cc1cccc([C@H](C)OC(=O)/C(C#N)=C\c2ccccc2)c1	785361890	KJHXJMIVLZYEGB-BRYHAGSVSA-N	291.350	4.206	50	20	CIGD	
CCCC(=NNC(=O)c1cc(C)cs1)C1CCCC1	863156849	MRMWAYDGUASTCA-UHFFFAOYSA-N	278.421	4.133	50	20	CIGD	
O=C(NNc1ccccc1F)Nc1cccc2ccccc12	11007638	WNICZLVYNPDOEV-UHFFFAOYSA-N	295.317	4.128	50	20	CIGD	
Cc1cccnc1NC(=O)CCCC[C@H]1CCSS1	69190375	JZUZBPUDDIVPBA-LBPRGKRZSA-N	296.461	4.043	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)s1	128897047	QEPAARWVOCHRPC-LCYFTJDESA-N	259.374	4.113	50	20	CIGD	
Cc1cc(C(=O)NNc2ccccc2Cl)ccc1Cl	158360542	MINNTTKYDWZFRM-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
C=C(CBr)CN[C@H]1CCCCC12CCCC2	309586772	VZWNBEPLKZRRDG-ZDUSSCGKSA-N	286.257	4.030	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	588424767	KLVSVFXXNKCHPK-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)s1	588580793	QGWZBEPTXMJYHZ-WQLSENKSSA-N	277.352	4.064	50	20	CIGD	
Cc1ncsc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797406479	GQTMPAYCIQWVHF-YHYXMXQVSA-N	289.429	4.270	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccoc1	798229529	DWZLCMUSLGYXDG-XMHXKSDUSA-N	263.296	4.016	50	20	CIGD	
Cc1ccncc1[C@H](C)NCCO[Si](C)(C)C(C)(C)C	808746123	KKAHEVSUPCZGJI-AWEZNQCLSA-N	294.515	4.062	50	20	CIGD	
CC(C)c1ccc(NNC(=O)C[C@@H](C)c2ccco2)cc1	861926900	FJOFAGYZDCSEOZ-CYBMUJFWSA-N	286.375	4.040	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C#N)cc2)n1	83015458	JDKIUVYSFUSZHA-AUWJEWJLSA-N	279.368	4.202	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	108781297	HOQIVYNGRCTPAW-SFQUDFHCSA-N	291.350	4.184	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)C2CCCCC2)c1C	767715006	SCOPOYGTGOHOHG-BOPFTXTBSA-N	267.372	4.360	50	20	CIGD	
CCOc1ccc(NNC(=O)CCCCCC(C)C)cc1	817879910	SGNBTGDOKAZPFE-UHFFFAOYSA-N	292.423	4.135	50	20	CIGD	
CC[C@H](C)[C@H](C)NC(=O)CCCC[C@H]1CCSS1	249757500	DXXXURAFFKOWCK-AVGNSLFASA-N	289.510	4.251	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1[C@H]2C=CC[C@H]1CC2	372818870	FSGYUUFBKYEYLM-MELADBBJSA-N	297.489	4.020	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)s1	809145736	DUKIIYQJJXXAEY-NTEUORMPSA-N	297.379	4.163	50	20	CIGD	
ClCCCOc1ccc(CNCc2cccs2)cc1	811471469	CGZDOUGWGNCIQB-UHFFFAOYSA-N	295.835	4.046	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2cc1OC	834421338	QAIPOTZKVXXGSO-VGSSETLESA-N	293.366	4.371	50	20	CIGD	
C/C(=C/c1ccco1)C(=O)NNc1c(C)cccc1C(C)C	848108884	XADPNAQLBFYLIA-KAMYIIQDSA-N	298.386	4.258	50	20	CIGD	
Cc1ccccc1[C@H](NC(=O)CCl)[C@H]1CCC[C@@H](C)C1	1253967986	IYKTWCGVGPAWNJ-HACGYAERSA-N	293.838	4.217	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)ccc1F	735618574	CHZRVAZMODBQED-NTEUORMPSA-N	291.329	4.383	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@@H]1c1cccc(F)c1	750800686	GXYJNUUBDQRLON-ZTXRYZOMSA-N	278.330	4.137	50	20	CIGD	
CC[C@@H](C)CCCCC(=O)NNc1cccc2cnccc12	752634235	KNGLYZMJJBQEJH-CQSZACIVSA-N	299.418	4.284	50	20	CIGD	
CCCC(CC)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	776186498	YZFVIDQVHRXWJT-NSHDSACASA-N	292.448	4.169	50	20	CIGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)C1CCCC1	781554438	PGFSOBFMCSZRIF-GDNBJRDFSA-N	292.338	4.008	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCCC2	792884083	OFAOFZRFGNKHIY-VVBXCHJUSA-N	267.372	4.088	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)C1CCCCC1	794690281	HWUJSNQQENVHBG-LFIBNONCSA-N	279.339	4.489	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cccc(Cl)c1	915944983	OSOPZNACYBBMHZ-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
CC(C)CCOC1CCN(/C(=C/C#N)c2ccccc2)CC1	175412077	DYGBAKMMNLOPDB-UFWORHAWSA-N	298.430	4.078	50	20	CIGD	
CCCN(N=CCC(C)(C)C)C(=O)OC(C)(C)C	495612187	KTCVWDRTIQYYGG-UHFFFAOYSA-N	256.390	4.056	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1F	729149249	HFVYQKXJYXJHEU-UVTDQMKNSA-N	291.329	4.085	50	20	CIGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccccc1F	731923580	SXYRFWMFKUJYTI-UHFFFAOYSA-N	290.382	4.292	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	741473324	GVYLGBPGONAYIQ-CEXMDJMXSA-N	279.742	4.391	50	20	CIGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(Cl)c1	742516706	HRGADBKBLRBCBO-LBPRGKRZSA-N	282.815	4.390	50	20	CIGD	
CCCN(N=C1CCC[C@@H]1CC)C(=O)OC(C)(C)C	794997531	WGQZFGMTOXDKLM-LBPRGKRZSA-N	268.401	4.200	50	20	CIGD	
C[C@@H]1CC[C@@H](C)N1Cc1ccc(OCCCCl)cc1	811467318	KBECPFNMJPSFEN-ZIAGYGMSSA-N	281.827	4.067	50	20	CIGD	
CC[C@@H](C)C(C)=NNC(=O)c1ccc(C(C)(C)C)cc1	916323746	OBPNZAYIEISCBR-GFCCVEGCSA-N	274.408	4.136	50	20	CIGD	
CC(C)c1sc(NC=C(C#N)C#N)nc1-c1ccccc1	917601067	LUCAMYCYTTYWHA-UHFFFAOYSA-N	294.383	4.276	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	1325014263	GRDPYMOODNCPMY-SSZFMOIBSA-N	296.414	4.199	50	20	CIGD	
C/C=C(/C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	178795119	BJSCGBOPBNSUAP-WZUFQYTHSA-N	288.416	4.289	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1ccc(F)cc1	588600921	VFOFKMFTOMECAY-JXMROGBWSA-N	291.734	4.330	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(C)c1C	731158473	ASBUJWJDHVLFDZ-MHWRWJLKSA-N	255.361	4.216	50	20	CIGD	
CCCCCC[C@H](C)CC(=O)NNc1ccc(Cl)nc1	743819760	ZQTWVOVWONYPME-LBPRGKRZSA-N	297.830	4.175	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)Nc1ccccc1	767341048	OOFFXZYPEUOZLO-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccn2C2CC2)c1	1325575585	YBGWXELHMXKILP-WJDWOHSUSA-N	290.366	4.230	50	20	CIGD	
Cc1nc(/C(C#N)=C\C2=Cc3ccccc3OC2)sc1C	125410137	NEBFKEJSYBHZQU-NVNXTCNLSA-N	294.379	4.143	50	20	CIGD	
CC(C)Cc1ccc(/C=C(\C#N)c2ccccn2)cc1	176061138	HAKPOACNHVCICG-SFQUDFHCSA-N	262.356	4.344	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1F	588597424	ONAMOLKUUWXOTA-AUWJEWJLSA-N	283.277	4.063	50	20	CIGD	
Cc1ncsc1/C=C(\C#N)c1ccc2ccccc2n1	742433106	PDXRKANLZZXEQH-MDWZMJQESA-N	277.352	4.064	50	20	CIGD	
Cc1ccc(NNC(=O)Nc2cc(Cl)ccc2C)cc1	778220268	YHNCFNGKGDHDEO-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	783711319	XHMSPYVBHJRGDT-GPLLRDDGSA-N	292.382	4.456	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CC12CCCC2	812767587	LEOHYIFOCJUIFJ-OAHLLOKOSA-N	286.419	4.142	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1cccc(F)c1	1116813736	ZJQGHPAXOPVUMG-YVLHZVERSA-N	291.325	4.104	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@H]2CCCC[C@H]2C)cc1Cl	1318013818	WKQGRJGKBHFSLV-DGCLKSJQSA-N	294.826	4.308	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc(C)cs2)c1	8079432	LHHCSFGYUGUSIR-VGOFMYFVSA-N	254.358	4.133	50	20	CIGD	
Br[C@@H]1CCC[C@@H]1OC1CCCCCC1	50503071	NFYJSDUYEIDMHO-NEPJUHHUSA-N	261.203	4.042	50	20	CIGD	
CC(C)COc1ccc(/C=C(/C#N)c2ccccn2)cc1	106586508	YMDRMBCKDLSPJL-WJDWOHSUSA-N	278.355	4.181	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H](CC(C)C)c2ccccc2)cc1	749200995	UFKGRVYUXWFOGB-SFHVURJKSA-N	296.414	4.268	50	20	CIGD	
CC(C)(C)CCC(=O)NNc1cc(Cl)ccc1Cl	752813460	WZKOKCIOGBITTK-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1C	764892707	YIHBABOECUOSCG-WQRHYEAKSA-N	292.382	4.223	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(C)oc2C)c1	767886169	FMYFTACOJYZOOJ-RQZCQDPDSA-N	279.339	4.303	50	20	CIGD	
CCc1ccc(NC(=O)NNc2ccccc2Cl)cc1	769922375	BBCWBVAFPIUOEA-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc(Cl)nc1	799891962	KERSCOVSGHLDNM-GQCTYLIASA-N	292.165	4.370	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1	806398311	DWNHQPUERNVVAX-DJIMGWMZSA-N	286.419	4.045	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1322087641	GGSNCZDRORFTFP-MHWRWJLKSA-N	293.391	4.335	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1ccc(F)cc1	195173131	PBDVPEBQJVVTGB-NTEUORMPSA-N	283.277	4.063	50	20	CIGD	
CC(C)CCCCCC(=O)NNc1cccc2cnccc12	748775889	HOZFTJWSFYJYLG-UHFFFAOYSA-N	299.418	4.284	50	20	CIGD	
Cc1cccc(NC(=O)NNc2ccccc2Cl)c1C	769923417	MVQNXPFURFINPV-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCCCc1ccc(-c2csc(/C(C#N)=C(\C)N)n2)cc1	806552890	AZGGDSUDVCKLRR-NTCAYCPXSA-N	297.427	4.366	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc2ncccc12	871600006	YOEIQGBZZXDGSH-PTNGSMBKSA-N	278.355	4.147	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	14150824	CYUACEYSKCJOGY-LGMDPLHJSA-N	291.350	4.265	50	20	CIGD	
CC[C@@H](CBr)c1ccc(Br)cc1	49793942	NNJLCUQWTDVSQJ-QMMMGPOBSA-N	292.014	4.338	50	20	CIGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)C1CCCCC1	130183611	ZIMPRFFTCUHFQN-JYRVWZFOSA-N	275.298	4.021	50	20	CIGD	
N#C/C(=C/c1cccs1)C(=O)c1ccc(Cl)cc1F	179607444	TTWNHMXBEHLYIB-TWGQIWQCSA-N	291.734	4.330	50	20	CIGD	
CCc1cccc2c(/C=C(/C#N)C(=O)CC(C)C)c[nH]c12	255397884	LLSCYHCKQMZFIE-ZROIWOOFSA-N	280.371	4.252	50	20	CIGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(SC(C)C)cc1	728429204	AODDASLCRKMHQO-GFCCVEGCSA-N	292.448	4.073	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)ccc1F	734981006	LSFSOBXBIOYLBZ-ZROIWOOFSA-N	259.324	4.046	50	20	CIGD	
CSc1ccccc1CN(C)/C(=C/C#N)c1ccccc1	791599037	NERRVKXAXBMHAV-SFQUDFHCSA-N	294.423	4.405	50	20	CIGD	
C=CC[C@H](C)C(C)=NN(CCC)C(=O)OC(C)(C)C	794995715	MSIVXQARZLAJCG-LBPRGKRZSA-N	268.401	4.222	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)Nc1ccccc1Cl	915880399	BBRPIORNVVKVLM-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)Cc1c[nH]c2ccccc12	915953568	NPSMDFMFZMUTDO-CYBMUJFWSA-N	299.418	4.029	50	20	CIGD	
FC(F)CC1(c2ccccc2)CC(CBr)C1	1898223354	LCIRORROLYKKIZ-UHFFFAOYSA-N	289.163	4.385	50	20	CIGD	
N#CC(C#N)=Cc1cc(Cl)ccc1OC1CCCC1	78691920	AMANXDLKSWVXPT-UHFFFAOYSA-N	272.735	4.092	50	20	CIGD	
Clc1ccc(CC2(CBr)CC2)s1	85051233	OQJWMGPECRTCSW-UHFFFAOYSA-N	265.603	4.119	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1C	125431595	XDTDFMAXHHKAHH-NVNXTCNLSA-N	268.385	4.441	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(F)c3cccnc23)n1	164633409	ZIIKKSSQSQQAPW-KPKJPENVSA-N	295.342	4.203	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(Cl)ccc1F	178865762	MUJHWPQMZPGJEQ-IZZDOVSWSA-N	265.715	4.001	50	20	CIGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3occc3C)c[nH]c2c1	742348945	GQISHSYJPGWAEI-MDWZMJQESA-N	290.322	4.168	50	20	CIGD	
CN(N=C[C@@H]1CCCC(C)(C)C1)C(=O)OC(C)(C)C	752726590	HYEJCPNJGFJFBH-GFCCVEGCSA-N	268.401	4.056	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(F)cc(F)c2)c1	755407653	YKFNABRYTHFFCB-UUASQNMZSA-N	297.304	4.372	50	20	CIGD	
O=C(CCCC1CCCC1)NNc1ccc2ccccc2n1	777463334	PUBOVYZWQMVZIA-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
N#C/C(=C\c1ccccc1)C(=O)c1ccc2ncccc2c1	794885424	RLCROHCWSBMNRE-GZTJUZNOSA-N	284.318	4.025	50	20	CIGD	
CCCN(N=C[C@@H]1CC[C@@H](C)C1)C(=O)OC(C)(C)C	794996666	UMDXAGGWCVVGEW-CHWSQXEVSA-N	268.401	4.056	50	20	CIGD	
Cc1ccc2sc(C(=O)NNc3ccccc3C)cc2c1	810019678	OFEONQOHOPLLSJ-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
N#C/C(=C\c1c(Cl)cncc1Cl)C(=O)C1CCCC1	865222264	RJQKSQHTJCRVJJ-BJMVGYQFSA-N	295.169	4.055	50	20	CIGD	
Cc1cccc([C@@H](CBr)OCC(F)(F)F)c1	50481893	OSNDRJRMDVHDAP-SNVBAGLBSA-N	297.114	4.010	50	20	CIGD	
C=C(CBr)CN[C@@H](CCC)c1ccccc1	310012496	JDKVHHHICKKJHB-AWEZNQCLSA-N	282.225	4.069	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1	588580357	FUPKNFXBMHQYMP-GDNBJRDFSA-N	271.323	4.002	50	20	CIGD	
Cc1noc(C)c1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797407474	UVOTUDHCJUBKNG-WDZFZDKYSA-N	287.388	4.110	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc(F)c2)c1	918714246	RAFKBSWOJZSUNY-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
CC(C)CCCO[C@H]1CCCC[C@@H]1Br	50502960	NXVCKNSMCURLBB-RYUDHWBXSA-N	263.219	4.145	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)cc1	120455802	QHQRADJSJAAFGI-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
N#C/C(=C/c1ccc(CSC(F)F)o1)c1ccccn1	255418795	HHBLSIWUBIPVOT-YFHOEESVSA-N	292.310	4.195	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(C)n(C2CC2)c1C	255892228	MUHYXMAXRPDWFQ-DHDCSXOGSA-N	294.354	4.131	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc2ccccc2c1	726120646	XHUZMFIZFYQWRQ-BOPFTXTBSA-N	263.340	4.362	50	20	CIGD	
C[C@H](NC=C(C#N)C#N)c1ccc(Oc2ccccc2)cc1	751259034	FNJWXFLFJMNOME-AWEZNQCLSA-N	289.338	4.061	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758061669	BKUFYXBRNGKIMK-ZRKZXTBTSA-N	289.325	4.433	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)C2CCCC2)cc1C	781553888	YXFSHWGVFVWOBK-YVLHZVERSA-N	267.372	4.278	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)c1cnc2ccccc2n1	790227190	GHSLQEFBGVMWQM-YRNVUSSQSA-N	297.770	4.409	50	20	CIGD	
CC(C)[C@@H](C=NN(C)C(=O)OC(C)(C)C)c1ccccc1	794496554	YISMUAZLFRPCCC-OAHLLOKOSA-N	290.407	4.279	50	20	CIGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)C(C)(C)C)c1	176902278	WCFLCMQSEGDUSG-XYOKQWHBSA-N	293.313	4.119	50	20	CIGD	
CC(/C=C(\C#N)c1ccc([N+](=O)[O-])cn1)=C\c1ccccc1	812245272	PMYRCJXGEFWZCZ-XHWVFBAXSA-N	291.310	4.000	50	20	CIGD	
N#C/C(=C\c1cc2ccncc2s1)C(=O)C1CCCCC1	849179639	RSGBLKGCOXOQRU-NTEUORMPSA-N	296.395	4.353	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnc(C(C)C)s1	1332398772	DHPKHGUOQANJCX-MDWZMJQESA-N	296.395	4.365	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)s1	5070221	RVFHTTQSMAWJMR-FMIVXFBMSA-N	279.368	4.007	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)cccc2F)cc1	154301378	DVRKEHFPAOKMIR-UKTHLTGXSA-N	283.277	4.063	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F	171019860	MJMXCQFHUOIZQN-XYOKQWHBSA-N	297.276	4.107	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2sccc2C)o1	177636769	SYAMEEJAISSHMP-DHZHZOJOSA-N	271.341	4.002	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	213932434	PQSKDUTZUCJVTH-FLIBITNWSA-N	281.277	4.228	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1	730588199	BGQFTRDXFQICEA-LCYFTJDESA-N	285.705	4.269	50	20	CIGD	
Cc1ccc(NC(=O)NN=C[C@H]2CC=CCC2)c(Cl)c1	741765426	APHXINRTAIPOBZ-LBPRGKRZSA-N	291.782	4.112	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc(Cl)c1F	759641903	FUYBMJUCVJEBEN-XFFZJAGNSA-N	279.742	4.391	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1C	767351688	IPNSLZQUBJRDOG-SEEODLKFSA-N	261.752	4.171	50	20	CIGD	
C[C@@H]1C(=NNC(=O)c2ccc(Cl)cc2F)CCC[C@H]1C	781126366	FPYRBRDCVAOIIR-ZJUUUORDSA-N	296.773	4.021	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)C(C)(C)F	834447082	HPEGGLGAYCKJHA-YRNVUSSQSA-N	279.742	4.181	50	20	CIGD	
O=C(NN=C1CC(c2ccccc2)C1)c1ccccc1Cl	1324910192	IADKJEJNKVWPLP-UHFFFAOYSA-N	298.773	4.003	50	20	CIGD	
COc1ccsc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	764417141	MEUPQLGVRHGDIZ-FLIBITNWSA-N	295.367	4.006	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C)c(F)c2)cc1	764891317	KOLBATFIUUVLDT-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc(Cl)cc2F)C[C@@H]1C	767384664	ICOIFGMAQMGYBF-UWVGGRQHSA-N	296.773	4.021	50	20	CIGD	
Cc1ccc([C@H](C)N(C)C[C@@H](C)CBr)cc1	770647722	LKOTWEXZRIQSKI-STQMWFEESA-N	284.241	4.019	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)C2CCCC2)o1	781552688	CLDKLSAJVIYCIR-KXPSEFJGSA-N	269.344	4.069	50	20	CIGD	
ClCCCOc1ccc(CN2[C@H]3CCC[C@H]2CC3)cc1	811463808	HUMXJABOUVDWBW-HOTGVXAUSA-N	293.838	4.211	50	20	CIGD	
O=C(CCl)N1CCCCC[C@@H]1c1ccc(Cl)cc1	1320465162	AVOJVQBRVNRYPQ-CYBMUJFWSA-N	286.202	4.023	50	20	CIGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1ccc(F)cc1F	1321839889	QPQFBINKSFRSKW-NSHDSACASA-N	296.361	4.014	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	32108350	GKEOYANJCTXCIJ-RIYZIHGNSA-N	254.358	4.133	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)C(C)(C)C	179367623	HZTCQPPDWBXIDG-FMIVXFBMSA-N	267.328	4.263	50	20	CIGD	
C[C@@H](CBr)Cc1ccsc1Br	307119719	AEBMKUXNYZXPBD-ZCFIWIBFSA-N	298.043	4.084	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1	588597392	IYLPGSJVGCPDQG-DHDCSXOGSA-N	295.313	4.014	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c1	731784322	KMFNITADPXJMJW-LSDHHAIUSA-N	288.435	4.291	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1ccccc1	740922842	ZOGNUILSPQSNKS-AWEZNQCLSA-N	262.397	4.126	50	20	CIGD	
CCc1ccc([C@@H](C)C(=O)NNc2cc(C)ccc2C)cc1	748400649	JKUNVFDDVCVCHL-OAHLLOKOSA-N	296.414	4.113	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccccc1C1CC1	750818000	LWKHIHPRBWNOHX-XNTDXEJSSA-N	253.345	4.086	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1C	764888297	VXCLBQXUMWHVJR-BOPFTXTBSA-N	291.350	4.102	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1Cl	766289414	IIBHVJFTOSAICE-NTUHNPAUSA-N	261.752	4.171	50	20	CIGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781552650	BXVZIOYHFZLFGK-GHRIWEEISA-N	296.414	4.199	50	20	CIGD	
Cc1cccc(C(=O)NN=C2CCC3(CCCCC3)CC2)n1	794567681	SHUYWCIADSANEV-UHFFFAOYSA-N	299.418	4.000	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccnc2ccccc12	905073017	CRXFNXJENDXHKA-KAMYIIQDSA-N	278.355	4.147	50	20	CIGD	
ClCc1ncc(-c2ccc(Cl)cc2Cl)o1	36903585	KXOZNJRJMRXXMN-UHFFFAOYSA-N	262.523	4.387	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(F)cc1F	212128853	SECPBHVQEGUGRP-JYRVWZFOSA-N	283.277	4.063	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2sccc2C)ccc1[N+](=O)[O-]	255723777	UWCBWVQUNYRKDQ-JYRVWZFOSA-N	284.340	4.337	50	20	CIGD	
N#C/C(=C\c1ccccc1)c1nc2cc(F)ccc2s1	730148756	LANOTCYGZZGJPL-XYOKQWHBSA-N	280.327	4.500	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)C1CCCCC1	767711979	AUFKGQZROGJVSE-UVTDQMKNSA-N	273.763	4.396	50	20	CIGD	
CCCC(CC)=NNC(=O)c1cc2c(s1)CCCCC2	776185238	HHBYHJJHHVRLLR-UHFFFAOYSA-N	292.448	4.313	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(SC)cc1	794951604	FSTRUQZSWWBXDL-RAXLEYEMSA-N	273.401	4.321	50	20	CIGD	
CC1(C)C[C@@]1(C)NC(=O)CCCC[C@@H]1CCSS1	856134985	QSQWIJBGECLMAX-BXUZGUMPSA-N	287.494	4.005	50	20	CIGD	
Clc1ccc(CO[C@H]2CCC[C@@H]2Br)cc1	83473537	BENXHLFINDCVOO-RYUDHWBXSA-N	289.600	4.173	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1sccc1C	588394205	XCSOTCWZOHZNLC-QPEQYQDCSA-N	285.343	4.294	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc(F)c2F)c1	730729648	LBHSJGUCISGNNH-OQLLNIDSSA-N	297.304	4.372	50	20	CIGD	
CC(=NNC(=O)c1ccc2ccccc2c1)C1CCCC1	733076350	NNAKYRDJGWWZTF-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)c1ccc(F)cc1	747697622	ZKXNLWKHPOVMSL-JSAOQESESA-N	295.288	4.311	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccc(C)o1	752175684	OLPGWICOAAMXRQ-UHFFFAOYSA-N	264.369	4.054	50	20	CIGD	
O=C(NN=C1CCC2(CCCCC2)CC1)c1ccccc1	786038482	VTCYHIAFVXORQX-UHFFFAOYSA-N	284.403	4.297	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	790601986	YZBPECVSEDZVRP-XYOKQWHBSA-N	290.432	4.353	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccccc1F	799889412	OICIQVRUNNWURM-HJWRWDBZSA-N	274.722	4.461	50	20	CIGD	
C#CCCCCCC(=O)NNc1c(C)cccc1C(C)C	812770801	ZTMVSFAMMDOYOJ-UHFFFAOYSA-N	286.419	4.145	50	20	CIGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc(Cl)c1	915879894	AIRJPBFUNZKVPR-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	49371862	VOFXEXKYCQIPMS-POHAHGRESA-N	265.715	4.001	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1F	109143733	SQQGBSWVZFDAER-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
CCCCCC[C@H](C)CC(=O)NNc1ccccc1	732265509	IZFNREJBXVXEMP-AWEZNQCLSA-N	262.397	4.126	50	20	CIGD	
Cc1ccc(CN(C)/C(=C/C#N)c2ccc(F)cc2)cc1	750791661	SLHDBGCLVGUCIG-WOJGMQOQSA-N	280.346	4.131	50	20	CIGD	
CC[C@@H](C)CCCCC(=O)NNc1cccc(C)c1	753410908	LWILJPIJJBALCJ-CYBMUJFWSA-N	262.397	4.045	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	753683505	RRWJYAOLKRORCO-CAXXOGMASA-N	265.715	4.001	50	20	CIGD	
CCCCCC(=O)NNc1c(Cl)cccc1Cl	763616565	VAAAXZQMIFGOMJ-UHFFFAOYSA-N	275.179	4.017	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794874395	YPKQRTILZINBRR-JYRVWZFOSA-N	287.265	4.316	50	20	CIGD	
C=C(CBr)CN1C[C@@H](C)C[C@@H]1c1ccccc1	796620548	QAJRBJCMWNOWHT-SWLSCSKDSA-N	294.236	4.021	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(C#N)cs2)s1	797398661	JMQMHMYBPWCUMD-VZUCSPMQSA-N	299.424	4.438	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(F)n2)s1	901509637	YLLYKHIDGUHQNA-YFHOEESVSA-N	287.363	4.039	50	20	CIGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(C(C)C)o2)c1C	1117203428	XUXWSULWSLAHNB-DHDCSXOGSA-N	298.390	4.086	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1318851493	SEWGUEWCNWMZRB-HNEYUBDGSA-N	267.372	4.088	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C)c2)c1	59269561	XPVFMZNFVSBSMZ-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
Clc1ccc(CO[C@H]2CCC[C@H]2Br)cc1	83473543	BENXHLFINDCVOO-NEPJUHHUSA-N	289.600	4.173	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(F)c2)s1	255765015	AHXAFBMAJREXIU-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	726183962	OHQHDCGSPXDNKD-KXPSEFJGSA-N	271.360	4.315	50	20	CIGD	
C#CCCCCCC(=O)NNc1cc(Cl)ccc1Cl	780600264	HTYUYZBUBCDPPO-UHFFFAOYSA-N	299.201	4.020	50	20	CIGD	
CC(C(=O)NNc1ccc(C(C)(C)C)cc1)=C1CCCC1	781041005	JBHZHIXXHOMDMI-UHFFFAOYSA-N	286.419	4.318	50	20	CIGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)C1CCCCC1	794690286	HWUJSNQQENVHBG-WJDWOHSUSA-N	279.339	4.489	50	20	CIGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)CC)cc1	794873021	AXARLSSHDSQUDN-DTQAZKPQSA-N	295.382	4.001	50	20	CIGD	
Cc1ccc(-c2nnc([C@H](Br)C(C)(C)C)o2)o1	1325832792	LIIQMMXUJIAOCN-VIFPVBQESA-N	299.168	4.120	50	20	CIGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1ccccc1	750818049	NRIDKXDMWIGKRJ-SFQUDFHCSA-N	273.335	4.354	50	20	CIGD	
CCC[C@@H](CC1CCCCC1)C(=O)N1CC=C(C#N)CC1	760003611	MKKFPOQWXMZFOC-KRWDZBQOSA-N	288.435	4.055	50	20	CIGD	
N#C/C=C/COc1ccc(-c2ccccc2)cc1Cl	763300922	MKMVECQWDACXRT-SNAWJCMRSA-N	269.731	4.466	50	20	CIGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)C2CCCC2)s1	781555013	YJQNXJYCKUZUDO-WQLSENKSSA-N	288.416	4.107	50	20	CIGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)c2ccccc2)C1	794446102	XHNYABUMJSYJCA-AWEZNQCLSA-N	272.392	4.009	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)c2ccccc2c1	834421643	STWPCSIOCMHRNJ-ATTDUZETSA-N	293.366	4.371	50	20	CIGD	
CCC[C@@H](C(=O)NNc1cc(C)ccc1C)c1ccccc1	857830570	OVEITORYUJYXEC-QGZVFWFLSA-N	296.414	4.330	50	20	CIGD	
N#C/C(=C/c1ccccc1F)c1ccc2ccccc2n1	917146483	OKADIERRTDOICJ-PTNGSMBKSA-N	274.298	4.438	50	20	CIGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccsc3)n2)cc1	7212307	GWDLVPHKHLKQNB-RIYZIHGNSA-N	293.351	4.171	50	20	CIGD	
BrC[C@]1(COCc2ccccc2)CC=CCC1	307151317	CVIDCCWGUHTEGW-HNNXBMFYSA-N	295.220	4.325	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(F)c2F)cc1	764886786	TWEHOWWBGIFQOS-NTEUORMPSA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)ccc2C)cc1	764892343	WGHNLNLDGZXOLU-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)c1ccc([N+](=O)[O-])cc1	771844222	GVDRYGPFNVJPLV-YHYXMXQVSA-N	290.731	4.374	50	20	CIGD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC=C(C#N)CC1	779588695	CJUDZAKBYUWSCD-JTQLQIEISA-N	281.186	4.210	50	20	CIGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ccc(C(C)(C)C)cc2)C1	780806411	PLUMNBGRTFTWMK-NXXVSJRMSA-N	286.419	4.174	50	20	CIGD	
CC/C(C)=C(\C)C(=O)NNc1cc(Cl)ccc1Cl	780992001	KOMVVWVSKVDYLD-CMDGGOBGSA-N	287.190	4.183	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2ccoc2C(C)C)c(C)c1	795142756	JACFCYBXDCRYOD-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
CC(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1	812244525	DDKAUYSQIRCBAR-DHDCSXOGSA-N	293.326	4.177	50	20	CIGD	
CCCC1(C(=O)NNc2ccc(C)c(Cl)c2)CCC1	1340293388	JAEKUZHEIGZEFQ-UHFFFAOYSA-N	280.799	4.062	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(Cl)cc2)n1	8079309	SYGXFWYYELRKBN-IZZDOVSWSA-N	260.749	4.169	50	20	CIGD	
CCN(CC(C)C)C(=O)CCCC[C@H]1CCSS1	45485082	BYXALWSGTBTCKI-ZDUSSCGKSA-N	289.510	4.205	50	20	CIGD	
C[C@H]1CC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1	536950263	NROFZRGLIOPVJW-JSGCOSHPSA-N	256.462	4.156	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	741471267	YPAPMYGDXJJVBD-OVGFGYAMSA-N	298.430	4.445	50	20	CIGD	
C=C(C)CCOC(=O)CCCC[C@@H]1CCSS1	744303263	UBDAHOAZHANQCL-GFCCVEGCSA-N	274.451	4.210	50	20	CIGD	
CC(C)C(C)(C)C(=O)NNc1c(Cl)cccc1Cl	784445382	YMTZNXJIPWPAHJ-UHFFFAOYSA-N	289.206	4.119	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811628097	MZYMQDVSHAKHFP-HMXLAXJASA-N	287.306	4.289	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C12CCC(CC1)C2	812767091	CPPWLTZUJBPLME-UHFFFAOYSA-N	286.419	4.142	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1cc(C)nc2ccccc12	818215170	AOTDEUOWEIMWJT-UHFFFAOYSA-N	297.402	4.229	50	20	CIGD	
Cc1cccc(Cl)c1NNC(=O)c1occc1C(C)C	836936795	RPOFXJDCMVXYBI-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1C	871598839	BLPHNZZQPAWSHB-GXDHUFHOSA-N	289.350	4.008	50	20	CIGD	
O=C(N[C@H](c1cccs1)C1CC1)C1CCC(Cl)CC1	1345559857	BLTZCXGNCJRKRI-YIZWMMSDSA-N	297.851	4.113	50	20	CIGD	
O=C(NNc1cccc2cnccc12)C1CCCCCCC1	178514159	IXPLEIJEOOWCDK-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
CCCCc1ccc([C@H](NC=C(C#N)C#N)C(C)C)cc1	747840255	LSGWIPGJENSGBI-GOSISDBHSA-N	281.403	4.247	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1F	767712715	DTOJIBVODPUZKO-DHDCSXOGSA-N	271.335	4.191	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)C1CCCC1	781556524	YXGYUWIKGNYOGD-BJMVGYQFSA-N	265.765	4.068	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863184298	JRUQBPAQOVQALM-JVVDXDAESA-N	287.306	4.289	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cncs2)cc1	178321357	GSOZPJQCEFAQDJ-JYRVWZFOSA-N	296.395	4.230	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)cc(F)c2)cc1	184839627	MKBICHAYEVXRHD-NSIKDUERSA-N	283.277	4.063	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2s1)c1ccccn1	255520541	XQEIYANTUBASKD-JLHYYAGUSA-N	262.337	4.360	50	20	CIGD	
CC[C@@H](NC[C@H](C)CBr)c1ccc(C)cc1	381446118	FVPZTTQINCNABS-TZMCWYRMSA-N	284.241	4.067	50	20	CIGD	
C[C@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C[C@H](C)C1	747752982	JNIJCOJDBWAINN-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cscc1Cl	771857333	CXPOLJGZJZNBIW-UMYFRRCYSA-N	267.781	4.314	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(Cl)c1F	794873846	HWTAXBIOWBHICR-DHZHZOJOSA-N	279.742	4.391	50	20	CIGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(C2CCC2)cc1	855369657	UGGPVMHXFWWGMD-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(Cl)cncc1Cl	865217487	KBBOJLSDNFZHQO-YHYXMXQVSA-N	297.185	4.301	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)s1	1116008787	GUHCGRKLJWJVHM-JLHYYAGUSA-N	281.380	4.409	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccccc1	7155811	HTWNHNHWJNAGBE-PYEASBQRSA-N	273.335	4.423	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccccc1C1CC1	750818346	SYGQPIDEFXQLDS-XNTDXEJSSA-N	277.323	4.255	50	20	CIGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccsc1	808706334	HEPNEJNETKSQSQ-UHFFFAOYSA-N	285.529	4.202	50	20	CIGD	
COc1cc2ccccc2cc1/C=C(/C#N)C(=O)C(C)(C)C	834399086	XWONOYUKRHRKMS-YBEGLDIGSA-N	293.366	4.371	50	20	CIGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1	6827172	GRAOYPBYIRWLQL-XNTDXEJSSA-N	285.387	4.244	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C)c(F)c2)s1	67428046	LVVUYFNFLURGHH-QPEQYQDCSA-N	285.343	4.294	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)n(C(C)C)c2C)c1	126621681	BKAZYTKLBUWXID-UHFFFAOYSA-N	299.418	4.060	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccsc1	255143714	VSIDCRMGEUVYMK-GHXNOFRVSA-N	273.744	4.191	50	20	CIGD	
CCN(Cc1ccc(OC)cc1)/C(=C/C#N)c1ccccc1	764198238	UHXQXOXCKQQQLB-CPNJWEJPSA-N	292.382	4.082	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)c1ccccc1	767703237	AUFTZQRRUJLWLO-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)C1CCCCC1	780005648	VPBHYNBJTLECLP-WOJGMQOQSA-N	290.366	4.291	50	20	CIGD	
CCCN(N=C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C	794996741	VAZBTOQNLJWVBE-MELADBBJSA-N	280.412	4.056	50	20	CIGD	
FC(F)(F)C[C@@H](CBr)c1ccccc1	396880211	BPVKFLOGKALJSO-VIFPVBQESA-N	267.088	4.118	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1	726594339	JMVGVALHTVDJRQ-BKLZJWBFSA-N	297.276	4.107	50	20	CIGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	747754103	YYWFUVRFRRNIFU-QGZVFWFLSA-N	294.398	4.382	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1F	779221600	YQUCBSRGUQDTDN-XNTDXEJSSA-N	295.313	4.014	50	20	CIGD	
C=C[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	787682128	VUSKFURCWCOSQU-UONOGXRCSA-N	299.505	4.268	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)C(C)(C)CC(C)C	799758944	DENSIQXZFLZDHB-UHFFFAOYSA-N	276.424	4.073	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1Cc2cccc(Cl)c2C1	805805010	IRDJDZACSHLDCN-CAOOACKPSA-N	298.748	4.359	50	20	CIGD	
C=C[C@](C)(CC)C(=O)NNc1cccc(Cl)c1Cl	838348056	CWNSUQBRIXWXTD-CYBMUJFWSA-N	287.190	4.039	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)s1	1248407579	XBQMRRHAWDJRPQ-LCYFTJDESA-N	267.353	4.155	50	20	CIGD	
CCN(CC(C)C)C(=O)CCCC[C@@H]1CCSS1	45485081	BYXALWSGTBTCKI-CYBMUJFWSA-N	289.510	4.205	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(F)cccc1F	48639793	FUMXIRXVILLMOG-YFHOEESVSA-N	289.306	4.125	50	20	CIGD	
BrCC1(CCCOCc2ccccc2)CC1	307255637	BJHITJGXDIVCAQ-UHFFFAOYSA-N	283.209	4.159	50	20	CIGD	
O=C(Cl)c1cnc2cc(C(F)(F)F)ccc2c1Cl	575432204	PFMKKYHJFDKTOK-UHFFFAOYSA-N	294.059	4.286	50	20	CIGD	
N#C/C(=C\c1ccc(O)cc1)c1nc2cc(F)ccc2s1	730149155	UBCOZYJEZTWSAZ-YRNVUSSQSA-N	296.326	4.205	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1F	735616988	QBQAELMOXNZDMJ-RIYZIHGNSA-N	291.329	4.383	50	20	CIGD	
CC[C@@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743765010	CTKIEMUUZBSFNC-QGZVFWFLSA-N	296.414	4.249	50	20	CIGD	
CC(C)(C)CC=NNC(=O)c1ccc(Cl)cc1Cl	755580974	JVLTXGWZUQVSIS-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
N#C/C(=C\c1ccc(O)c(F)c1)c1ccc2ccccc2n1	755588663	TWRQJEMHKLDACL-NTEUORMPSA-N	290.297	4.144	50	20	CIGD	
Cc1cc(C(C)(C)C)cc(C)c1CN1CC=C(C#N)CC1	779585675	GTLYAXRTYBHJIG-UHFFFAOYSA-N	282.431	4.257	50	20	CIGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1ccccc1F	916290938	CSVIMWJMZTXAMH-CQSZACIVSA-N	290.382	4.314	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(F)ccc1F	1317852709	LQJJROYDUUFHAL-JYRVWZFOSA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	7160163	ZHIBMDFWSDDGRJ-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CC=CCC1	36725142	DWOGYFPMMKAARH-INIZCTEOSA-N	292.382	4.212	50	20	CIGD	
Clc1ccccc1[C@H](CBr)OCC1CC1	50480121	ONQZCOIESZIGIP-LBPRGKRZSA-N	289.600	4.203	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1	131062126	HFUJUWNARKNJPY-LCYFTJDESA-N	277.302	4.075	50	20	CIGD	
O=C(CCC1CCCCC1)NNc1cccc2cnccc12	178523012	NQJPJQZCPMASBH-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	735619743	QQGBVIYQPWHKCD-GDNBJRDFSA-N	273.339	4.244	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cl	779706376	BTFCRNBPTCLZPN-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
N#C/C(=C/c1sccc1Cl)C(=O)C1CCCCC1	780004227	IORJYDGKZLKSHI-FLIBITNWSA-N	279.792	4.458	50	20	CIGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(C(C)(C)C)cc1	781042262	NMJABHMPALJWAJ-OUKQBFOZSA-N	274.408	4.174	50	20	CIGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1CCCCC1	791717361	JYHSMLHWHZSWQW-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc2ccccc12	797336221	AYLZOTMXCJOYTH-GHRIWEEISA-N	292.382	4.053	50	20	CIGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(OCC)cc1	817889283	CVGSOIYFTWCAHK-AWEZNQCLSA-N	292.423	4.135	50	20	CIGD	
C=C(C)C(C)(C)C(=O)NNc1c(Cl)cccc1Cl	819390719	STELRFFRVCWIFI-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
O=C(NN=C[C@H]1CC=CCC1)c1ccc(Cl)cc1Cl	916360450	SZAXMDRBZZTTLI-JTQLQIEISA-N	297.185	4.065	50	20	CIGD	
CCc1sc(C(=O)NNc2cccc(Cl)c2)cc1C	46081041	RADDOTSTUUNQOB-UHFFFAOYSA-N	294.807	4.029	50	20	CIGD	
Br[C@@H]1CCCC[C@H]1OC1CCCCC1	50502648	NYJUBASFQIRYNF-VXGBXAGGSA-N	261.203	4.042	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C)c(Cl)c2)c1	158680256	WTOCDQKMKLMFLO-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(C)c2C)c1	731155726	RADYJEWDMIVKKM-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	753716221	CFRUNWKXIGQINS-BZPKPHBRSA-N	279.742	4.391	50	20	CIGD	
O=C(CCC1CCC1)NNc1c(Cl)cccc1Cl	763610706	OKZKFZXDRAPWLE-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
C#CCCCCCC(=O)NNc1ccc(C(C)(C)C)cc1	780804040	ZKVJHFVAWDFEIB-UHFFFAOYSA-N	286.419	4.011	50	20	CIGD	
CCCN(N=C(C)c1ccccc1F)C(=O)OC(C)(C)C	794999001	ZYBLSLJPGBOXIE-UHFFFAOYSA-N	294.370	4.197	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CCC2	807951931	CTYFXARBTVYFGB-LLVKDONJSA-N	292.448	4.169	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)OCC1CCCC1	918507338	KLZOETBZIOBHCL-CYBMUJFWSA-N	288.478	4.434	50	20	CIGD	
CC1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	5915727	TXVPAKYEFLQOKO-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
N#C/C(=C\c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12	23217985	QIWMBULXVRNVTG-MDWZMJQESA-N	290.297	4.097	50	20	CIGD	
CCCc1ccc(C(=O)NNc2cccc(Cl)c2)cc1	49032760	HATAICVQRFFMLL-UHFFFAOYSA-N	288.778	4.049	50	20	CIGD	
C[C@H](CBr)c1cccc(C(F)(F)F)c1	84192491	ACWUBBIXPNMWKH-SSDOTTSWSA-N	267.088	4.204	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2cnccc2c1	782343534	WSCXVAMCEYGTFY-OMJMQIJPSA-N	278.355	4.147	50	20	CIGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2cc3ccccc3o2)C1	794520877	WGQCHPBBLUOORX-CYBMUJFWSA-N	298.386	4.365	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1ccc2ccccc2n1	814682607	OJEQBZNUHRPPDE-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
CCc1cnc(SCCO[Si](C)(C)C(C)(C)C)[nH]1	821084705	UFPXCPCMWDOXAT-UHFFFAOYSA-N	286.517	4.086	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1nccc2ccccc12	1318782435	JHCIINUORMQBNN-VBKFSLOCSA-N	298.345	4.333	50	20	CIGD	
O=C(CCl)Nc1ccccc1Oc1ccccc1Cl	1319678613	KNCJTSIYNHALMY-UHFFFAOYSA-N	296.153	4.310	50	20	CIGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1ccccn1	72117930	GWRKDEFIPJJPCH-VKAVYKQESA-N	289.382	4.136	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	158639026	NRWMRAIUZFPWSI-UXBLZVDNSA-N	265.715	4.001	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)s1	731156875	OCVTUFJMPFHJQM-PKNBQFBNSA-N	285.343	4.239	50	20	CIGD	
CC[C@H](CC(=O)NNc1ccc(C)cc1)c1ccc(C)cc1	749194248	PSTJSWLMPBCPFB-MRXNPFEDSA-N	296.414	4.330	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)C2CCCCC2)c1	767715117	UENKEXYZLCRWDD-BOPFTXTBSA-N	267.372	4.360	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(SCC)c1	769724841	IYCKAUAJIRIUJE-UVTDQMKNSA-N	289.400	4.049	50	20	CIGD	
CC[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1	785360336	AHRZWRIDFXEUKM-MTMYEVCSSA-N	291.350	4.288	50	20	CIGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)c2ccccc2)s1	790598519	NRHLJCQLKMGLBY-UKTHLTGXSA-N	296.395	4.230	50	20	CIGD	
CN(CCCC(C)(C)C#N)CCO[Si](C)(C)C(C)(C)C	844343257	DWIVZAIWWTXOBC-UHFFFAOYSA-N	298.547	4.270	50	20	CIGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1	11297339	ZWOGZJQIARKZQL-OVCLIPMQSA-N	292.725	4.002	50	20	CIGD	
O=C(c1cccc(CCl)c1)N1CC[C@@H](c2ccccc2)C1	50599511	FIBMNIWGLDSTML-QGZVFWFLSA-N	299.801	4.055	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C=C(C)C	175637948	UCGWMBZZVBFVGH-UHFFFAOYSA-N	288.416	4.289	50	20	CIGD	
C[C@H](CC=NN(C)C(=O)OC(C)(C)C)c1ccccc1	494002188	NWEBQBMXICXPMW-CYBMUJFWSA-N	276.380	4.033	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)s1	731156962	QAFQDQPEUFBJDK-FMIVXFBMSA-N	285.343	4.239	50	20	CIGD	
CCOc1ccc(CN(C)/C(=C\C#N)c2ccccc2)cc1	750599876	OFNHQRMNIPJDTO-UYRXBGFRSA-N	292.382	4.082	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	783707794	SCKVHISTYFRZFQ-GZTJUZNOSA-N	292.382	4.456	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)coc1C	812770294	KWPLLEHHVQFALY-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
CC1(C)CCC[C@@H](C=NNC(=O)c2ccccc2Cl)C1	1116365661	QLDZMOOYZJTRRF-GFCCVEGCSA-N	292.810	4.272	50	20	CIGD	
N#CC(CCCl)(c1ccccc1)c1ccccc1	162209	LCROJVAYYOEZCF-UHFFFAOYSA-N	255.748	4.125	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(O)c2)cc1	212018701	ZRHJIQMHTFBWMP-BOPFTXTBSA-N	291.350	4.135	50	20	CIGD	
C[C@@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C[C@@H](C)C1	747752979	JNIJCOJDBWAINN-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)C1CCCCC1	767713892	NANLHQRKIOXHIM-UKTHLTGXSA-N	275.298	4.021	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)C1CCCC1	782196669	HBRDVZMWHGNGAI-KPKJPENVSA-N	277.726	4.145	50	20	CIGD	
C=CCC1(C(=O)NNc2c(C)cccc2C(C)C)CCC1	812765976	BITOZRPFMXCAAU-UHFFFAOYSA-N	286.419	4.308	50	20	CIGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1	824220945	GKTDOOSFHRATKP-MSOLQXFVSA-N	294.398	4.022	50	20	CIGD	
CCCC(CCC)=NNC(=O)c1ccccc1Cl	6039122	JVSIWMIJRDQVCN-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cc3cc(C)ccc3o2)c1	159150781	YWFCAGXCFZIRDW-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)s1	731157151	SNJMQOYFTJWZIX-FLIBITNWSA-N	271.341	4.002	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc3ccccc3n2C)c1	734980973	LHWTUQCQGJRJBO-GXDHUFHOSA-N	291.329	4.085	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C[C@@H](C)c2ccccc2C)c1	748380762	SALBSZDOQFPHJU-MRXNPFEDSA-N	296.414	4.249	50	20	CIGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	755109523	OQINUTFYJHVWIN-LBPRGKRZSA-N	286.350	4.096	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1cccc(F)c1	772178379	DWXXWQBRVIFKEM-WDZFZDKYSA-N	291.734	4.330	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](CC(F)(F)F)C1	817280830	DOPRBNIGXYCKKA-MGMWDDNKSA-N	294.320	4.215	50	20	CIGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(C)o3)n2)cc1	915862447	KTJXRRKNNOYPGA-ZROIWOOFSA-N	291.310	4.011	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C[C@@H](C)CC(C)(C)C)c1	916978432	PBKQTGVCPWLQJF-CQSZACIVSA-N	276.424	4.209	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1Cl	741470593	SFTNIRYSWBYIST-NASPGAHYSA-N	261.752	4.252	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)C[C@H](C)c2ccccc2C)c1	748426574	BTPRGWVRGOUUQL-INIZCTEOSA-N	296.414	4.249	50	20	CIGD	
CCCCCOc1ccc(/C=C(/C#N)c2ccncn2)cc1	758916894	SSEOXYDDDCPSOQ-VBKFSLOCSA-N	293.370	4.110	50	20	CIGD	
CC1(C)CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	767788645	OAJSWTSSIVAELK-UHFFFAOYSA-N	296.773	4.165	50	20	CIGD	
CC(C)(C)c1cnc(/C=C(/C#N)C(=O)c2ccccc2)s1	790598515	NRHLJCQLKMGLBY-LCYFTJDESA-N	296.395	4.230	50	20	CIGD	
CC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCCC1	791719033	FCOGSNJABDUQJN-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
O=C1/C(=C\c2cccc(CCl)c2)Cc2ccccc21	799888498	FLGMOPBGGQPKKH-DHDCSXOGSA-N	268.743	4.248	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Cl)s1	101800029	PZNUKZKMFXRFMM-YFHOEESVSA-N	267.781	4.314	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)s1	171019403	PZNUKZKMFXRFMM-JXMROGBWSA-N	267.781	4.314	50	20	CIGD	
CCc1ccccc1C(=O)NNc1ccc(C(C)(C)C)cc1	181125090	SCUPAIAGAOYPMU-UHFFFAOYSA-N	296.414	4.303	50	20	CIGD	
Cc1ncccc1/C=C(/C#N)c1nc(C(C)C)cs1	255497134	XWNVVFUXPYFTRC-QPEQYQDCSA-N	269.373	4.034	50	20	CIGD	
Cn1c(/C(C#N)=C/c2cscc2Cl)nc2ccccc21	771842494	TUBMIYFEXQTIMM-UXBLZVDNSA-N	299.786	4.352	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccccc1F	777872409	SZQUWKDTDDXTLN-JYRVWZFOSA-N	283.277	4.063	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)C(C)(C)CC)s1	794873212	CAVGHAQYKFOSOI-LUAWRHEFSA-N	261.390	4.223	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	794873972	ILHNPXQQIVLEHE-GDNBJRDFSA-N	285.387	4.386	50	20	CIGD	
O=C(NNc1ccccc1)Nc1cccc(C2CCC2)c1	812993544	QWSCRQZUVCPMCR-UHFFFAOYSA-N	281.359	4.103	50	20	CIGD	
CCC1CCC(CBr)(OCC2CC2)CC1	50480138	RXPLZHPCRHJJCA-UHFFFAOYSA-N	275.230	4.147	50	20	CIGD	
C[C@H]1CCC[C@](CBr)(OC2CCCC2)C1	50503514	BGENQGJSXSOBQK-AAEUAGOBSA-N	275.230	4.289	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc(C)c2C)n1	66468382	HVENBUVKGRXMTM-AUWJEWJLSA-N	254.358	4.133	50	20	CIGD	
CC(C)(C)CCO[C@@H]1CCCC[C@H]1Br	85341084	JJWBOHDHHWDWDV-GHMZBOCLSA-N	263.219	4.145	50	20	CIGD	
CCOc1cc(CBr)cc2ccccc12	238264127	YQAGKNFPWGLICI-UHFFFAOYSA-N	265.150	4.133	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(OC(F)(F)F)c1	255550843	XFEOOKKJEMOPAG-GHXNOFRVSA-N	297.276	4.107	50	20	CIGD	
CCCCC(C)=NNC(=O)c1c(Cl)cccc1Cl	727781565	QJBCVNMOVKTXCM-UHFFFAOYSA-N	287.190	4.289	50	20	CIGD	
Cc1ncccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730149535	ANXJTZQFDKMSDS-GHXNOFRVSA-N	295.342	4.203	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)C1CCCCC1	746519925	IERFXUZKNXYKNC-GXDHUFHOSA-N	279.339	4.489	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cccc3ccsc23)c1	768311384	MQANYWBWOJZHHR-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1	810216560	KRBMRNPXUULOCE-DHDCSXOGSA-N	281.742	4.438	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863177689	UTQIRVZRNMRYGD-TWGQIWQCSA-N	287.306	4.289	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1sccc1C	1317702996	SKDHIBXOPGERTD-LCYFTJDESA-N	267.353	4.155	50	20	CIGD	
O=C(CCl)Nc1cccc(-c2ccc3ccccc3c2)n1	1323270674	XFZBDYLTSFDHOK-UHFFFAOYSA-N	296.757	4.079	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)c1nc(C)c(C)s1	121253400	WUWHVUMYJKXMEZ-RIYZIHGNSA-N	268.385	4.441	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)NCC1(C2CC2)CC1	160077101	BAMHRLXECKFWHJ-ZDUSSCGKSA-N	299.505	4.007	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	213083109	JKJWKYZRNWLKOU-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CCCCCCCCC(=O)NNc1ccccc1F	748050840	WXLFURAVLIQPMV-UHFFFAOYSA-N	266.360	4.019	50	20	CIGD	
C/C(=C/c1ccccc1)CN(C)C[C@H](C)CBr	755192371	ATZWOZIFWJOUIV-RNQWEJQRSA-N	296.252	4.053	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	756744376	HPZYFRXQVBOJOG-BZUAXINKSA-N	286.419	4.045	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cnc(C2CCC2)s1	760209170	GBEKTGIDWPOKFF-GHXNOFRVSA-N	288.416	4.323	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1	798230276	ODMYXAPNGFVKRP-CXUHLZMHSA-N	265.312	4.193	50	20	CIGD	
N#C/C(=C/c1ccc(C2CC2)cc1)C(=O)C1CCCC1	840722206	YEJIAGKQYPHDOA-BOPFTXTBSA-N	265.356	4.230	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccsc2)c(C)c1	44027989	PDVKFFQSLDYIIA-NVNXTCNLSA-N	267.353	4.155	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1ccsc1	255502401	AMXAWDMNTMWSBS-GHXNOFRVSA-N	279.320	4.284	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1	741474780	RLACQCWMGOOKPP-NASPGAHYSA-N	261.752	4.252	50	20	CIGD	
O=C(NNc1ccccc1Cl)C1CCCCCCC1	748317628	KTTLUAJRJZGQOJ-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccccc1C1CC1	750817374	DWOJFWWQABHKOD-GDNBJRDFSA-N	267.372	4.476	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)CCC1CCC1	812765180	YMRHVYTXUPOETQ-UHFFFAOYSA-N	274.408	4.142	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccccn2)c(Br)c1	152131460	HCWLARADTVNUIM-LCYFTJDESA-N	299.171	4.217	50	20	CIGD	
CC(CCc1cccc(C)c1)=NNC(=O)CC1CCCC1	749447634	UYESFFRSXMULHY-UHFFFAOYSA-N	286.419	4.000	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1F	759645518	YXOPESOKVPZPIW-MDXIRLPMSA-N	265.715	4.001	50	20	CIGD	
CC(C)C(C)(C)C(=O)NNc1cc(Cl)cc(Cl)c1	791729274	JTVIIXQVQVZQGO-UHFFFAOYSA-N	289.206	4.119	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]cc1C1CC1	880077783	RTZDRAZRSLVWFG-UHFFFAOYSA-N	297.402	4.081	50	20	CIGD	
N#C/C(=C\c1cccn1C1CC1)c1nc(C2CC2)cs1	1346002011	LNYITJPFGSVSBD-XYOKQWHBSA-N	281.384	4.221	50	20	CIGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1c[nH]c2ccccc12	769568180	YYKVMXLXMFDALK-STQMWFEESA-N	297.402	4.100	50	20	CIGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)c1nc2ccccc2[nH]1	776720860	AEIJNNPAYVIASR-VZUCSPMQSA-N	297.720	4.420	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)c1nc2ccccc2[nH]1	799888901	IWUIHQMSZDIKHW-ZROIWOOFSA-N	293.757	4.366	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1C	843266038	SBEFWNVIBIDXGI-RIYZIHGNSA-N	296.395	4.402	50	20	CIGD	
Cc1cc(NC(=O)C2CCC(Cl)CC2)c(C)c(C)c1O	1521335084	LMKHHHCJCSIUBZ-UHFFFAOYSA-N	295.810	4.054	50	20	CIGD	
CC(C)Oc1ccccc1NC(=O)C1CCC(Cl)CC1	1527451264	IXESTMOMFZHNAF-UHFFFAOYSA-N	295.810	4.210	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccccn1	33546849	YKNYPTWILVGMFY-XFFZJAGNSA-N	275.138	4.453	50	20	CIGD	
Clc1ccc(CO[C@@H]2CCC[C@@H]2Br)cc1	83473535	BENXHLFINDCVOO-NWDGAFQWSA-N	289.600	4.173	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2s1)c1ccccn1	123332632	XQEIYANTUBASKD-RAXLEYEMSA-N	262.337	4.360	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1OC(F)F	125494953	VDYNHQOMQSDIGE-NASPGAHYSA-N	293.313	4.200	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)ccc2F)cc1	154744923	YZAYEKPUBPCYNK-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
Cc1ncsc1/C=C(/C#N)c1ccc2ccccc2n1	742433105	PDXRKANLZZXEQH-JYRVWZFOSA-N	277.352	4.064	50	20	CIGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	755109487	OQINUTFYJHVWIN-GFCCVEGCSA-N	286.350	4.096	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1ccsc1	771837341	HRXPBVCNUASKHM-OQFOIZHKSA-N	279.773	4.253	50	20	CIGD	
C=C(CC)COC(=O)CCCC[C@@H]1CCSS1	773471594	DVRBFMCLVFOYCO-GFCCVEGCSA-N	274.451	4.210	50	20	CIGD	
CCCOc1cccc(/C=C(/C#N)C(=O)C2CCCC2)c1	781553931	ZUWXOVXDAFNEOA-WJDWOHSUSA-N	283.371	4.142	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccsc1Cl	790099503	HNWXCZGFMLNSTB-XFFZJAGNSA-N	267.781	4.314	50	20	CIGD	
C[C@H]1CC[C@H](C=NNC(=O)c2ccc(Cl)cc2Cl)C1	800808092	FQCSJUPTBQZJPJ-UWVGGRQHSA-N	299.201	4.145	50	20	CIGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)C1CCCC1	917548074	KCJGIUVGEWSONB-UHFFFAOYSA-N	298.411	4.055	50	20	CIGD	
Cc1ccc(Nc2ccccc2NC=C(C#N)C#N)cc1	52774946	UQFKNXQKZJDZIX-UHFFFAOYSA-N	274.327	4.082	50	20	CIGD	
C[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	101692946	JDOZTGIYFIUMNL-CHWSQXEVSA-N	287.494	4.102	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	255166944	XWCOEJSBYXCZJD-JTTRITNRSA-N	281.277	4.016	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)Nc2ccc(C)c(C)c2)c1	778219280	DDFYPHPTQMZBRD-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc2ccccc2o1	810216551	XJQKQAIKEZCTQS-QINSGFPZSA-N	296.370	4.036	50	20	CIGD	
COc1cccc(C)c1/C=C(\C#N)c1nc(C2CC2)cs1	843273413	ROVZVJFPZCJLOC-MDWZMJQESA-N	296.395	4.402	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1ccc(Cl)cc1	915936397	VSULPGFAQTYDFZ-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)c1nc(C)c(C)s1	32108349	OVRDHSBEIPZOMJ-RIYZIHGNSA-N	254.358	4.133	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	255385318	HGVVDNZMEHCTMU-WDZFZDKYSA-N	299.267	4.367	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	726429342	SVFRWAFPZYZJLC-LKKYZFDUSA-N	279.339	4.469	50	20	CIGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1cccc2ccccc12	747765102	VEODILBRFIQEOP-OAHLLOKOSA-N	294.398	4.382	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)c1ccccc1	759643497	MTOOIMIJFVRBRM-LCYFTJDESA-N	285.705	4.269	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1	772177715	AHIXOBVNZKBUSJ-GIDUJCDVSA-N	297.304	4.372	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)C(C)(C)CC)c1	794874431	LBIGCECOXMDTEQ-RVDMUPIBSA-N	285.387	4.388	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccsc1Cl	1321825602	NYRUCSISZKEKSI-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1	6284518	BNMSLSTWSFYBEC-NTEUORMPSA-N	297.741	4.138	50	20	CIGD	
Br[C@H]1CCCC[C@@H]1OCC1CCCCC1	52147212	AXTVHAQQVCQRKW-STQMWFEESA-N	275.230	4.289	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	179171491	HVOLHEAGMRSAER-POHAHGRESA-N	299.267	4.367	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)s1	255325666	RESDJXWGCUZDMV-CBFJXKFUSA-N	267.781	4.314	50	20	CIGD	
CCCN(N=C(C)CCc1ccco1)C(=O)OC(C)(C)C	495613845	SWXOHMJMOPTYCG-UHFFFAOYSA-N	294.395	4.235	50	20	CIGD	
CCCOc1cccc(/C=C(/C#N)C(=O)C(CC)CC)c1	726118038	HTMYGXRXOLLPNF-WJDWOHSUSA-N	285.387	4.388	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2sccc2C)s1	731159407	QHAFSASTBIATKD-DHZHZOJOSA-N	287.409	4.470	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(F)cc(F)c2)c1	755407651	YKFNABRYTHFFCB-GIDUJCDVSA-N	297.304	4.372	50	20	CIGD	
CCC(C)(CC)C(=O)NNc1c(Cl)cccc1Cl	768271093	IHFURRJMOQUAMC-UHFFFAOYSA-N	289.206	4.263	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794875879	XJUPMLOKYHAKAF-JYRVWZFOSA-N	263.287	4.146	50	20	CIGD	
Cc1ccc(C(=O)/C=C\c2cccc(CCl)c2)o1	799891098	KVYTVVGNYHSTDT-SREVYHEPSA-N	260.720	4.223	50	20	CIGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccccc1Cl	1318631678	ZSJKBXXGFDLUJC-GFCCVEGCSA-N	290.794	4.026	50	20	CIGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)c1ccncn1	1320148388	AIEWFYFQVHDRGK-UVTDQMKNSA-N	289.363	4.269	50	20	CIGD	
O=C(C1CCC(Cl)CC1)N1[C@H]2CC[C@H]1c1ccccc12	1351994609	DUYXYXKEHHHPBZ-INCPQMAJSA-N	289.806	4.202	50	20	CIGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)C(C)(C)C)co2)cc1	175316224	ZNHAXLKZKLNLRA-NTEUORMPSA-N	294.354	4.172	50	20	CIGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)c2ccsc2)c1	299736485	QVSCJJSOPNRIOX-NVNXTCNLSA-N	297.379	4.325	50	20	CIGD	
O=C(NN=C1CC2(CCC2)C1)c1c(Cl)cccc1Cl	772842776	QUQZKNKGWPZUPF-UHFFFAOYSA-N	297.185	4.043	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c1	809145832	GXLYNJCVHOQPQZ-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)C(C)(C)C	915841318	ARUIJZJPJNGULQ-KXIMDHCPSA-N	253.345	4.155	50	20	CIGD	
CC1CCC(O[C@H]2CCCC[C@H]2Br)CC1	50502751	XJRRQVIMNZEDCA-TUUUFIMRSA-N	275.230	4.288	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	254567526	RFGKKNUOIUWWBY-SECBINFHSA-N	299.201	4.289	50	20	CIGD	
C=CCC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCC1	791715873	HYKXHJBBPNRTEF-UHFFFAOYSA-N	299.201	4.183	50	20	CIGD	
CCCCCC(/C=C(/C#N)C(=O)OC)=C\c1ccccc1	810192041	CKQAETFUZXRYSZ-OHCYLCFFSA-N	283.371	4.273	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccsc2)c(C)c1	915990306	ZTSSBSIEJSPXBK-OVCLIPMQSA-N	281.380	4.463	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)c(C)c1	7211102	ZECYOZVTUVFUKA-GZTJUZNOSA-N	275.351	4.402	50	20	CIGD	
CCCN(CCC)C(=O)CCCC[C@H]1CCSS1	101653168	YTOWOFGIOMWVQQ-ZDUSSCGKSA-N	289.510	4.349	50	20	CIGD	
CCCCN(CC)C(=O)CCCC[C@H]1CCSS1	101693301	SOSKESFDDQJCEL-ZDUSSCGKSA-N	289.510	4.349	50	20	CIGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1F	747763877	IAPFKSJPRUPBAN-NSHDSACASA-N	296.773	4.021	50	20	CIGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CC12CCCC2	752810270	HROCQPBWFADAMI-SNVBAGLBSA-N	299.201	4.017	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	753683507	RRWJYAOLKRORCO-NJQKBMNKSA-N	265.715	4.001	50	20	CIGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(C(C)C)cc2)c(C)s1	806553196	JJDGCZKMHUFOFX-RVDMUPIBSA-N	297.427	4.455	50	20	CIGD	
CCC[C@@H](CC1CCCCC1)C(=O)NCCCSC#N	819698452	GLIINUHQQPWIMF-HNNXBMFYSA-N	296.480	4.094	50	20	CIGD	
Cc1cc(C(F)(F)F)ccc1/C=C(/C#N)C(=O)C(C)(C)F	834448279	YSGZNKBYDRJIKA-XFFZJAGNSA-N	299.267	4.238	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1ccccc1Cl	1084133308	UDKDXXJFVUVNJC-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
CCCCCCOC1(CBr)CCCC1	50481479	BGBLHEGEKKJTDP-UHFFFAOYSA-N	263.219	4.291	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	54803114	UWTGXJAOAUQTLA-GDNBJRDFSA-N	283.371	4.140	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(F)cc2)n1	255144463	NIVNLEJYWYFZHY-KPKJPENVSA-N	272.348	4.470	50	20	CIGD	
CCCCC[C@@H](C(=O)NNc1cccnc1Cl)C(C)C	755836986	KEDDUURJTCKIOV-GFCCVEGCSA-N	297.830	4.031	50	20	CIGD	
CC(C)c1ccccc1NC(=O)NNc1ccccc1F	758190205	PFVCWPMQKFVESX-UHFFFAOYSA-N	287.338	4.098	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)OC1CCCCC1	780004152	GPGUBTCKBCRPIQ-POHAHGRESA-N	295.791	4.184	50	20	CIGD	
CCCN(N=CC1CCCCC1)C(=O)OC(C)(C)C	794996527	HJADEFNLGANKFA-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)c1ccccc1	812767968	YNFNGGDCQMQJLD-HNNXBMFYSA-N	296.414	4.365	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)s1	1318850599	MTOPHASLBZBSDX-YBEGLDIGSA-N	293.391	4.335	50	20	CIGD	
CC(C)(C)OC1(CBr)CCCCCC1	50479965	LHOKKFMQUKVRBG-UHFFFAOYSA-N	263.219	4.289	50	20	CIGD	
CCCCCOc1ccc(C(=O)NNc2ccccc2)cc1	70716942	KVHYYQHUAIMPAA-UHFFFAOYSA-N	298.386	4.013	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	179178354	HPKPTFIFUJJCBH-WDZFZDKYSA-N	299.267	4.367	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C#N)s2)c1	255241679	UTZDNCGUTKLVIN-ZSOIEALJSA-N	292.363	4.027	50	20	CIGD	
CC(C)(/C=C/CC(=O)O)CO[Si](C)(C)C(C)(C)C	642881693	YEPFOWKDOOXDAJ-CSKARUKUSA-N	272.461	4.065	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C)cc1C	741473620	JPNVPPLWEIRVSG-YDRQLGOLSA-N	255.361	4.216	50	20	CIGD	
CC(C)C=NNC(=O)Nc1ccc(-c2ccccc2)cc1	755742297	HAIZBUFOTUWAOD-UHFFFAOYSA-N	281.359	4.117	50	20	CIGD	
C=CCC1(C(=O)NNc2cc(Cl)ccc2Cl)CCC1	790804847	SLMRYOMVEOBDMY-UHFFFAOYSA-N	299.201	4.183	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	794873260	CVIZZQZIYUSULB-XFXZXTDPSA-N	293.313	4.200	50	20	CIGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1	798230330	PLFFNGKNRLOJIY-LFIBNONCSA-N	295.338	4.248	50	20	CIGD	
N#Cc1ccccc1C(=O)/C=C\c1cccc(CCl)c1	799894452	VIZGZXLPHLWHNX-HJWRWDBZSA-N	281.742	4.193	50	20	CIGD	
Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)s1	812766241	CILZRTJJBLAFLY-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)c1ccccc1C	1337029083	QQINBQHWPMDOKS-WJDWOHSUSA-N	291.350	4.102	50	20	CIGD	
CC(C)[C@H](NC[C@H](C)CBr)c1ccccc1	309719056	ZZBSBENGDNSHQF-OCCSQVGLSA-N	284.241	4.004	50	20	CIGD	
O=C(CCC1CCC1)NNc1cc(Cl)ccc1Cl	752812050	SLUIXYHOAGPMPD-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CCCCCC[C@](C)(CCC)C(=O)N1CC=C(C#N)CC1	780686350	ZDMZPHVDMZEOMT-SFHVURJKSA-N	290.451	4.445	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	5541480	PEQQVWRAQCBQEE-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
N#C/C(=C/c1ccccc1C(F)(F)F)c1ccccn1	33704664	QGOQMSIIBVYILC-XFXZXTDPSA-N	274.245	4.165	50	20	CIGD	
C[C@H](CBr)Cc1ccc(Br)s1	85051995	DLQPQGYRFBYYHP-LURJTMIESA-N	298.043	4.084	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	255552558	XOKRAPIIAQYAII-WZUFQYTHSA-N	281.277	4.016	50	20	CIGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc(C)o1	752173411	IQCDIZMZVQORCR-UHFFFAOYSA-N	276.380	4.054	50	20	CIGD	
CSc1cc(/C(C#N)=C/c2coc3ccccc23)ncn1	773176894	RBEVLMFLNCTJJY-IZZDOVSWSA-N	293.351	4.009	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)c1nc(-c2ccccc2)no1	916131582	KFQDYEVTVAILSD-LCYFTJDESA-N	293.351	4.171	50	20	CIGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccsc3)n2)cc1	212181704	GWDLVPHKHLKQNB-ZSOIEALJSA-N	293.351	4.171	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc3ccccc3n2C)c1	254984537	BBEINQFIWVTFQV-WJDWOHSUSA-N	287.366	4.254	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(-c3ccco3)s2)cc1	749192189	AOUWJKOVFPNFGS-UHFFFAOYSA-N	298.367	4.073	50	20	CIGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cc2ccccc2o1	749822973	FVKAPLVEYDMMTK-ZDUSSCGKSA-N	296.370	4.119	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)C[C@H](C)c1ccccc1	799759253	KWSRNAJXHJSESX-HNNXBMFYSA-N	296.414	4.194	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1ccccc1	799888102	AHAJUOOQEFVLCY-YBEGLDIGSA-N	281.742	4.215	50	20	CIGD	
CCc1cnccc1C(=O)/C=C\c1cccc(CCl)c1	799892550	PGMMVLHYECEBHF-SREVYHEPSA-N	285.774	4.279	50	20	CIGD	
C=C(C)C(C)(C)C(=O)NNc1cc(Cl)ccc1Cl	819410530	JDCXVZQFZFAKLV-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)c1ccc(C)s1	105570668	NYEGJMDOCQCFDH-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
Clc1ccsc1CC1(CBr)CC1	306160293	LZUWLUPMRWCBOW-UHFFFAOYSA-N	265.603	4.119	50	20	CIGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccccc2F)cc1	748057402	TXGCDHWNRGFOSA-LBPRGKRZSA-N	286.350	4.096	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1cc2ccccc2s1	758415942	MUKDJEANCXBGGR-JLHYYAGUSA-N	285.368	4.152	50	20	CIGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1c[nH]c2ccccc12	779757795	KGWRTDJDQXYVIX-ZDUSSCGKSA-N	299.418	4.346	50	20	CIGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccccc3)s2)o1	782017375	WDMAVCLUEDYMNL-UHFFFAOYSA-N	298.367	4.073	50	20	CIGD	
C=C(CBr)CN1CCCCC[C@H]1c1ccco1	791461441	UZBXLYBSQZDIKN-ZDUSSCGKSA-N	298.224	4.148	50	20	CIGD	
CCc1ccc2occ(C(=O)NNc3cccc(C)c3)c2c1	806399302	KCJQKLFKOVFMIS-UHFFFAOYSA-N	294.354	4.061	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1	44028343	HRZVJLSVIWEDKI-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)CC(C)(C)C)c1	116609298	JKCIKWGIDVUJJG-JYRVWZFOSA-N	259.324	4.046	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)Nc1ccccc1	490701231	WPMRIVMWXSMUBA-GXDHUFHOSA-N	298.292	4.170	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1ccc(CC)cc1	748243641	CILNNEPXKYZWJK-ZDUSSCGKSA-N	274.408	4.181	50	20	CIGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1cc(C)cc(C)c1	748380255	MVPJVFLKGMAOGZ-KRWDZBQOSA-N	296.414	4.015	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)/C=C/c2ccccc2)cc1	781040561	FHMTWMXYERXMFZ-NTEUORMPSA-N	294.398	4.141	50	20	CIGD	
Cc1ccc(C)c(NC(=O)[C@@H](Br)C(C)(C)C)c1	781063435	LSXWMRSYLSGZES-GFCCVEGCSA-N	298.224	4.052	50	20	CIGD	
CCCN(N=Cc1ccc(C)c(F)c1)C(=O)OC(C)(C)C	794992499	BMQGYNCUGRPSHM-UHFFFAOYSA-N	294.370	4.115	50	20	CIGD	
CCCN(N=C1CC[C@@H](C)[C@@H](C)C1)C(=O)OC(C)(C)C	794998516	QHBJOTIAUZRCKN-OLZOCXBDSA-N	282.428	4.446	50	20	CIGD	
CCC1(C(=O)NNc2c(C)cccc2C(C)C)CCC1	812768108	FTUHRXDCUZDOCX-UHFFFAOYSA-N	274.408	4.142	50	20	CIGD	
CC(CCC(C)C)=NNC(=O)c1cc(C)nc2ccccc12	915922638	XHZHKXIGQKAHDG-UHFFFAOYSA-N	297.402	4.085	50	20	CIGD	
CN(C)c1ccc2cc(/C=C/C=C/C=C(C#N)C#N)ccc2c1	2113929677	OJLTZEGSNHXDKE-GGWOSOGESA-N	299.377	4.449	50	20	CIGD	
Cc1cccc(C)c1NC(=O)[C@@H](Br)C(C)(C)C	6318193	BPNFTRSIYAIBJZ-GFCCVEGCSA-N	298.224	4.052	50	20	CIGD	
CC[C@H](C)O[C@@]1(CBr)CCC[C@H](C)C1	50503477	OIBUDGGIHNMSTR-SRVKXCTJSA-N	263.219	4.145	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc(C)c(C)s2)c1	125425958	LBLJOEDLCCPFTB-QPEQYQDCSA-N	272.348	4.272	50	20	CIGD	
C[C@H](CBr)CN[C@@H](C)c1ccc(Cl)cc1	186378836	QKIMHUYDUAEOCG-ZJUUUORDSA-N	290.632	4.022	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1ccccc1	755571177	XCTUYMASRJATHZ-LFIBNONCSA-N	261.324	4.093	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	768472156	HETWMQCHXJKRMZ-DZBQEORWSA-N	290.366	4.271	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)C1CCCCC1	799892001	KVZGETYRAGVYJG-MHWRWJLKSA-N	287.790	4.482	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(C)cs2)c1	49391240	SZCCLQZXGZRXFP-AUWJEWJLSA-N	254.358	4.133	50	20	CIGD	
CCCCO[C@@H](CBr)c1ccccc1F	50479822	VSSCDNVTIPSSHQ-LBPRGKRZSA-N	275.161	4.078	50	20	CIGD	
Cc1ccc([C@H](CBr)OCC(C)C)cc1	50480862	XXEUCDSJWPBRLW-ZDUSSCGKSA-N	271.198	4.104	50	20	CIGD	
CC(C)CCOC1(CBr)CCCCC1	50481043	YFTBZTOVEZPWSI-UHFFFAOYSA-N	263.219	4.147	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	255395602	FCJGJSMVGUXVNH-LCYFTJDESA-N	291.306	4.433	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	726119322	XPEHDYZMGXQNKI-KPKJPENVSA-N	279.742	4.391	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)o1	730259761	CJSLZESGDAXCSB-UXBLZVDNSA-N	284.315	4.401	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1C	732715859	ARKGMIMKMPIDRL-SFQUDFHCSA-N	296.414	4.002	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@H]1Cc1ccccc1	752313522	GEMSPDCODMNTHT-LTUPMRBCSA-N	292.357	4.007	50	20	CIGD	
CCc1ccc(NC(=O)NNc2cccc(Cl)c2)cc1	775373074	DFECZSKKJXNKKN-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)ccc1C	777918957	ODIOYVOPYAWBNL-ACLQVGRQSA-N	259.324	4.046	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1ccccc1F	779797431	GVOGPKCJWQBVDQ-VQHVLOKHSA-N	291.734	4.330	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794884491	IWJJDOVLOOTFGC-WQRHYEAKSA-N	298.345	4.333	50	20	CIGD	
C[C@H](CBr)CN1C[C@H](C)C[C@@H]1c1ccccc1	796618587	INFZZTUWXRQUQO-UMVBOHGHSA-N	296.252	4.101	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1cccs1	799889551	QKEKIMGIBXOUNF-SREVYHEPSA-N	262.761	4.383	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1ccccc1F	799890826	AEQZMGOSZNAEAT-NTEUORMPSA-N	299.732	4.354	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(C)C)cn2)cc1	837053487	PFDUSBWTKYEFTH-UHFFFAOYSA-N	297.402	4.085	50	20	CIGD	
COc1ccccc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	11297314	NUZNDADVWHXHQS-NTEUORMPSA-N	297.741	4.138	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	105570917	VLPTYCGGHGKOST-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
C=CC[C@H](C)C(C)=NNC(=O)Cc1cccc2ccccc12	727776976	JEWGESVHSUDTGF-AWEZNQCLSA-N	294.398	4.087	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C)c(C)c2)s1	729820691	VYTCNALYRAPRAY-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
N#C/C(=C/c1ccccc1C#N)c1ccc2ccccc2n1	755588329	PRJHVEPKKVVGEM-BOPFTXTBSA-N	281.318	4.171	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccc(F)cc1	785365702	WAQWXQGGMBCCMT-YYTPVVGHSA-N	295.313	4.037	50	20	CIGD	
CCCN(N=C(C)c1ccsc1)C(=O)OC(C)(C)C	794992540	CZMSRZZMIUMLFY-UHFFFAOYSA-N	282.409	4.119	50	20	CIGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc2ccccc12	797336222	AYLZOTMXCJOYTH-LGMDPLHJSA-N	292.382	4.053	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1C[C@H]1C1CCC1	819629689	VQZNMDFJVNYVJX-MELADBBJSA-N	299.505	4.005	50	20	CIGD	
CC(C)CCO[C@@H](CBr)c1ccc(F)cc1	50481049	SBJOGYXSTYHPTG-ZDUSSCGKSA-N	289.188	4.324	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	171019887	TZXGAHHRSCZBBD-WQLSENKSSA-N	281.277	4.228	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)cs1	195226628	VPEPVHFDONEJBS-WTKPLQERSA-N	277.732	4.093	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccccc1F	207538399	WWXCQWZGSHCVSS-XFXZXTDPSA-N	285.705	4.269	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	726120546	SXRONSDEAULXJB-YBEGLDIGSA-N	255.361	4.332	50	20	CIGD	
COc1ccc2cc(/C=C(\C#N)C(=O)CC(C)C)ccc2c1	726120650	XJANTDMOJOIOEU-LICLKQGHSA-N	293.366	4.371	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(Cl)c1F	759644177	OLHALOGQTVLSQJ-WQLSENKSSA-N	279.742	4.391	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C)c(Cl)c1	766290891	UNMKEWDMIDWYPX-BNDQCTAISA-N	261.752	4.171	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	794874758	OCDQAJAEEWQAFG-WJDWOHSUSA-N	297.398	4.388	50	20	CIGD	
C/C(N)=C(/C#N)c1nc(-c2csc3ccccc23)cs1	806553650	VAASMVCVGVUIBO-PKNBQFBNSA-N	297.408	4.238	50	20	CIGD	
C=C(C)C(C)(C)C(=O)NNc1cc(Cl)cc(Cl)c1	819512126	MPDYJOHQOQKQOX-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
Cc1cc(N(C)C)ccc1/C=C(\C#N)c1nc(C)c(C)s1	840716184	JOUJDAQNYXJZHW-OQLLNIDSSA-N	297.427	4.199	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccnc2ccccc12	905075206	SXRNCNBXWSSUQW-LKKYZFDUSA-N	278.355	4.147	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1)Nc1ccccc1Cl	915879019	STNVTBNCMZVPHJ-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
CC1(C)CCc2cc(/C=C(/C#N)c3ccccn3)ccc2O1	920241154	NCOWUMLBVOUTGW-VBKFSLOCSA-N	290.366	4.249	50	20	CIGD	
N#C/C(=C\c1cccnc1)c1nc(-c2ccccc2)cs1	7065146	NTIBSVBATHKABF-OQLLNIDSSA-N	289.363	4.269	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccsc2)c1	48837573	FYSVGWFFRDWGSF-NVNXTCNLSA-N	267.353	4.155	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1ccc(F)cc1F	740924897	DSGKRZPLSRGHSG-GFCCVEGCSA-N	298.377	4.405	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)CC(C)C)c1	773916261	WRHNWXPVHNXAHD-LFIBNONCSA-N	255.361	4.161	50	20	CIGD	
CCCCC[C@](C)(CC)C(=O)NNc1cc(Cl)ccn1	780999060	PBDXKWXZDZICOT-HNNXBMFYSA-N	297.830	4.175	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccc(Cl)nc1	915978614	JCOMVRRHCLWEKC-UHFFFAOYSA-N	295.814	4.201	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	921262224	QKXJULQCLLXATM-GDNBJRDFSA-N	273.339	4.244	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc2ccoc12	1324598205	WXJBUNDCTGPPKX-DYTQJMLRSA-N	267.328	4.345	50	20	CIGD	
Cn1c(/C(C#N)=C\c2sccc2Cl)nc2ccccc21	195224146	VGSIJEDLZFLNQW-NTMALXAHSA-N	299.786	4.352	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	212130866	NWQFRROFHLEVFR-WJDWOHSUSA-N	261.324	4.093	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2ncccc2c1	279996041	HEWUBWRGMPLYPU-PTNGSMBKSA-N	278.355	4.147	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	726428231	HVHRAAMKWRDWCP-QVIVLVACSA-N	281.277	4.228	50	20	CIGD	
CCC1(C(=O)NNc2cc(C)ccc2C)CCCCC1	764263359	FGMGEYRDEKUWNA-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CCCCOc1ccccc1NC(=O)NNc1ccccc1	769977181	XTNREPFMTBEGPT-UHFFFAOYSA-N	299.374	4.014	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)CCc2ccccc2)cc1	780803710	NHTWWBCLUTZRSE-UHFFFAOYSA-N	296.414	4.060	50	20	CIGD	
C[C@@H]1C(=NNC(=O)c2cccc3ccccc23)CCC[C@H]1C	781126996	JSTBLYKIODGOIF-KGLIPLIRSA-N	294.398	4.382	50	20	CIGD	
CC(CCCCC#N)=NNC(=O)c1ccc2ccccc2c1	841618758	HRXQQFGZPDQIHF-UHFFFAOYSA-N	293.370	4.029	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1	181158029	JXYDCTWEIGRGLH-UHFFFAOYSA-N	282.387	4.049	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	213312611	XDOPUTZKPGGTFS-ATVHPVEESA-N	261.324	4.039	50	20	CIGD	
C[C@@H]1CC[C@H](OC(C)(C)CBr)C[C@H]1C	253122255	JDORXEROAOVTCY-MXWKQRLJSA-N	263.219	4.001	50	20	CIGD	
CCC(CC)(CC)C(=O)NNc1ccc(Cl)c(F)c1	761573056	RNRIIFLYOFGJGQ-UHFFFAOYSA-N	286.778	4.139	50	20	CIGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CC12CCCC2	763613078	WJDGNPGTZJHGGN-SECBINFHSA-N	299.201	4.017	50	20	CIGD	
CCCCC[C@@H](CC)C(=O)NNc1c(F)cccc1F	775781884	YIQOKBPFXJURIS-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
ClCCCOc1ccc(CNC2CCCCC2)cc1	811471127	DXPLBQUGUBLIHS-UHFFFAOYSA-N	281.827	4.117	50	20	CIGD	
CO[C@H](C)c1cccc(NC(=O)C2CCC(Cl)CC2)c1	1347567951	KXOSXOJEPAMAJB-LKSINWNRSA-N	295.810	4.130	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1[N+](=O)[O-]	125454987	GCBYRURJARSTJN-MLPAPPSSSA-N	299.355	4.041	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	742350070	OBGLIBONSNIQSG-UKTHLTGXSA-N	277.279	4.124	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1csc2ccccc12	810202550	FXNHBTFXRWYWLO-XFXZXTDPSA-N	285.368	4.152	50	20	CIGD	
Cc1ccccc1NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1	824114445	WRMLRGGYOIHGPV-IAGOWNOFSA-N	294.398	4.022	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc3ccccc3n2C)c1	921259326	NYFYTZVWICBZAD-LFIBNONCSA-N	287.366	4.254	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccoc2C)cc1C	8238341	OMLGCDITXBYHEJ-CXUHLZMHSA-N	279.339	4.303	50	20	CIGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)c1ccccn1	66405285	QPESEAZHNRQMQJ-KPKJPENVSA-N	295.392	4.331	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C)c2)cc1	154276204	MYGQQZFWGBPZFN-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
F[C@H](CBr)Cc1cccc2ccccc12	585142148	GSDVJDHSFSFUPI-LBPRGKRZSA-N	267.141	4.115	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	727975281	RQTMBGMIXCAWOE-ONNFQVAWSA-N	281.277	4.016	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(Cl)c1	796982512	DEWYQQGZUNXCSQ-NTEUORMPSA-N	297.741	4.138	50	20	CIGD	
N#C/C(=C\c1csc2ccccc12)C(=O)c1ccoc1	798231240	XCAMBNXSZWOHFS-KPKJPENVSA-N	279.320	4.284	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	6823314	PQSKDUTZUCJVTH-DHZHZOJOSA-N	281.277	4.228	50	20	CIGD	
CC(C)c1cccc(C(C)C)c1NC=C(C#N)C#N	15240580	DHTZTGBASOIBFC-UHFFFAOYSA-N	253.349	4.276	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1C	71923668	WTGDBTRCLMXJEY-YBEGLDIGSA-N	278.311	4.276	50	20	CIGD	
Cc1cccc(NNC(=O)CCc2ccc(C(C)C)cc2)c1	195630851	LADCGUHMXNTFFW-UHFFFAOYSA-N	296.414	4.194	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	755407475	WOACSHBRUFTVBN-CAXXOGMASA-N	265.715	4.001	50	20	CIGD	
O=C(NNc1c(Cl)cccc1Cl)C1CCCCC1	763615575	HNQQUCHMCDNDIT-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCCC2	792884080	OFAOFZRFGNKHIY-MFVBVHDHSA-N	267.372	4.088	50	20	CIGD	
CC(C(=O)NNc1c(C)cccc1C(C)C)=C1CCCC1	794929622	NIWNELXYCHVJET-UHFFFAOYSA-N	286.419	4.452	50	20	CIGD	
N#C/C(=C/c1c(F)cccc1Cl)c1nc2ccccc2[nH]1	33930927	URXDMNBRDGWANO-NTMALXAHSA-N	297.720	4.420	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)c1nc2ccccc2n1C	179320350	FEHXADXWIZZBLI-RVDMUPIBSA-N	287.366	4.254	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1C	191357061	VLTBTSJJEQAFBV-MHWRWJLKSA-N	285.350	4.311	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2)c(C)c1	211391211	BCQUHLVSDQTCHL-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1ccsc1	255145767	UEQNKZPAKQSZML-ZSOIEALJSA-N	267.353	4.155	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1Cl	741469768	MTJJBWRHMFPJBA-KAQJVSAMSA-N	291.778	4.261	50	20	CIGD	
CC(CCC1CC1)=NNC(=O)c1cccc2ccccc12	768775357	CUCRDDOOCYOZBR-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)c2cc(SC)ncn2)c1	773176760	OKEKBONLWOILCZ-OQLLNIDSSA-N	295.411	4.215	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1F	790231345	QDIXLXNYIAXEBR-RIYZIHGNSA-N	289.313	4.142	50	20	CIGD	
CCCN(N=C[C@H]1CCC[C@H](C)C1)C(=O)OC(C)(C)C	794996117	QZVWEMGXKDLAIJ-KBPBESRZSA-N	282.428	4.446	50	20	CIGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)c2ccccc2Cl)C1	1342194501	GIZFZNBLIVBTPR-CHWSQXEVSA-N	292.810	4.272	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)c1nc(C)c(C)s1	125423505	OAARNPOBDLLABO-ZROIWOOFSA-N	284.384	4.223	50	20	CIGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)nc1	247951141	YLORSFJEHSUUQI-LBPRGKRZSA-N	296.461	4.043	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758018445	WEFHNPFTMZVBAT-ICLXBRQCSA-N	275.298	4.043	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)c1nc(C)c(C)s1	32130117	OAARNPOBDLLABO-NTEUORMPSA-N	284.384	4.223	50	20	CIGD	
CC1(C)CCC(O[C@H]2CCC[C@@H]2Br)CC1	163239483	WVYWGMRNZWVQKZ-RYUDHWBXSA-N	275.230	4.288	50	20	CIGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(C)c1C	171790955	HABNQLABCGRKAI-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)s1	177899399	KBWJGUCNZUTLGR-UKTHLTGXSA-N	297.379	4.163	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1	588580975	WNGCEAXFFOWNEX-GDNBJRDFSA-N	271.323	4.002	50	20	CIGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	730146796	GRAOYPBYIRWLQL-GDNBJRDFSA-N	285.387	4.244	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	733205313	RJRBELYBJKSTKJ-POHAHGRESA-N	299.267	4.367	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(CC)cc1	741469704	MISNIBMNMKZQOG-KWWJGWKXSA-N	255.361	4.161	50	20	CIGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)c1ccccc1	747032949	KXNSXMIAGZEQAX-ZROIWOOFSA-N	299.276	4.078	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cn1	764888317	WEZRFMNGGOFLTK-SDQBBNPISA-N	295.342	4.203	50	20	CIGD	
CCCC[C@@H](CC)C(=O)NNc1c(F)cccc1Cl	770196665	IVMXDZWUSRNBQQ-SNVBAGLBSA-N	286.778	4.139	50	20	CIGD	
CCCCCC[C@](C)(CC)C(=O)NNc1ccnc(F)c1	781359122	CNBWNPLSHWFZRL-INIZCTEOSA-N	295.402	4.051	50	20	CIGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)C1CCCC1	781555034	BVVPCQADNYHYJK-MDWZMJQESA-N	289.762	4.015	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)CC)cc1	794874700	NOLKRGAXEIHNMB-NTCAYCPXSA-N	285.387	4.388	50	20	CIGD	
CCCCSCC(=O)NNc1c(C)cccc1C(C)C	812768584	XIWNRIWYNBOPPU-UHFFFAOYSA-N	294.464	4.095	50	20	CIGD	
Cc1cc2cc(/C=C(\C#N)C(=O)C(C)(C)F)oc2cc1C	834447790	SCSKZYZZGSMQJS-MDWZMJQESA-N	285.318	4.274	50	20	CIGD	
COc1ccsc1/C=C(\C#N)c1nc(C2CC2)cs1	843263070	AEKMJFKENZBXOM-UXBLZVDNSA-N	288.397	4.155	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(F)cc1F	44028512	JLVDGMGNIWCZEL-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1	726119349	YCDOOIWTRSRHMA-UVTDQMKNSA-N	297.354	4.354	50	20	CIGD	
CCc1ccc([C@H](C)CC(=O)NNc2cccc(C)c2)cc1	738511548	ZQUQBUGUSZAOGU-OAHLLOKOSA-N	296.414	4.194	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1ccccc1	794863888	ACVQRSLTVVIPOP-GDNBJRDFSA-N	283.277	4.414	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(C)C)cc1	799756863	NIPMOGLDKINMFO-UHFFFAOYSA-N	296.414	4.438	50	20	CIGD	
CCOc1ccc(NC(=O)C2CCC(Cl)CC2)c(C)c1	1263710050	LFBGRYQQYZIJBJ-UHFFFAOYSA-N	295.810	4.130	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C(C)C)cc2)c1	126654511	GFUBTVZCPZLKPX-UHFFFAOYSA-N	282.387	4.184	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1F	191357586	YSZSOGFPBPHDCT-NTEUORMPSA-N	289.313	4.142	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	255294647	WLVHFWBRAPOTOJ-ZROIWOOFSA-N	282.274	4.107	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)c1ccccc1	767703235	AUFTZQRRUJLWLO-JYRVWZFOSA-N	285.705	4.269	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	794872892	AHPMFLHOFKVDHL-XFFZJAGNSA-N	279.742	4.391	50	20	CIGD	
O=C(CCCC1CC1)NNc1c(Cl)cccc1Cl	812534134	ZWTQRBLNTKYQEF-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccoc1C1CC1	812768798	GTVHYFKNJCTEOP-UHFFFAOYSA-N	298.386	4.346	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	23217993	JVZZLTWWAQAJAV-XNTDXEJSSA-N	286.334	4.266	50	20	CIGD	
CC(C)CO[C@H]1CCCCCC[C@@H]1Br	158187784	MPLHZPZFVNRANM-RYUDHWBXSA-N	263.219	4.145	50	20	CIGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1ccc2ccccc2c1	766009770	IVPKLHQNCYWETN-CYBMUJFWSA-N	294.398	4.382	50	20	CIGD	
CCC[C@@H](CBr)COCc1ccccc1	83176362	KDXGVTDBEZRZFM-ZDUSSCGKSA-N	271.198	4.014	50	20	CIGD	
Cc1cc2cc(/C=C(/C#N)C(=O)C(C)C)oc2cc1C	178549109	WSXFYEXISYZVDU-ZSOIEALJSA-N	267.328	4.182	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)c1ccccn1	178764725	GYDGFSBBZQHOTI-YRNVUSSQSA-N	292.235	4.304	50	20	CIGD	
CC(/C=C(/C#N)c1nc(C)cs1)=C\c1ccccc1	212767844	OIGHTUAMMDZEPV-VQDQISGBSA-N	266.369	4.462	50	20	CIGD	
Cc1nc(SC/C=C/C#N)n(C2CCCCC2)c1C	268577904	DCXQVNCTWWUXEI-VOTSOKGWSA-N	275.421	4.177	50	20	CIGD	
C[C@@H]1CCC[C@@H]1NC(=O)CCCC[C@H]1CCSS1	729447083	BDHKIAXRMHWIJI-AGIUHOORSA-N	287.494	4.005	50	20	CIGD	
CCC(C)(C)CC(=O)NNc1ccc(C(C)(C)C)cc1	780806343	LNXGQZLZZOMIIU-UHFFFAOYSA-N	276.424	4.254	50	20	CIGD	
COc1ccc2oc(/C=C(/C#N)C(=O)C3CCCC3)cc2c1	781553108	KEKAMDSYDOXYBQ-UVTDQMKNSA-N	295.338	4.108	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2scnc2C2CC2)sc1C	782342238	PQOZRBFTOXMVKD-VZUCSPMQSA-N	287.413	4.158	50	20	CIGD	
Cc1cccc([C@@H](C)OC(=O)/C(C#N)=C/c2ccccc2)c1	785361892	KJHXJMIVLZYEGB-GYZOOYGHSA-N	291.350	4.206	50	20	CIGD	
FC(F)(F)c1ccc2[nH]cc(CBr)c2c1	97758295	NLKQZCASZFPYNR-UHFFFAOYSA-N	278.071	4.082	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC	726119458	ZCJMCKVLBMNZLV-JYRVWZFOSA-N	291.778	4.261	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)/C=C\Sc2ccccc2)c1	728057384	DTXNYOUOWQMSSF-KHPPLWFESA-N	298.411	4.053	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)s1	731156874	OCVTUFJMPFHJQM-LUAWRHEFSA-N	285.343	4.239	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1cc(C)nc2ccccc12	732924102	NRFWUUZZTAKEQK-UHFFFAOYSA-N	297.402	4.229	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)C2CCCCC2)c1	767713558	KMOANJHWSNXFGB-GDNBJRDFSA-N	271.335	4.191	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2F)cc1C	809146797	UZIXZGYBHDLMPV-MHWRWJLKSA-N	279.314	4.232	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	98125323	XDRGBBPCFUZJLC-RVDMUPIBSA-N	283.371	4.140	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2)c1	212138034	YXBQHZZIPMCWNZ-ZSOIEALJSA-N	297.741	4.138	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(F)c(F)c2)c1C	727654783	KTMURIMJFYJZTB-ZSOIEALJSA-N	297.304	4.372	50	20	CIGD	
C[C@@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)C[C@@H](C)C1	747764145	MTLGTPVBLRAKJB-UWVGGRQHSA-N	296.773	4.021	50	20	CIGD	
CCCC1(C(=O)NNc2c(Cl)cccc2Cl)CC1	763616730	YMWZZFZORXWNFR-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1ccccc1	790100447	CAYAIPLHIARUPK-XYOKQWHBSA-N	273.744	4.191	50	20	CIGD	
CCCN(N=C1CC[C@H](C)[C@@H](C)C1)C(=O)OC(C)(C)C	794998518	QHBJOTIAUZRCKN-STQMWFEESA-N	282.428	4.446	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	917517800	SQTPBBKMPMIYNR-VZUCSPMQSA-N	298.169	4.244	50	20	CIGD	
CC1(C)CCc2cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc2O1	920241956	WIISCAHAPJJOKQ-RVDMUPIBSA-N	297.398	4.312	50	20	CIGD	
Cc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)o1	5618448	AUEYZLNXJXQUTQ-UHFFFAOYSA-N	296.370	4.032	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	19910636	JFCNQTLEYXARGV-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
CC[C@H](CBr)c1cccc(Br)c1	86368141	AIKCQZCQPCOPHQ-MRVPVSSYSA-N	292.014	4.338	50	20	CIGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1ccccn1	193581146	FUEKKHAHYNEQHH-NTCAYCPXSA-N	272.307	4.406	50	20	CIGD	
CCCC[C@](F)(CBr)c1ccccc1	396140615	AYVUUZCHTGUWEM-LBPRGKRZSA-N	259.162	4.437	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2cccc(OC)c2o1	741470005	OOVBUXIMNPONFJ-LQELWAHVSA-N	297.354	4.354	50	20	CIGD	
CCCCCOc1ccc(/C=C(\C#N)c2ccncn2)cc1	758916893	SSEOXYDDDCPSOQ-FOWTUZBSSA-N	293.370	4.110	50	20	CIGD	
CCCCC[C@](C)(CC)C(=O)NNc1cccnc1Cl	781943911	CFSQCNYBBDCOEG-HNNXBMFYSA-N	297.830	4.175	50	20	CIGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)C(C)C)cs2)cc1	60421893	MAUWEPMHZFXDFE-RIYZIHGNSA-N	296.395	4.251	50	20	CIGD	
C[C@@H](CBr)Cc1sccc1Br	85052038	KGTQLNXXPNXRQD-ZCFIWIBFSA-N	298.043	4.084	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccccc2Cl)cc1Cl	158273708	BGYFDZASETYEQC-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCCCCC[C@@H](C)CC(=O)NNc1ncccc1Cl	734247634	UIFLLMQDBREFQP-GFCCVEGCSA-N	297.830	4.175	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)C[C@@H](C)c2ccccc2C)c1	748426576	BTPRGWVRGOUUQL-MRXNPFEDSA-N	296.414	4.249	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	783707843	SOWCSYSIQWOQRY-KPENOIPVSA-N	278.355	4.065	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(F)c1F)C(=O)C1CCCCC1	853003719	OYFPFSMVSKVZCX-XYOKQWHBSA-N	293.288	4.160	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1cc(C)cs1	863156038	IYGAIXLAXKGOHL-UHFFFAOYSA-N	266.410	4.133	50	20	CIGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	58157778	KDCWAKFIBHUKDR-DHDCSXOGSA-N	297.379	4.325	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3ccccc3F)[nH]c12	735618962	HVUQCIUODMTGIC-UKTHLTGXSA-N	277.302	4.075	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)[C@@H](C)CCC)c1	741469386	LABCWZOSAHXYSN-LUYJPIOASA-N	285.387	4.388	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cc3cccc(C)c3o2)c1	748415942	FATPGSYXTOSCNW-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
C/C=C(/C=C\C(=O)NNc1ccc(C(F)(F)F)cc1)CC	748506812	GCLNMWMIKJASIJ-JPHPOWELSA-N	298.308	4.061	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(Cl)c(C)c2)cc1	764885633	LPOGWDFZNSASDO-NVNXTCNLSA-N	296.757	4.142	50	20	CIGD	
CCCN(N=Cc1ccc(C)s1)C(=O)OC(C)(C)C	794998448	MMYNDHJOQGNPMF-UHFFFAOYSA-N	282.409	4.038	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1	918712745	BGILLMYJDUUYLB-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1F	16883044	YMKPUCWTODVSIZ-SDNWHVSQSA-N	295.313	4.014	50	20	CIGD	
CC(C)CO[C@@]1(CBr)CCC[C@H](C)C1	50503535	LFZYHZFOCMQEFJ-RYUDHWBXSA-N	263.219	4.003	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	128794958	XOKRAPIIAQYAII-VZUCSPMQSA-N	281.277	4.016	50	20	CIGD	
CCCCCCCC(=O)NNc1cccc2cnccc12	178523126	KXCQJZCXDQFECH-UHFFFAOYSA-N	285.391	4.038	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1cccc(F)c1	194530668	SPYKUUWGSCWKHZ-UVTDQMKNSA-N	291.281	4.362	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CCC[C@@H]1Cc1ccccc1	735613856	JQMPKJNFZGVAJR-QGZVFWFLSA-N	298.430	4.082	50	20	CIGD	
Cc1ccc(NC(=O)NNc2cccc3c2CCCC3)cc1	747823488	KOXQWYBILYVEAG-UHFFFAOYSA-N	295.386	4.022	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(C)o1	767887789	YDDNELJOVNSQOD-RIYZIHGNSA-N	277.327	4.145	50	20	CIGD	
O=C(NNc1ccccc1)Nc1cccc(Cl)c1Cl	769922376	BFTZTMIBWPOERR-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
CCc1ccc(NC(=O)NNc2ccc(Cl)cc2)cc1	775372865	ABQZZPUMDYGGHC-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)ccc1C	777872217	ONCDISIHCXFDFP-RIYZIHGNSA-N	259.324	4.046	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1	807943958	OQYURLDJVXRKRW-LLVKDONJSA-N	280.799	4.272	50	20	CIGD	
Cc1cccc(C)c1Oc1ccccc1NC(=O)CCl	1341509884	QDYUMOYGQOAYSL-UHFFFAOYSA-N	289.762	4.273	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(F)c2F)s1	107417721	TWFQWOHWAPISQW-XFFZJAGNSA-N	289.306	4.125	50	20	CIGD	
CC(C)c1ccc(/C=C(/C#N)c2ccccn2)cc1[N+](=O)[O-]	205665321	GSVCADNUOBNYLT-ZROIWOOFSA-N	293.326	4.177	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@H](c2cccc(F)c2)C1	750796082	NTZFWGKRWOIVAE-IFQVXRHPSA-N	292.357	4.180	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758018454	WEFHNPFTMZVBAT-QENXGIAESA-N	275.298	4.043	50	20	CIGD	
C=CCCCCCC(C)=NNC(=O)c1c[nH]c2ccccc12	788952401	XZRDDDYPCSZALA-UHFFFAOYSA-N	297.402	4.410	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccccc1OC(F)F	794874661	MXEUJMDGFFGZII-XFXZXTDPSA-N	293.313	4.200	50	20	CIGD	
Cc1ccc(NCc2ccc(OCCCCl)cc2)nc1	811475370	KMLGBQCDRPTDLZ-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)c1nc2ccccc2n1C	33573658	TZMFCIQBIIOMGB-XFXZXTDPSA-N	279.368	4.007	50	20	CIGD	
CC1(NC(=O)CCCC[C@H]2CCSS2)CCCC1	139371197	GMHDPFYOQBEQLZ-LBPRGKRZSA-N	287.494	4.149	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1Cl	255166268	UVKBSHSXGBCLGK-WZUFQYTHSA-N	290.775	4.178	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCC2CCCC2)cc1	726353883	VFBUUELGJRLNFX-ATVHPVEESA-N	283.371	4.026	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C)c(F)c1	741469963	NPGBDERQBDKION-ZBQKXELDSA-N	259.324	4.046	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)cc(C)c1	741475219	WITGYBQSANXUTJ-DWKHYPNZSA-N	255.361	4.216	50	20	CIGD	
CCCN(N=C1CC[C@@H](C)C[C@H]1C)C(=O)OC(C)(C)C	794997286	WUBQFUPUVHUNLO-CHWSQXEVSA-N	282.428	4.446	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1ccccc1Cl	1339890916	KKLKQYUWNQHZLX-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	101799928	XWULWIDLLHKDID-VYPLWORKSA-N	298.342	4.063	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	255270057	NTPLSFCBQSUQOJ-GHRIWEEISA-N	296.414	4.199	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(OC(F)(F)F)cc1	255759054	IPNUESRDJIVDPP-XYOKQWHBSA-N	297.276	4.107	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@@H]2C)o1	726183964	OHQHDCGSPXDNKD-VKABWTOWSA-N	271.360	4.315	50	20	CIGD	
CC[C@H](CC(=O)NNc1c(C)cc(C)cc1C)C(C)C	743763767	SDEPMESQTQSRCH-OAHLLOKOSA-N	276.424	4.127	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(Cl)nc2)n1	749006607	YXCVPSJUBRKHDD-WZUFQYTHSA-N	289.791	4.379	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776722798	WXJRQSSMPUXQGA-NYYWCZLTSA-N	289.693	4.170	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc3ccccc3c2)[C@H](C)C1	783832507	KEHSKJQDDPAXNI-UONOGXRCSA-N	294.398	4.382	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccc(F)cc1	785365701	WAQWXQGGMBCCMT-XDUBLRSXSA-N	295.313	4.037	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(F)c(Cl)c2)n1	179176176	IKPLKITZYAGRIZ-WMZJFQQLSA-N	278.739	4.308	50	20	CIGD	
N#CC(C#N)=CNc1cccc(CCCc2ccccc2)c1	726765004	RKMJHYALCISIBW-UHFFFAOYSA-N	287.366	4.205	50	20	CIGD	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	915991998	QZPIOOHMFORRNG-LFIBNONCSA-N	285.387	4.244	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(F)c2)cc1	154283892	DMHATVHHPZSYKA-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CC2(CCCC2)C1	372368776	SENPRNGFJCCXFY-CYBMUJFWSA-N	299.505	4.103	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1coc2ccccc12	746519873	HRJGQRVWJWJRJA-WQLSENKSSA-N	267.328	4.345	50	20	CIGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cc2ccccc2o1	769587141	YFHPEXSEIYXXJJ-QWHCGFSZSA-N	298.386	4.365	50	20	CIGD	
CCCN(N=C(C)c1ccc(CC)o1)C(=O)OC(C)(C)C	794996024	OHCSHTNWYGYEPE-UHFFFAOYSA-N	294.395	4.213	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)CC(C)C	179371010	RECZQDCDSOBELM-UKTHLTGXSA-N	267.328	4.263	50	20	CIGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(C)cc1	749200632	PLYCPKMYRTUHRV-OAHLLOKOSA-N	274.408	4.045	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C)c(Cl)c1	766290892	UNMKEWDMIDWYPX-JLATVTFTSA-N	261.752	4.171	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc2ccccc2c1	786676860	DAQQYGZPYNKAGA-CCOVPTLTSA-N	291.350	4.304	50	20	CIGD	
C[C@@H]1CC[C@@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	800812117	VQTRGRCUQZKCMF-NXEZZACHSA-N	299.201	4.145	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1Cl)C1CC2(CCC2)C1	843832860	YFKWTGMRXWPNMN-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	212134732	DNHFVGOWPMRTDP-YBEGLDIGSA-N	291.350	4.107	50	20	CIGD	
ClCC1(Cc2ccsc2Br)CC1	306970832	JNAAEZMBPWUKQG-UHFFFAOYSA-N	265.603	4.072	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747692176	ZXBXFBDOEUQQLL-VBKFSLOCSA-N	290.366	4.271	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1F)c1nc2ccccc2[nH]1	759644243	PTLHIPPGMUMHNM-DHZHZOJOSA-N	297.720	4.420	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc[nH]c1C(C)C	794953361	NMKRACOXLORPRU-UHFFFAOYSA-N	299.418	4.327	50	20	CIGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1	798230277	ODMYXAPNGFVKRP-SXGWCWSVSA-N	265.312	4.193	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1coc2ccccc12	799757385	UILDXBRUVIUXLI-UHFFFAOYSA-N	294.354	4.061	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccc3c2OCC3)n1	899343888	GKQVNVJIXWESFZ-ZSOIEALJSA-N	296.395	4.266	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)c(C)c1	899345902	XSWYRGOIQAYTFO-ZSOIEALJSA-N	296.395	4.402	50	20	CIGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)s1	920485506	HMORCTTXSZVSTJ-GXDHUFHOSA-N	297.379	4.194	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)C(C)(C)C)cc1C	7156053	FHIWXDRCCAQHID-OQLLNIDSSA-N	255.361	4.134	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	7157825	NSQARXRWSVZSNT-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	116726153	DFEAUHMFQHNGRN-UHFFFAOYSA-N	261.215	4.302	50	20	CIGD	
CCC[C@H](CC)NC(=O)CCCC[C@@H]1CCSS1	195149807	WFRHHMCAZXKJFQ-QWHCGFSZSA-N	289.510	4.395	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cc(Cl)ccc2F)n1	255570297	RITJFQJPDRLICF-WMZJFQQLSA-N	278.739	4.308	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)C)c(C)n1CC(C)C	726182974	CYOCVQMUXKUZDK-RQZCQDPDSA-N	286.419	4.283	50	20	CIGD	
Cc1ccc([C@@H]2CCCN2C[C@H](C)CBr)cc1	770645766	STSAZXJJDJPUDP-HIFRSBDPSA-N	296.252	4.163	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1	794875546	XFLUHVAQXXDZEL-WQLSENKSSA-N	291.778	4.261	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1ccccc1	834675590	IJORGHCOYBCYIZ-FLIBITNWSA-N	273.744	4.191	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	918186252	XMSLZVCRIBLZLN-SDNWHVSQSA-N	298.773	4.341	50	20	CIGD	
N#C/C(=C\c1ccccc1)C(=O)c1cccc(Cl)c1	25889123	IZNZLIPVSOWFMS-NTEUORMPSA-N	267.715	4.130	50	20	CIGD	
Cc1cscc1C(=O)NNc1ccc(C(C)(C)C)cc1	181131350	QNBBTDSYXJWJDC-UHFFFAOYSA-N	288.416	4.111	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1cccc(F)c1	194534912	PZXXFLJUMQOJJH-MDWZMJQESA-N	291.281	4.362	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@H]1c1ccccc1	747619560	NTICMMSALWQGLT-WAFWZSCLSA-N	278.330	4.137	50	20	CIGD	
CC(C)c1ccc(NC(=O)NNc2ccccc2F)cc1	769922538	FADPXUCHXFPKER-UHFFFAOYSA-N	287.338	4.098	50	20	CIGD	
CC(C)(C)CCCCC(=O)NNc1cccc2cnccc12	804468286	ORYHIMDEUDPMDV-UHFFFAOYSA-N	299.418	4.284	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1	179132445	RABSBHOOEJYSPV-UVTDQMKNSA-N	297.354	4.354	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1Cl)C12CCC(CC1)C2	752627413	YPFAYWGUNCFHFE-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772797922	REQCANZJXWKXMI-BUBXLPKJSA-N	299.267	4.367	50	20	CIGD	
O=C(NNc1ccccc1C(F)(F)F)C1=CCCCCC1	775776968	KTKHBAUTAJXCAJ-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CC[C@@H]1CCC[C@@H](C=NN(C)C(=O)OC(C)(C)C)C1	783831030	GXAQYOXZISYWKW-CHWSQXEVSA-N	268.401	4.056	50	20	CIGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)CC(C)C	834927609	DUXBAGRDSKVDNZ-UHFFFAOYSA-N	294.398	4.158	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)c1ccccn1	158626933	ZDTIEGOZFUQGDX-XFFZJAGNSA-N	292.235	4.304	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1	211536179	AYZIEUPZJCKJRR-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
CC1(C)CCCCC1=NNC(=O)c1cc2ccccc2o1	757584503	ONEJSOHWZVFXND-UHFFFAOYSA-N	284.359	4.119	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccsc2Cl)n1	790099157	HGWYEVFHNQNFIH-RUDMXATFSA-N	266.778	4.231	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cccc(Cl)c1	807949284	GWKVPZCAIKCZCH-NSHDSACASA-N	280.799	4.272	50	20	CIGD	
N#C/C(=C\c1nc(Cl)cs1)c1nc(C2CC2)cs1	843271360	BNTTYROWTMBEAW-FPYGCLRLSA-N	293.804	4.195	50	20	CIGD	
CC(C)=CCC[C@@H](C)CC(=O)N(C)CC(Cl)Cl	848084743	GLIKMDQPTVQZDH-LLVKDONJSA-N	280.239	4.021	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccccc2)c1	921261629	IZJNXBHCJAFWQC-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
Clc1cccc(CO[C@@H]2CCC[C@H]2Br)c1	83473518	CFZGIOYPMDTEOL-VXGBXAGGSA-N	289.600	4.173	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2cc(F)cc(F)c2)sc1C	121254618	KKZRLLWOZKFBTG-QDEBKDIKSA-N	276.311	4.102	50	20	CIGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)c1ccccn1	128673293	BXHFFJBBFYIZJQ-LCYFTJDESA-N	281.384	4.260	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc2ccccc2c1	726428752	PJFIIHFRSGUKAS-MFVBVHDHSA-N	263.340	4.362	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735618769	FVNKEDQTDXAFIO-XYOKQWHBSA-N	279.368	4.305	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)c1ccccc1	767340820	IGKMJTLVMQOWIP-GDNBJRDFSA-N	281.742	4.438	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)c(C)c1	767712741	FXRJZGWFTBOMOX-GZTJUZNOSA-N	267.372	4.360	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)c1ccc([N+](=O)[O-])cc1	799888469	HEFVPCMLTOAFDM-DHDCSXOGSA-N	298.729	4.398	50	20	CIGD	
C=CCC(C)(C)C(=O)NNc1ccc(Cl)cc1Cl	815850638	VRBRMCNDCSEPQC-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1ccco1	8200379	ZPGAZBWKADMHPZ-JXMROGBWSA-N	292.121	4.376	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(Cl)cc1	48639756	DBRWCDVNYZMMNI-WQLSENKSSA-N	287.771	4.500	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C3CCC3)cc2)c1	189670981	FZRUIQRLOMMUQA-UHFFFAOYSA-N	294.398	4.328	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1coc2ccccc12	299737967	ZCGBGSKREANXIN-WQLSENKSSA-N	277.279	4.124	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1	726876017	CHECZZFNTJSSQK-LCYFTJDESA-N	296.395	4.332	50	20	CIGD	
CCCCCC[C@](C)(CC)C(=O)N1CC=C(C#N)CC1	760003750	OXBRQHZYNUDBRO-KRWDZBQOSA-N	276.424	4.055	50	20	CIGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1C	773140543	SNBNSKJHYKEABJ-VGOFMYFVSA-N	284.384	4.141	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2cnccc2c1	782343537	WSCXVAMCEYGTFY-VZWMTCDZSA-N	278.355	4.147	50	20	CIGD	
CC[C@@H]1CCC[C@H](C=NN(C)C(=O)OC(C)(C)C)C1	783831031	GXAQYOXZISYWKW-OLZOCXBDSA-N	268.401	4.056	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)cc(C)c1	794873109	BGLHZFLJYMPASY-XNTDXEJSSA-N	255.361	4.216	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(CCl)c1	799891231	BEEGNRGYRLWUTM-KMHUVPDISA-N	275.779	4.338	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)NN=C/C=C\c2ccco2)cc1	920365187	LCPUQEMOMDIVMM-HXNRNBTNSA-N	296.370	4.006	50	20	CIGD	
N#C/C(=C\c1ccsc1)c1ccc2ccccc2n1	43240471	LHTOPAXAHDAELA-NTEUORMPSA-N	262.337	4.360	50	20	CIGD	
CCC[C@H](CBr)COCc1ccccc1	83176360	KDXGVTDBEZRZFM-CYBMUJFWSA-N	271.198	4.014	50	20	CIGD	
Cc1ccc(CC(C)(C)CBr)cc1C	85050262	IAZBQTWXAAFAGG-UHFFFAOYSA-N	255.199	4.267	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)ccc1F	103717574	PSRRFGXVWLMGRJ-JYRVWZFOSA-N	259.324	4.046	50	20	CIGD	
CCN(CCc1cccs1)/C(=C\C#N)c1ccccc1	764214866	GNJJGNIMARFWEM-YVLHZVERSA-N	282.412	4.177	50	20	CIGD	
C=CCC(C)(C)C(=O)NNc1c(C)cccc1C(C)C	816782071	IPCUXKXDOAQWMC-UHFFFAOYSA-N	274.408	4.164	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	67005875	KBRNTWDKMQHEJW-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)c1ccccn1	193581194	YCPIUWPZJCDRPQ-FOWTUZBSSA-N	290.366	4.467	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCn1cnc2ccccc21	196276845	IWCRMJULNXBZMD-UHFFFAOYSA-N	276.456	4.058	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	267476231	RZVMBMASJNUITM-NCPSJORJSA-N	294.354	4.172	50	20	CIGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)C1CCCC1	733076289	KCHYDYCFKWPECG-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
C[C@@H](CBr)CN1CCCC[C@@H]1c1ccccc1	770669574	ZQKQADQEHGOMJK-DZGCQCFKSA-N	296.252	4.245	50	20	CIGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781555823	PULJGBPPPIQGOE-BOPFTXTBSA-N	297.398	4.388	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccccc2C)c1	212131499	FVCSDSDSVSENJQ-BOPFTXTBSA-N	275.351	4.402	50	20	CIGD	
CC(C)Cn1cc(CCl)c(-c2cccs2)n1	409436807	AUJJAVHHIJTMFE-UHFFFAOYSA-N	254.786	4.006	50	20	CIGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)c1ccsc1	741843644	LUMBLCPENJVLAB-KPKJPENVSA-N	297.310	4.423	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	767728396	GANBYKQDHLQJNU-QVIVLVACSA-N	279.742	4.391	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)C1CCCC1	781553885	YWTWVBQLFMKLOG-YFHOEESVSA-N	265.765	4.068	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc(Cl)cc2F)[C@H](C)C1	783848345	FYMGVMDBZMEVKH-VHSXEESVSA-N	296.773	4.021	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)C1CCCC1	799893348	XPOBLGYRJAPGJS-DHDCSXOGSA-N	273.763	4.092	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C#N)cs2)cc1C	809146144	MMJLIRPGOMVWFF-CHHVJCJISA-N	292.363	4.027	50	20	CIGD	
C/C(=C\c1ccc(OCCCCl)cc1)c1cnccn1	811692516	AWTQHGULXDXNHV-ACCUITESSA-N	288.778	4.045	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1ccc(CC)cc1	814745155	KQFVMPDJUSGRNI-UHFFFAOYSA-N	272.392	4.101	50	20	CIGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)sc1C	837055308	DIBVFUGAPIJVFH-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
CC(C)(C)Oc1cccc(/C=C(\C#N)C(=O)C(C)(C)F)c1	864365921	GNTOUTXKOHPNHU-UKTHLTGXSA-N	289.350	4.088	50	20	CIGD	
Br[C@@H]1CCCCC[C@@H]1OCC1CCCC1	203590478	DPCMIAIWBVHLMP-OLZOCXBDSA-N	275.230	4.289	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccsc2)n1	255723352	IVMIHUFZNKRUFY-VZUCSPMQSA-N	260.387	4.392	50	20	CIGD	
Cc1ccoc1/C=C(/C#N)c1nc2cc(F)ccc2s1	742348874	DRJQAGUBXYTWTQ-POHAHGRESA-N	284.315	4.401	50	20	CIGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(C)c1	743301355	CXQHTERTYLQZRU-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)OC1CCCCC1	746520095	JUQLIYVRTRTMQM-JLHYYAGUSA-N	295.338	4.216	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1ccccc1	755571180	XCTUYMASRJATHZ-WJDWOHSUSA-N	261.324	4.093	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)C2CCCCC2)c1C	767715011	SCOPOYGTGOHOHG-GZTJUZNOSA-N	267.372	4.360	50	20	CIGD	
CC[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc(Cl)cc1	786676673	AKZVWURJALJESG-UZGISAJGSA-N	289.762	4.194	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1csc(Cl)c1	799756910	NZSFQFGNBHWQFP-UHFFFAOYSA-N	294.807	4.029	50	20	CIGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2)cc1	6956924	BHWGHFMDDIBSOP-SFQUDFHCSA-N	290.366	4.103	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	34889090	QIDYGONAHICVKX-QINSGFPZSA-N	295.338	4.197	50	20	CIGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CC12CCCC2	763613079	WJDGNPGTZJHGGN-VIFPVBQESA-N	299.201	4.017	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	782201122	POUCGXNCIZSXRF-QVIVLVACSA-N	279.742	4.391	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)C1CCCC1	794874878	KMBYBVZBEINQRX-NTEUORMPSA-N	275.298	4.290	50	20	CIGD	
O=C(NN=C1CCC[C@@H]1CCF)c1ccc2ccccc2c1	794897250	RHCSFFFFLUZEJC-CQSZACIVSA-N	298.361	4.085	50	20	CIGD	
CC(C)C1(NC(=O)CCCC[C@H]2CCSS2)CC1	818355795	SEHHXLBATZTHGD-LBPRGKRZSA-N	287.494	4.005	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc2ccoc12	1324598207	WXJBUNDCTGPPKX-JXCQQFQQSA-N	267.328	4.345	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C)cs2)c(C)c1	211690030	BFIPSFKPCJRNTB-AUWJEWJLSA-N	254.358	4.133	50	20	CIGD	
ClCc1c(-c2ccco2)n[nH]c1C1CCCC1	409440638	NQTLVRXZCQZNIC-UHFFFAOYSA-N	250.729	4.066	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1	741474779	RLACQCWMGOOKPP-KWJWQAOWSA-N	261.752	4.252	50	20	CIGD	
CC(C)C1CCC(C=NN(C)C(=O)OC(C)(C)C)CC1	794900664	ATVFUZWSIPXUNX-UHFFFAOYSA-N	282.428	4.302	50	20	CIGD	
O=C(NN=C1CCCC[C@H]1C1=CCCCC1)c1ccccc1	814686205	WREKPJYHHFLKTO-KRWDZBQOSA-N	296.414	4.463	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1sccc1C	48361667	KNOJUHRPDYZQQM-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
Cc1cc(/C(C#N)=C/c2ccccc2F)ccc1[N+](=O)[O-]	91541179	MSYYDKRMJKDZOL-NTEUORMPSA-N	282.274	4.107	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccccc2C#N)n1	179329652	HZOKSNACDSNPIO-AUWJEWJLSA-N	279.368	4.202	50	20	CIGD	
CCC[C@H](C(=O)NNc1ccccc1C)c1ccccc1	192732432	OWCVOFCBOFCAAG-INIZCTEOSA-N	282.387	4.022	50	20	CIGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cccc(Cl)c1	737420897	NEOWUWZTLLQUTB-GFCCVEGCSA-N	290.794	4.026	50	20	CIGD	
CCCC(CCC)=NNC(=O)c1ccc(Cl)cc1F	747644013	VIZOCLORNKNFGJ-UHFFFAOYSA-N	284.762	4.165	50	20	CIGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(C)cc1	749200583	NZVGBGNKNPJWEX-AWEZNQCLSA-N	262.397	4.045	50	20	CIGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)c1nc(C2CC2)cs1	843274307	VXRAWKMVQRABCG-IZZDOVSWSA-N	298.415	4.105	50	20	CIGD	
C[C@@H](Oc1ccccc1NC(=O)CCl)c1ccccc1	1320466282	VZPBNFHCEUGCDT-GFCCVEGCSA-N	289.762	4.004	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1	191354017	MHHMNQUDSZQIPW-LFIBNONCSA-N	285.350	4.256	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)C1CCCC1	781555016	BODGNGFCVPKMCU-UKTHLTGXSA-N	259.736	4.006	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	794955125	UYFRSWUYMYIRGW-LFIBNONCSA-N	292.382	4.456	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812245269	PMYRCJXGEFWZCZ-AYMWWVTDSA-N	291.310	4.000	50	20	CIGD	
C[C@H]1CSC(SCCO[Si](C)(C)C(C)(C)C)=N1	840202515	CJPAEDPNLKYYJG-JTQLQIEISA-N	291.558	4.233	50	20	CIGD	
CC[C@H](C)N(CC)C(=O)CCCC[C@@H]1CCSS1	855149019	RLBLVPBGKOOTGS-QWHCGFSZSA-N	289.510	4.348	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1ccccc1C	1115939674	XRONASSMVJPAPF-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
F[C@@H]1CCC[C@H](NCc2ccc(OCCCCl)cc2)C1	1332453284	VSGDCJVWWYZZCC-CABCVRRESA-N	299.817	4.065	50	20	CIGD	
CC[C@@H](C)O[C@H](CBr)c1cccc(C)c1	50480101	SFVXFAIIGWZSLS-DGCLKSJQSA-N	271.198	4.246	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc(OC(F)F)c2)n1	79321049	GZJOVJUQOCQKHT-WZUFQYTHSA-N	292.310	4.117	50	20	CIGD	
Cc1cc(Cl)cc(C(=O)NNc2cccc(Cl)c2)c1	127287655	RJHDFYSWECYKJY-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)c1cnc2ccccc2n1	588580601	LGZMTAORFTXNSF-GDNBJRDFSA-N	285.350	4.311	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(C)cccc2C)c1	755573232	SKDHUSSCUIRWFF-LFIBNONCSA-N	290.366	4.158	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(C)o1	767887790	YDDNELJOVNSQOD-ZSOIEALJSA-N	277.327	4.145	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	783711322	XHMSPYVBHJRGDT-MFVBVHDHSA-N	292.382	4.456	50	20	CIGD	
C[C@@H]1CCC(=NNC(=O)c2ccc(Cl)cc2F)[C@H](C)C1	783848338	FYMGVMDBZMEVKH-NXEZZACHSA-N	296.773	4.021	50	20	CIGD	
C=C(CBr)CNC(C)(C)c1ccc(CC)cc1	791492477	LSOHHZRVQUTLAW-UHFFFAOYSA-N	296.252	4.025	50	20	CIGD	
CCCN(N=Cc1ccc(C)c(C)c1)C(=O)OC(C)(C)C	794995591	LHTAVMGXVKPZTH-UHFFFAOYSA-N	290.407	4.284	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)o1	834750397	BWCJEMLKBWZWIX-DEQITEPFSA-N	299.370	4.186	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)OC1CCCCC1	21957401	YYPLNQJNALVPPZ-UKTHLTGXSA-N	289.762	4.123	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(C)c(Cl)c2)n1	193743242	IPGLRXDSUWSMJW-XGICHPGQSA-N	274.776	4.478	50	20	CIGD	
CC(C)(C)Oc1cccc(/C=C(/C#N)C(=O)C(C)(C)F)c1	864365920	GNTOUTXKOHPNHU-LCYFTJDESA-N	289.350	4.088	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	918715655	OKHDFVNNBBMJIF-XYOKQWHBSA-N	293.313	4.200	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccccc2)cc1	6209509	JZGDCTDHRHAZMS-BDKUJZOCSA-N	288.350	4.097	50	20	CIGD	
CCCCO[C@]1(CBr)CCC[C@H](C)C1	50503455	JSRJYSWVGYDNBG-NWDGAFQWSA-N	263.219	4.147	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	755407414	VQNZLIVNSDPTJJ-NJQKBMNKSA-N	299.267	4.367	50	20	CIGD	
CC(C)c1ccc2occ(C(=O)NNc3ccccc3)c2c1	804466603	GMDJRVSGLUIPSF-UHFFFAOYSA-N	294.354	4.313	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)C2CCCC2)c(C)c1	849180080	WNYSZTNGOLCTIX-LFIBNONCSA-N	283.371	4.060	50	20	CIGD	
CC(CCCC(C)C)=NNC(=O)c1ccccc1Cl	1319377776	RTSMJNAYPOPOLA-UHFFFAOYSA-N	280.799	4.272	50	20	CIGD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)CCl	1324706528	LFWXIRVBGKYLJT-UHFFFAOYSA-N	291.803	4.324	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	732577147	MSTLGMGUYJLIEJ-PTNGSMBKSA-N	279.314	4.178	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2cc(C)sc2C)c(C)c1	743764246	FWWUPLAFJCADAX-UHFFFAOYSA-N	288.416	4.047	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761387947	ZYAVCEZGORVGQV-UITAMQMPSA-N	286.133	4.265	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)C1CCCC1	780003898	ACFKBJKQHKSOLD-YHYXMXQVSA-N	265.765	4.068	50	20	CIGD	
CC1(C)Cc2cc(/C=C(\C#N)C(=O)C3CCCC3)ccc2O1	781556533	ZECNTNHOCGYZPW-MHWRWJLKSA-N	295.382	4.066	50	20	CIGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1c[nH]c2ccccc12	797399117	ZUZOTRZEOIHEOL-QWHCGFSZSA-N	297.402	4.100	50	20	CIGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)c1ccoc1	798230912	UUVUBDAAUNUZGE-KPKJPENVSA-N	291.228	4.088	50	20	CIGD	
Cc1cscc1C(=O)NNc1c(C)cccc1C(C)C	812768273	NALXGATYTPUSLG-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
CCc1ccc(C(=O)NN=C2CCCC23CCCC3)cc1	814745425	UXYGIQNJNGYEPR-UHFFFAOYSA-N	284.403	4.079	50	20	CIGD	
CCCc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)s1	856720306	GXJLFBBAFLAURV-PKNBQFBNSA-N	261.390	4.223	50	20	CIGD	
CCCc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)s1	856720608	NZGKMMPHWPZKCC-FMIVXFBMSA-N	285.368	4.392	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)CC)cc1F	794874177	IYGFUNHADMSJQZ-LCYFTJDESA-N	289.350	4.137	50	20	CIGD	
CC[C@@H](C)n1c(SC/C=C/C#N)nnc1-c1ccccc1	840193877	JBLJAXODDLZWAH-SBDDDAINSA-N	298.415	4.088	50	20	CIGD	
N#Cc1ccc([C@H](Br)c2ccccc2)cc1	79572216	GRVPWOLGXHBUJY-CQSZACIVSA-N	272.145	4.043	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccccc1	211390639	HTWNHNHWJNAGBE-SXDCBDFHSA-N	273.335	4.423	50	20	CIGD	
COC(=O)N(C)N=C1CCC[C@H](c2ccc(Cl)cc2)C1	496274770	MDPQODCHFMUDPQ-LBPRGKRZSA-N	294.782	4.052	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H](CC(C)C)c2ccccc2)c1	740922237	CIBQZPHWNVTXTI-SFHVURJKSA-N	296.414	4.268	50	20	CIGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1ccccc1	754175088	YWRPFSJTFIJYOX-HUUCEWRRSA-N	294.398	4.119	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cscc1Cl	771837901	LQFIWVWYBCDJEW-RUDMXATFSA-N	277.732	4.093	50	20	CIGD	
CCCC(=CC(=O)NNc1ccc2ccccc2n1)CCC	777463112	BEKAZLGDQGHIOG-UHFFFAOYSA-N	297.402	4.205	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCC)c(F)c1	782343307	VCVNLLBBAMZUNV-IGVUGNCQSA-N	289.350	4.137	50	20	CIGD	
CCc1cccc2c(/C=C(\C#N)c3ccccn3)c[nH]c12	6209276	HPLQMGDEDJFDBG-GXDHUFHOSA-N	273.339	4.189	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1	23217996	YYTVHYLFXJOQMD-XNTDXEJSSA-N	286.334	4.266	50	20	CIGD	
Clc1ccccc1CO[C@@H]1CCC[C@H]1Br	50502810	BWKXXHYRVKGWMV-ZYHUDNBSSA-N	289.600	4.173	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)cc1C	726119488	ZPEMFZCBKWFOPS-NTEUORMPSA-N	259.324	4.046	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1	741473567	JFAMIHLFSLUELE-LUYJPIOASA-N	285.387	4.386	50	20	CIGD	
CC(C)OC(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	917516861	HIAKJLFUFUTDDQ-ATVHPVEESA-N	291.350	4.212	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1	125365571	LJAPWRCHWCHWRH-JYRVWZFOSA-N	291.778	4.261	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1csc(C2CC2)n1	141481896	IZQQQUSFZZIMMN-JYRVWZFOSA-N	294.379	4.119	50	20	CIGD	
CC1(C)CCC(O[C@H]2CCC[C@H]2Br)CC1	163239697	WVYWGMRNZWVQKZ-NEPJUHHUSA-N	275.230	4.288	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccsc2)c1C	255386680	ZCSJDQIZUUHLGG-RIYZIHGNSA-N	267.353	4.155	50	20	CIGD	
CC(C)[C@@H](NC[C@@H](C)CBr)c1ccccc1	309719051	ZZBSBENGDNSHQF-GXTWGEPZSA-N	284.241	4.004	50	20	CIGD	
O=C(CCCC1CCCC1)NNc1cccc(Cl)c1	742516911	PYOHIUKMUVJGFN-UHFFFAOYSA-N	280.799	4.144	50	20	CIGD	
CC(C)(C)CC(=O)NN=C1CC(c2cccc(Cl)c2)C1	753922779	XTMBLARFFRLTQD-UHFFFAOYSA-N	292.810	4.126	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	773170182	IQLLVOJSJTWETD-RIYZIHGNSA-N	297.304	4.372	50	20	CIGD	
C=C(CBr)CN1CCC[C@@H]1c1ccccc1C	791448755	NGWYIJBXDZNMCO-OAHLLOKOSA-N	294.236	4.083	50	20	CIGD	
COCc1csc(/C=C(\C#N)c2nc(C)c(C)s2)c1	849244452	BOIKLDMVDOHZAK-LFYBBSHMSA-N	290.413	4.032	50	20	CIGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccccc1Cl	1115961430	RMAXEHFAZYBIKJ-LBPRGKRZSA-N	292.810	4.416	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(F)c1F	1116005527	GROMOPJFUPQVBC-UKTHLTGXSA-N	283.277	4.063	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(C(C)(C)C)s2)c1	159614586	VMSSEGOUZINEJU-UHFFFAOYSA-N	288.416	4.111	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1cccc(F)c1	785351211	MMAPHVVJNDXLHV-YDRQLGOLSA-N	295.313	4.037	50	20	CIGD	
CC/C(C)=C(/C)C(=O)NNc1cc(Cl)cc(Cl)c1	791733846	XNHHKBUNRWOXHO-HJWRWDBZSA-N	287.190	4.183	50	20	CIGD	
CCC(=NNC(=O)c1ccc(Cl)cc1)C1CCCC1	834915040	FNNWBBQHDSMWFM-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CCCN(N=C(C)CC(C)(C)C)C(=O)OC(C)(C)C	834977529	MXRICFXGEKOQDH-UHFFFAOYSA-N	270.417	4.446	50	20	CIGD	
COc1cc(C)ccc1/C=C(\C#N)c1nc(C2CC2)cs1	843266339	UTDLAYOLZKTLJV-RIYZIHGNSA-N	296.395	4.402	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)oc2C)c(C)c1	6472723	YWUSCQDVBWNZJL-SXGWCWSVSA-N	294.354	4.059	50	20	CIGD	
Cc1ccc(-c2nc3cc(C(=O)Cl)ccc3o2)cc1	137847603	LXTGRCNNYPHLRC-UHFFFAOYSA-N	271.703	4.182	50	20	CIGD	
COc1ccsc1/C=C(\C#N)c1nc(C(C)C)cs1	268723026	IKQLXEBHHILYOD-UXBLZVDNSA-N	290.413	4.401	50	20	CIGD	
Cc1ccccc1C(=O)NN=C(C(C)C)C1CCCCC1	733907311	MXHIIWBROPCGPR-UHFFFAOYSA-N	286.419	4.317	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2ccccc2o1	794875420	VRNCQJQYAMQLIL-JLHYYAGUSA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)C1CCCC1	799893349	XPOBLGYRJAPGJS-OQLLNIDSSA-N	273.763	4.092	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)C1CCCCC1	128930642	KDAQZMIUKRLFME-FLIBITNWSA-N	279.792	4.458	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2ccccn2)cc1Br	162478984	TZFOHVLOTQUSSU-JYRVWZFOSA-N	299.171	4.217	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(F)c2cccnc12	164647133	BPWWLWALBCZVNI-UKTHLTGXSA-N	296.345	4.286	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1ccc(F)cc1	192540053	ZBQUXNGAONNZJI-UVTDQMKNSA-N	291.281	4.362	50	20	CIGD	
CCC[C@@H](CBr)CCOCc1ccccc1	307414932	UGPXISCILHLADO-CYBMUJFWSA-N	285.225	4.405	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	726120545	SXRONSDEAULXJB-MHWRWJLKSA-N	255.361	4.332	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1F	731488651	OFRIELXYXPMHFW-JYRVWZFOSA-N	277.302	4.075	50	20	CIGD	
O=C(CC1=CCCCC1)NNc1ccc(C(F)(F)F)cc1	747590651	BUXXGQNRADIYCS-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)C2CCCCC2)c1C	767714480	QEOPUFFKCRAWNP-BOPFTXTBSA-N	284.403	4.181	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(C)c1	794873551	FTQUIDFHPDKYES-LCYFTJDESA-N	259.324	4.046	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccccc2F)c1	8201855	WAMVFGOEXYINOX-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	125450805	RKHPOCFGPXNTNF-ZSOIEALJSA-N	254.358	4.133	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	128674883	CXGBPXNPHPVJTC-XYOKQWHBSA-N	288.416	4.323	50	20	CIGD	
Cc1cc([C@H](C)NC[C@H](C)CBr)c(C)s1	152772191	ALZORHIEDAVTER-SCZZXKLOSA-N	290.270	4.047	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	741471306	YTPBGVJMUFZHLQ-KWZJRMENSA-N	285.387	4.386	50	20	CIGD	
CN(N=CCC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)OC(C)(C)C	768768645	OGBZCAOYKGVFOH-RDBSUJKOSA-N	280.412	4.056	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1ccccc1F	771840117	XQAHOEDTCBVWIE-WEVVVXLNSA-N	291.734	4.330	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776719823	CBIIQIPYRHTPHU-LFYBBSHMSA-N	279.742	4.391	50	20	CIGD	
C=C(CBr)CN[C@@H](c1ccccc1)C1CCC1	791476301	VPNQCACFBQWZCZ-HNNXBMFYSA-N	294.236	4.069	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc2occc2c1	794686208	LOVHPVWXJWTTIO-ZROIWOOFSA-N	277.279	4.124	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccccc1OC(C)C	794874010	IPIOJDDNIJGAFM-PTNGSMBKSA-N	285.387	4.386	50	20	CIGD	
CCC(=NNC(=O)c1cc2c(s1)CCCCC2)C(C)C	916369448	FXQPZUACDJBBDJ-UHFFFAOYSA-N	292.448	4.169	50	20	CIGD	
C[C@@H](Br)Cc1ccc(Cl)c(Cl)c1	70503541	LJOCQIAVNOLEHO-ZCFIWIBFSA-N	267.981	4.319	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc(Cl)c2F)n1	178001306	TUDOXLICRMQUJN-BJMVGYQFSA-N	278.739	4.308	50	20	CIGD	
CSc1cc(/C(C#N)=C\c2c(C)cc(C)cc2C)ncn1	773174880	AEZGXEJRYPVBBO-AUWJEWJLSA-N	295.411	4.188	50	20	CIGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1C	834921064	RAJMXPOHRPKCAW-OCCSQVGLSA-N	297.402	4.100	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)s1	1318850596	MTOPHASLBZBSDX-MHWRWJLKSA-N	293.391	4.335	50	20	CIGD	
N#C/C(=C\c1ccsc1)c1nc(-c2ccncc2)cs1	48986276	WSRGQIXJZVEXBD-NTUHNPAUSA-N	295.392	4.331	50	20	CIGD	
CC[C@@H](C)O[C@@H](CBr)c1ccccc1F	50480011	PSZQYUOYWIXDIM-SKDRFNHKSA-N	275.161	4.077	50	20	CIGD	
C[C@H](CBr)Cc1ccc(Br)cc1	84192512	XGZAEHTZLVMVOX-QMMMGPOBSA-N	292.014	4.023	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccsc2)c1	255752480	BKCBMNSPZBVCNY-NVNXTCNLSA-N	267.353	4.155	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2C)cc1	588467643	BUIYLDVDQODDKI-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
O=C(NNc1ccccc1Cl)c1sccc1C1CC1	748292082	LUYUWBARTWKRKF-UHFFFAOYSA-N	292.791	4.036	50	20	CIGD	
CC(C)(C)c1ccc(NC(=O)NNc2ccccc2)cc1	762234244	TWJMVHXNVHZUJD-UHFFFAOYSA-N	283.375	4.133	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)CCC(C)(C)C	771706948	LXOXUUJSZDDJHP-GFCCVEGCSA-N	280.387	4.040	50	20	CIGD	
CC(C)C(C)(C)C(=O)NNc1ccc(Cl)cc1Cl	784446955	QJTCFEBKGQWTAQ-UHFFFAOYSA-N	289.206	4.119	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814188575	OBFGPJPNGUGMJF-OJILRHQJSA-N	297.398	4.301	50	20	CIGD	
COc1cccc(C)c1/C=C(\C#N)C(=O)C1CCCCC1	834430287	KGSDIQSVQQPPEG-RVDMUPIBSA-N	283.371	4.060	50	20	CIGD	
CC[C@@H](C)C(=O)NN=Cc1ccccc1-c1ccccc1C	834943320	UMPZEJABOQQQPB-CQSZACIVSA-N	294.398	4.158	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	7157830	UZPUSZUATCIYMB-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
COc1cccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1	11297280	IIPMUSHVCVFLIN-RIYZIHGNSA-N	297.741	4.138	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1C	194524890	ODRPMEYTCCKIKF-RIYZIHGNSA-N	297.379	4.163	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CCC[C@H]1Cc1ccccc1	735613855	JQMPKJNFZGVAJR-KRWDZBQOSA-N	298.430	4.082	50	20	CIGD	
CCCC1CCC(C=NN(C)C(=O)OC(C)(C)C)CC1	755662038	RCBXXBVDRGZSGL-UHFFFAOYSA-N	282.428	4.446	50	20	CIGD	
CSc1cc(/C(C#N)=C/c2cc3ccccc3o2)ncn1	773176568	OAQKHOBYISANQT-KPKJPENVSA-N	293.351	4.009	50	20	CIGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1cc(Cl)ccc1Cl	780599339	BGKZTAPSOITHGO-RKDXNWHRSA-N	289.206	4.119	50	20	CIGD	
CCCN(N=C(C)c1ccccc1)C(=O)OC(C)(C)C	794992501	BNIVKGLUENMKGJ-UHFFFAOYSA-N	276.380	4.058	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc2ccoc12	1348487146	CJQJIMMJMYQCLA-ZROIWOOFSA-N	267.328	4.345	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2sccc2C)c1C	170869703	DEXBELIYCGFVMW-OQLLNIDSSA-N	298.411	4.285	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1C	194527160	XRNHKVWAHRXJPF-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
Cc1c(Cl)cccc1C(=O)NNc1ccccc1Cl	194792892	CSWNNEXVFXNNHZ-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)C(C)(C)C)co2)cc1	255431328	ZNHAXLKZKLNLRA-ZROIWOOFSA-N	294.354	4.172	50	20	CIGD	
CC(C)[C@@H](C)C(=O)NN(Cc1ccccc1)c1ccccc1	733088476	OWIKTMJKWADWMG-MRXNPFEDSA-N	296.414	4.017	50	20	CIGD	
CCc1cccc(NC(=O)NNc2ccccc2Cl)c1	769926014	TWVMSPSQPUCLFD-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@H](CC(F)(F)F)C1	817280832	DOPRBNIGXYCKKA-PBTLCFMXSA-N	294.320	4.215	50	20	CIGD	
O=C(NNc1cccc(Cl)c1Cl)C12CCC(CC1)C2	838348137	VVSWLYFFXZRCEQ-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
CCO[C@@H](C)c1nccn1CCO[Si](C)(C)C(C)(C)C	840204614	YGQDPUWDRWNXNG-ZDUSSCGKSA-N	298.503	4.002	50	20	CIGD	
CCCCc1oc2ccccc2c1C=C(C#N)C#N	8446244	DOPGJLXDUQVIHH-UHFFFAOYSA-N	250.301	4.206	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)s1	741473246	GORQGZSAFFYJDP-IZZDOVSWSA-N	260.387	4.194	50	20	CIGD	
CCc1ccc([C@H](C)CC(=O)NNc2ccc(C)cc2)cc1	749194357	XQFRVNUOFRSTNO-OAHLLOKOSA-N	296.414	4.194	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1ccsc1	794874375	GMJHWLWXXVJSEJ-QPEQYQDCSA-N	289.306	4.476	50	20	CIGD	
Cc1ccc(NNC(=O)CCCCC(C)(C)C)cc1	806397600	WNRMAZVPABTBHN-UHFFFAOYSA-N	262.397	4.045	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1339668832	AQHAPSSNPBOPEU-LFIBNONCSA-N	267.372	4.088	50	20	CIGD	
N#CC(C#N)=CN[C@H](c1ccc(Cl)cc1)c1cccs1	48629427	AMSVSQMCHGKQQK-OAHLLOKOSA-N	299.786	4.012	50	20	CIGD	
Br[C@H]1CCCCC[C@@H]1OC1CCCC1	50502661	ZYAXGXALVLOEPN-RYUDHWBXSA-N	261.203	4.042	50	20	CIGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1ccsc1	740764643	AYJORCXYKLXKOL-ZROIWOOFSA-N	290.347	4.086	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747689908	APJOMVKVWPUHMT-MTOJCTJASA-N	290.366	4.271	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2)cc2cccnc12	783696342	MJOQWILBUXHTDT-PDGQHHTCSA-N	298.345	4.333	50	20	CIGD	
CCCN(N=Cc1ccc(CC)s1)C(=O)OC(C)(C)C	794995650	LXRBKGYDYWOQRC-UHFFFAOYSA-N	296.436	4.292	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1ccc(F)cc1	799890966	GICWBFUWFCRSTP-OQLLNIDSSA-N	299.732	4.354	50	20	CIGD	
O=C(NNc1ccc(F)cc1)Nc1cccc(C2CCC2)c1	812993190	IQUWTKYYVXEDGM-UHFFFAOYSA-N	299.349	4.242	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863184853	QEZYZVYZELLEKG-POHAHGRESA-N	287.306	4.289	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cc(Cl)cs2)n1	195226438	OOSUPPYELIFMMQ-WAPJZHGLSA-N	266.778	4.231	50	20	CIGD	
CC(C)[C@H](C)C(=O)NN(Cc1ccccc1)c1ccccc1	733088475	OWIKTMJKWADWMG-INIZCTEOSA-N	296.414	4.017	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1Cl	741470594	SFTNIRYSWBYIST-VSXLWIIGSA-N	261.752	4.252	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)Nc1ccccc1	767341049	OOFFXZYPEUOZLO-UVTDQMKNSA-N	296.757	4.194	50	20	CIGD	
C[C@@H](CBr)CN(C)[C@H]1CCCc2ccccc21	770646416	NUTDKLJREDLIAR-WFASDCNBSA-N	296.252	4.027	50	20	CIGD	
CCCCC[C@H](CC)C(=O)NNc1ccc(F)cc1F	775781895	YNGOQTMPMLPLHD-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
CCCCC[C@@H](C(=O)NNc1cc(Cl)ccn1)C(C)C	778453125	KRGHXPPDTUXJJD-CYBMUJFWSA-N	297.830	4.031	50	20	CIGD	
C=CCC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCC1	790867244	PGONMIBPLHPCNG-UHFFFAOYSA-N	286.419	4.174	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc2occc2c1	794687269	SENKJSVGCMBQKS-FOWTUZBSSA-N	296.370	4.036	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc2ccncc2s1	849179353	QYFUXYVVXSMWEB-KPKJPENVSA-N	284.384	4.209	50	20	CIGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)C(C)C)o2)cc1	915989815	FIQZMYFHBRYGCE-XNTDXEJSSA-N	279.339	4.387	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	918186251	XMSLZVCRIBLZLN-KAMYIIQDSA-N	298.773	4.341	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(N3CCCC3)cc2)n1	1317890625	AAIVWKSMZSLSNJ-XNTDXEJSSA-N	295.411	4.116	50	20	CIGD	
CC(C)(C)c1ccc(CCC(=O)NNc2ccccc2)cc1	97001110	MSOASLOEIONJIA-UHFFFAOYSA-N	296.414	4.060	50	20	CIGD	
CCCc1cc(C(=O)NNc2ccc(C)cc2)sc1C	120429746	BDRABQFODVGLNL-UHFFFAOYSA-N	288.416	4.074	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1F	780005127	SSDQKQPOMXBGFU-JYRVWZFOSA-N	289.350	4.137	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C\c1ccccc1	1318053010	LBIJQHGHXCWPKU-AYWUYTOOSA-N	273.335	4.341	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1	7714381	CMXJSKHSUZXFBB-UKTHLTGXSA-N	283.352	4.100	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(Cl)c1F	178001550	CJUALBJBMUOACL-YRNVUSSQSA-N	265.715	4.001	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1Cl	588409917	FKOIOXGNKJPWGF-MDWZMJQESA-N	285.730	4.340	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1cc2ccccc2o1	749823206	KLJXSDKIXWNNDU-UHFFFAOYSA-N	284.359	4.285	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CCCc2sccc2C1	750802363	XJEWVXJAIVJFFP-APSNUPSMSA-N	298.386	4.200	50	20	CIGD	
O=C(NNc1ccccc1)Nc1ccc(C2CCC2)cc1	786227088	JPDWEKFKGUGUHR-UHFFFAOYSA-N	281.359	4.103	50	20	CIGD	
C/C(=C/C(=O)NNc1ccc(C)c(Cl)c1)C(C)(C)C	1340446294	PGVBVRITSNOZSO-FLIBITNWSA-N	280.799	4.084	50	20	CIGD	
CC(C)(C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	29518032	UTAYPBUZQVZJMU-UHFFFAOYSA-N	295.597	4.136	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccsc2)c1C	171791103	LPUXTNANMOAAPJ-OVCLIPMQSA-N	267.353	4.155	50	20	CIGD	
Cc1cnc(/C=C(\C#N)c2nc(C(C)C)cs2)s1	295926436	NFKVSMQEFKSEHS-ONNFQVAWSA-N	275.402	4.096	50	20	CIGD	
C[C@@H]1CCC[C@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950285	OOPHENUKJOAQLG-TZMCWYRMSA-N	256.462	4.156	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cc2ccccc2o1	749825420	BTRYWRWIARPUNG-LBPRGKRZSA-N	286.375	4.365	50	20	CIGD	
Cc1cc(Cl)cc(C)c1C=NN(C)C(=O)OC(C)(C)C	756882978	KPVIFUCXPFCNFI-UHFFFAOYSA-N	296.798	4.158	50	20	CIGD	
CCCCCC[C@@](C)(CCC)C(=O)N1CC=C(C#N)CC1	780686348	ZDMZPHVDMZEOMT-GOSISDBHSA-N	290.451	4.445	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCC)c(F)c1	782343306	VCVNLLBBAMZUNV-CJAAZZPWSA-N	289.350	4.137	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C2CC2)cc1	840715336	ALXJFHLLHKSIRB-SEJMYLSOSA-N	253.345	4.086	50	20	CIGD	
Cc1c(Cl)cccc1C(=O)NNc1cccc(Cl)c1	194059333	UUAKJICYZNFEKA-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1ccco1	212653912	BYRIBPJQQHOEBJ-WJDWOHSUSA-N	273.291	4.223	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)c1ccsc1	254999650	WCLXDHGXKQUZSB-WZUFQYTHSA-N	291.734	4.330	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(N3CCCCC3)o2)n1	255728719	GSRAWACLWZLASO-LCYFTJDESA-N	299.399	4.099	50	20	CIGD	
N#CC(C#N)=CNc1ccc(CCCc2ccccc2)cc1	726522634	YPEKZFCAISHLTO-UHFFFAOYSA-N	287.366	4.205	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1ccc(C)s1	729849620	LECTWVRMZWKZOE-JLHYYAGUSA-N	284.384	4.058	50	20	CIGD	
COc1ccsc1/C=C(\C#N)c1ccc2ccccc2n1	764431636	DJUBLTVPCQIMHW-JLHYYAGUSA-N	292.363	4.369	50	20	CIGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1F	785363835	RGARUEKKPQBGTH-JMRXEAOASA-N	295.313	4.037	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1C(C)C	854336922	RXHZHHJKKMISDR-UHFFFAOYSA-N	296.414	4.438	50	20	CIGD	
CC(C)CCN(C)C(=O)CCCC[C@@H]1CCSS1	45483275	VZEUFXRPYPYIGN-CYBMUJFWSA-N	289.510	4.205	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1cc2ccccc2s1	176954716	UAIBPVCSHJSECQ-WQLSENKSSA-N	255.342	4.033	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC	741469740	MLAONWRATRHGGI-KAQJVSAMSA-N	291.778	4.261	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1sccc1Cl	780004144	GIMOJFJFMVVSKS-RMKNXTFCSA-N	267.781	4.314	50	20	CIGD	
Cc1cc(C(=O)NNc2c(C)cccc2C(C)C)oc1C	812768333	OTPSWDROAIGCON-UHFFFAOYSA-N	286.375	4.085	50	20	CIGD	
CC(C)(C)c1ccc(NNC(=O)CC(C)(C)C2CC2)cc1	816018414	CVMNNUNPYQYPLD-UHFFFAOYSA-N	288.435	4.254	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CC12CCCC2	748009797	UEBJWYIABAJWHY-JTQLQIEISA-N	299.201	4.017	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C[C@H](C)c2ccccc2C)c1	748380760	SALBSZDOQFPHJU-INIZCTEOSA-N	296.414	4.249	50	20	CIGD	
O=C(CC1CCCC1)NN=Cc1ccc(Cl)c(Cl)c1	749452543	OYSWLYYMROLLSI-UHFFFAOYSA-N	299.201	4.024	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc2c(c1)CCCC2	792865643	GAKBSCASCQRKIG-BOPFTXTBSA-N	291.350	4.257	50	20	CIGD	
CCCN(N=C1CCC(C)CC1)C(=O)OC(C)(C)C	794992595	FBIPALGTBBPCIM-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
C=CCN(C(=O)CCCC[C@H]1CCSS1)C(C)C	918701546	WKIUVLSKZGBBAV-ZDUSSCGKSA-N	287.494	4.124	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)c(C)o1	162505878	UACZBEHCXSQEBI-QPEQYQDCSA-N	271.341	4.056	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741847806	IHENMXKRJSQLIX-XYOKQWHBSA-N	295.269	4.263	50	20	CIGD	
O=C(NNc1c(Cl)cccc1Cl)C12CCC(CC1)C2	752575548	JYQTUEDDUGFRBI-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)C2CCCC2)c1	769724900	JDLUOOVPHMYRTD-XNTDXEJSSA-N	285.412	4.465	50	20	CIGD	
CCC(CC)[C@@H](C)C(=O)NNc1nc2ccccc2cc1C	777482771	QSAMENDTEFWJSX-CYBMUJFWSA-N	299.418	4.059	50	20	CIGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1cccc(F)c1	794692889	YCUXMYFPQQXRRI-OQLLNIDSSA-N	291.281	4.362	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)c2nc(C)cs2)c1	48639355	SGQRQISEVZFDTA-RIYZIHGNSA-N	284.384	4.305	50	20	CIGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C3CCC3)cc2)c1	189678137	QUHXYXNZPUEFES-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
CCCN(N=C(CC)C(C)C)C(=O)OC(C)(C)C	495676157	FXEJKKRNODLVAP-UHFFFAOYSA-N	256.390	4.056	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1cccc(F)c1	588597657	ZDFFDILEZDPZJX-ZSOIEALJSA-N	283.277	4.063	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	726428652	BXTFVAPHDQHQKI-QXPQOBGOSA-N	284.403	4.055	50	20	CIGD	
CCCCCC[C@@H](C)C(=O)NNc1cccc(C)c1	743301585	LNZICWXUWNTXHW-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
C[C@H]1CC[C@@H](C=NNC(=O)c2ccc(Cl)cc2Cl)C1	800808093	FQCSJUPTBQZJPJ-VHSXEESVSA-N	299.201	4.145	50	20	CIGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CCCCC#N	844347267	JAYLKUWIBKOCRR-OAHLLOKOSA-N	296.531	4.166	50	20	CIGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccccn1	12367817	XWEDWTPGRYTJFW-XFXZXTDPSA-N	274.245	4.165	50	20	CIGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12	207894252	QIWMBULXVRNVTG-JYRVWZFOSA-N	290.297	4.097	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1C	588597631	XRNHKVWAHRXJPF-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	726428232	HVHRAAMKWRDWCP-VPMLRQHESA-N	281.277	4.228	50	20	CIGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccccc1F	727250634	TXSFYHCCNGLAGX-CYBMUJFWSA-N	290.382	4.148	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776722483	QVVFYCLVWPHKSH-ONNFQVAWSA-N	265.715	4.001	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccsc1Cl	790099149	GYMUZRJJCBDXDH-FMIVXFBMSA-N	296.823	4.005	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(F)c3ccccc23)c1	794924935	XZKUAVCIZNTSRL-UHFFFAOYSA-N	294.329	4.044	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1	794952970	KOAUVNVVEXFXDA-RVDMUPIBSA-N	285.387	4.386	50	20	CIGD	
CCCN(N=C/C=C\c1ccccc1)C(=O)OC(C)(C)C	794997806	GAHPUXLQSLVIPC-CFIXHINXSA-N	288.391	4.333	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1	806398310	DWNHQPUERNVVAX-BHYGNILZSA-N	286.419	4.045	50	20	CIGD	
CC(C)(C)[C@H](CBr)COCc1ccccc1	83182405	QPGIHFYPFWFCKB-CYBMUJFWSA-N	285.225	4.260	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NCCC1CCC1	150849923	YSMHDHLALIKDQP-CYBMUJFWSA-N	287.494	4.007	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Cl)cc2C)c1	158848310	VSLXAUAYIPYILH-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	209638007	CYUACEYSKCJOGY-GHRIWEEISA-N	291.350	4.265	50	20	CIGD	
CCCN(N=C(C)[C@@H](C)CC)C(=O)OC(C)(C)C	496277805	UGCUREMKLOSARA-NSHDSACASA-N	256.390	4.056	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	726428229	HVHRAAMKWRDWCP-BZPKPHBRSA-N	281.277	4.228	50	20	CIGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)c1cccc(Cl)c1	748440043	DQDKYCGAAZSJEZ-SDQBBNPISA-N	298.754	4.063	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2c(C)cccc2C)c1	755585890	BVXMJAWIYIZEGN-LFIBNONCSA-N	291.350	4.102	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758062353	JMAHTRGKULOZOP-AVJLEEFCSA-N	289.325	4.433	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1csc2ccccc12	810202549	FXNHBTFXRWYWLO-FMIVXFBMSA-N	285.368	4.152	50	20	CIGD	
CC[C@@H](C)c1ccc(C(=O)N(C)CC(Cl)Cl)cc1	848081608	FNVRUMHXJSXNDC-SNVBAGLBSA-N	288.218	4.076	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)CC(C)C)cc1C	726120001	HSZNZRMUPGIGJX-CXUHLZMHSA-N	255.361	4.134	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)C1CCCC1	781553751	WWQYSODYZYVZAS-GHXNOFRVSA-N	277.726	4.145	50	20	CIGD	
BrC[C@H](OCC1CCCC1)c1ccccc1	85489544	LXLRRPJVRMIWQE-AWEZNQCLSA-N	283.209	4.329	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c(C)c1	732716276	MXLBQGDQLNYYJJ-ATVHPVEESA-N	296.414	4.002	50	20	CIGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@H](c2ccccc2)C1	750793657	AMMDGBMFKKCUQG-AEUYPJEVSA-N	292.357	4.180	50	20	CIGD	
C=CCC1(C(=O)NNc2ccc(Cl)cc2Cl)CCC1	790806632	JKQCOOXULPHHDW-UHFFFAOYSA-N	299.201	4.183	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)CC)cc1F	794874186	IYGFUNHADMSJQZ-UKTHLTGXSA-N	289.350	4.137	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c2cccnc12	794875414	VLCBBGKBPMNNPR-JLHYYAGUSA-N	296.345	4.286	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1cc(-c2ccccc2)on1	818272714	ALDFUJQDSJDWGO-UHFFFAOYSA-N	299.374	4.028	50	20	CIGD	
CCc1onc(C)c1/C=C(\C#N)c1nc(C(C)C)cs1	899361119	VCBLOENRXGRAAA-IZZDOVSWSA-N	287.388	4.190	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)Nc2ccccc2Cl)c1	915878196	ORDCHIHLFVLTNJ-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
ClC[C@H](COCc1ccccc1)C1CCCC1	230090925	KIZNLCDWDKNFKK-OAHLLOKOSA-N	252.785	4.248	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)c1ccc([N+](=O)[O-])cc1	588601523	TYNBGSZZYLBNFK-BJMVGYQFSA-N	290.731	4.374	50	20	CIGD	
C[C@H]1C[C@H](CC(=O)NNc2ccc(F)cc2)CC(C)(C)C1	727367990	LHVCIZMJUQFFKP-QWHCGFSZSA-N	292.398	4.121	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1cccc(C)c1C	727827863	MDHRBOKYJARLAS-FOWTUZBSSA-N	292.382	4.305	50	20	CIGD	
CC[C@H]1CCCCC1=NNC(=O)c1cc2ccccc2o1	779775128	VUCLBOCBNCLGLD-LBPRGKRZSA-N	284.359	4.119	50	20	CIGD	
CCCN(N=CC[C@H](C)CC)C(=O)OC(C)(C)C	834977279	JMEDUGCUQKTURF-GFCCVEGCSA-N	256.390	4.056	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1c(F)ccc(F)c1Cl	863184069	HVRKGDPRVVVAMN-TWGQIWQCSA-N	283.705	4.140	50	20	CIGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)OC(C)(C)C	916266671	POXFNXCOYKTMPX-BQVBJWNASA-N	266.385	4.190	50	20	CIGD	
BrCC1(OCc2ccccc2)CCCCC1	50480495	SHJYBKWQIATTFH-UHFFFAOYSA-N	283.209	4.301	50	20	CIGD	
CC(C)Cc1ccc(/C=C(/C#N)c2ccccn2)cc1	86961137	HAKPOACNHVCICG-ATVHPVEESA-N	262.356	4.344	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1C	97152274	LHNKVAOIULCBQL-GDNBJRDFSA-N	279.314	4.232	50	20	CIGD	
CC[C@H](C)CN(C)C(=O)CCCC[C@H]1CCSS1	171866913	JORBJLBHOPHWRS-STQMWFEESA-N	289.510	4.205	50	20	CIGD	
CC(C)(C)OC(=O)NN=Cc1ccc(-c2ccccc2)cc1	254379410	XQBUZKVQMIOJOP-UHFFFAOYSA-N	296.370	4.212	50	20	CIGD	
CC(C)CC1(C(=O)NNc2c(F)cccc2F)CCCC1	755811112	GQRACHBWCWTRLA-UHFFFAOYSA-N	296.361	4.014	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)ccc1C	777918960	ODIOYVOPYAWBNL-ZBQKXELDSA-N	259.324	4.046	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)c1nc(C2CC2)cs1	866008419	AXYBVOVYGYVYBD-ZROIWOOFSA-N	296.395	4.483	50	20	CIGD	
CC(C)[C@H](C)O[C@H]1CCCCC[C@@H]1Br	87468430	NGNYJXVYLFTDAA-SRVKXCTJSA-N	263.219	4.144	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F	193344343	GCTCVUCEIKKPSO-BJMVGYQFSA-N	299.704	4.073	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CC2(CCCC2)C1	372368784	SENPRNGFJCCXFY-ZDUSSCGKSA-N	299.505	4.103	50	20	CIGD	
CC[C@@H](C=NN(C)C(=O)OC(C)(C)C)c1ccccc1	495658034	NBDJIDWRQXLNNE-ZDUSSCGKSA-N	276.380	4.033	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2c(F)cccc2F)c1C	727654477	GESAESIKOOSTEC-LCYFTJDESA-N	297.304	4.372	50	20	CIGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ccccc2)cc1	738507233	HCDZLOZNNDDQRW-OAHLLOKOSA-N	296.414	4.447	50	20	CIGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781555828	PULJGBPPPIQGOE-GZTJUZNOSA-N	297.398	4.388	50	20	CIGD	
C[C@H]1C[C@H](OC(C)(C)CBr)CC(C)(C)C1	158270036	QJBCCFKPSXYNRV-QWRGUYRKSA-N	277.246	4.391	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1sccc1Cl	195338582	RMXSQDQJJAXQBG-YIXGCBLDSA-N	267.781	4.314	50	20	CIGD	
CCCCCC[C@H]1CCCC1=NNC(=O)CC(F)(F)F	728157053	RPDMQLKNHAAIEK-NSHDSACASA-N	292.345	4.182	50	20	CIGD	
N#C/C(=C/c1ccc(O)cc1)c1nc2cc(F)ccc2s1	730149151	UBCOZYJEZTWSAZ-XFFZJAGNSA-N	296.326	4.205	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1cc2ccccc2cc1O	732924551	XWOJCBMPLVYGAX-UHFFFAOYSA-N	298.386	4.231	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)C1CCCC1	767352503	SUHCHOUOMFGGAQ-NTEUORMPSA-N	273.763	4.315	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	794874172	IXYJBFKGAGWEPO-FMIVXFBMSA-N	285.318	4.484	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC=C(c2ccco2)C1	796124776	UILGGOJBZQYOES-MFOYZWKCSA-N	294.329	4.072	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)CCC3)sc1C	1116132061	QZWGOHVZFGMGSU-SXGWCWSVSA-N	280.396	4.313	50	20	CIGD	
C[C@H](c1ccccc1F)N(C)C(=O)C1CCC(Cl)CC1	1518876383	XZNKUNKURBJOHK-PNESKVBLSA-N	297.801	4.143	50	20	CIGD	
Cc1cccc([C@H](CBr)OCC(F)(F)F)c1	50481895	OSNDRJRMDVHDAP-JTQLQIEISA-N	297.114	4.010	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	726594706	NCPJYKATBCPBEG-WDGDVPDHSA-N	293.366	4.371	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)o1	760212266	WDJXPGKGZUMAFT-XFXZXTDPSA-N	277.327	4.091	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776720066	GVZUUVNREXAFTH-SYUPGTOSSA-N	265.715	4.001	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1Cl	779703640	JUWLCTUWQLEQOW-JYRVWZFOSA-N	261.752	4.171	50	20	CIGD	
CCCc1cc(C(=O)NNc2ccccc2C)sc1C	865507837	AYWSRHIXJVZMGQ-UHFFFAOYSA-N	288.416	4.074	50	20	CIGD	
C/C(C=NNC(=O)Nc1ccccc1C)=C/c1ccccc1	915971228	JWTAHKSUKDIPQL-UITSGQOISA-N	293.370	4.206	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1Cl	14150839	LOLCQUILUOMLAX-ZROIWOOFSA-N	297.741	4.138	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2ccccc2o1	125485478	VGJWPEMKMSOZMG-LQELWAHVSA-N	267.328	4.345	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(F)c2)n1	255545437	VVAWNPAQJSIYCI-WUXMJOGZSA-N	272.348	4.470	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C)c(F)c1	731490401	WQNVCAGOMLFBGR-RIYZIHGNSA-N	259.324	4.046	50	20	CIGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1ccc(F)cc1	733950288	OIKOPACXYKZCCC-CQSZACIVSA-N	292.398	4.265	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2cccc3ccccc23)[C@@H]1C	781126999	JSTBLYKIODGOIF-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
C[C@@]1(NC(=O)CCCC[C@@H]2CCSS2)CC=CCC1	838315127	DKUFNSZUWRRMET-UKRRQHHQSA-N	299.505	4.316	50	20	CIGD	
CCCCCCOc1ccc(C=C(C#N)C#N)cc1OC	16406509	IBBLWHXRFATKPY-UHFFFAOYSA-N	284.359	4.085	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccccc3s2)c1	127477889	BJBVQBCNXMJOAW-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)n(CC)c1C	255073830	BBJXBSAJPKUPRR-YBEGLDIGSA-N	272.392	4.037	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@H]1c1cccc(F)c1	750800676	GXYJNUUBDQRLON-GONKEYIRSA-N	278.330	4.137	50	20	CIGD	
C=CCCC(=NN(CCC)C(=O)OC(C)(C)C)C1CC1	794995317	GSGASSILVDIGGS-UHFFFAOYSA-N	280.412	4.366	50	20	CIGD	
N#C/C(=C/c1csc(-c2cccs2)n1)c1ccccn1	78481742	SSVWHGUWPLTYIB-FLIBITNWSA-N	295.392	4.331	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)c1cnc2ccccc2n1	588580567	KDOYLVOXYKLCKI-GXDHUFHOSA-N	297.317	4.440	50	20	CIGD	
CC/C(=C\C(=O)NNc1ccc(F)cc1)c1ccc(C)cc1	741664538	GIBWWQQQAFIFQI-WYMLVPIESA-N	298.361	4.071	50	20	CIGD	
Cc1cc(C)c(NNC(=O)CCC2CCCCC2)c(C)c1	743764703	USCVDEFVDNOOJN-UHFFFAOYSA-N	288.435	4.415	50	20	CIGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1ccccc1	754175086	YWRPFSJTFIJYOX-GJZGRUSLSA-N	294.398	4.119	50	20	CIGD	
C=CCCC(C)=NNC(=O)c1c(Cl)cccc1Cl	758107105	IWHVECPKPBVTEQ-UHFFFAOYSA-N	285.174	4.065	50	20	CIGD	
C=C(CBr)CN1CCC[C@@H]1c1cccc(C)c1	791450838	YCSQZAQZHWZTDW-OAHLLOKOSA-N	294.236	4.083	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(F)c3ccccc23)cc1	794923478	NHQLRPKDBJCIPT-UHFFFAOYSA-N	294.329	4.044	50	20	CIGD	
C[C@H]1CCCCCC1=NNC(=O)c1cc2ccccc2o1	844584401	SUGGFMIZGIQXAA-LBPRGKRZSA-N	284.359	4.119	50	20	CIGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(C)cc1	129785777	OQGYBMKIBSAQHH-UHFFFAOYSA-N	294.354	4.061	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccccc1Cl	211205186	KSNQBSSQFCVFAX-WQLSENKSSA-N	271.703	4.031	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2ccccc2F)o1	212002545	GQFANAKAMDFSAL-CXFBHLDASA-N	295.313	4.332	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1csc2ccccc12	726429802	VZOIHIIDPZHRJN-HQQGHWSLSA-N	269.369	4.423	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@H]1c1cccc(F)c1	750800684	GXYJNUUBDQRLON-XUKORKDYSA-N	278.330	4.137	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2C)cc1	764890807	BWYZOUUHJBTYSD-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1CCCc2occc2C1	808797626	AIKIXKHVTWGGBQ-UHFFFAOYSA-N	295.499	4.050	50	20	CIGD	
CCc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	844548622	SSCODPKUFSXQGM-DHDCSXOGSA-N	268.385	4.387	50	20	CIGD	
CCCCc1ccc([C@@H](NC(=O)CCl)C(C)C)cc1	1253963434	SLQSHLXSZDZLRS-INIZCTEOSA-N	281.827	4.081	50	20	CIGD	
CC(C)CO[C@H]1CCCCCC[C@H]1Br	158188088	MPLHZPZFVNRANM-NEPJUHHUSA-N	263.219	4.145	50	20	CIGD	
C[C@H](C=NN(C)C(=O)OC(C)(C)C)CCc1ccccc1	492862875	FOYQTJYDNIGZHY-AWEZNQCLSA-N	290.407	4.108	50	20	CIGD	
C[C@H]1CCC[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C	536950283	OOPHENUKJOAQLG-JSGCOSHPSA-N	256.462	4.156	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	729151818	YBKJWMLRNHLNEU-YBEGLDIGSA-N	297.398	4.312	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1cccc2cccnc12	747355828	CTVUXVRVJKDYPF-UHFFFAOYSA-N	297.402	4.311	50	20	CIGD	
CCCCC(CC)=NNC(=O)c1cc2ccccc2o1	749823836	SFJSKYWRULHUCY-UHFFFAOYSA-N	272.348	4.119	50	20	CIGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(C)o1	752174502	NZXCWBNNKDSTHQ-CQSZACIVSA-N	290.407	4.444	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCCC2	792860752	XPZLALPKJQNZAC-WJDWOHSUSA-N	267.372	4.088	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794875881	XJUPMLOKYHAKAF-MDWZMJQESA-N	263.287	4.146	50	20	CIGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	834448206	XSVMQWOTYBDRNR-YRNVUSSQSA-N	292.379	4.025	50	20	CIGD	
COCc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	843264106	GOCZUHCTZDNRAD-OVCLIPMQSA-N	296.395	4.231	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)Nc2cccc(Cl)c2)c1	915878208	QRGIOZYBJFJQGN-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
Cc1ccccc1C(=O)NN=C(CC(C)C)CC(C)C	916362115	PNZVJRUFQYMNNZ-UHFFFAOYSA-N	274.408	4.173	50	20	CIGD	
CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)cc1F	1975391837	OKYWVXWWJCPQBR-UHFFFAOYSA-N	262.347	4.488	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	179176291	KMDKSRYTPCJHDI-WDZFZDKYSA-N	289.693	4.170	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)s1	731211211	SKTQUHBBEJKONI-ZRDIBKRKSA-N	289.400	4.093	50	20	CIGD	
N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccccc2)no1	733783098	UFQZCHALYSTGJV-DESBJYGPSA-N	299.333	4.357	50	20	CIGD	
CC(C)C(=NNC(=O)OC(C)(C)C)C1CCCCC1	733901934	IXNYGWZIIIEXMN-UHFFFAOYSA-N	268.401	4.103	50	20	CIGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNc2ccccc2)cc1	760460079	NIWKRQXENSGBKD-HNNXBMFYSA-N	296.414	4.132	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863177844	XUAGGZAPLYMNJY-WTKPLQERSA-N	287.306	4.289	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	128745270	ILZFIVFNWSKRJP-IZZDOVSWSA-N	289.693	4.170	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1	287182439	KEXBEXBXJDYJNO-KAMYIIQDSA-N	283.400	4.147	50	20	CIGD	
CC(C)(CBr)Cc1csc(Cl)c1	307423511	PLMSMQGMSYFYEU-UHFFFAOYSA-N	267.619	4.365	50	20	CIGD	
C[C@H](CBr)CN[C@@H]1CCCCC12CCCC2	309591049	UTSPRAWYIRHBCC-CHWSQXEVSA-N	288.273	4.110	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccccc1F	777872410	SZQUWKDTDDXTLN-MDWZMJQESA-N	283.277	4.063	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2)c(Cl)c1	796982514	DEWYQQGZUNXCSQ-ZROIWOOFSA-N	297.741	4.138	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cccc2cccnc12	807967468	YLQIFGHLSFDSQK-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
CC[C@H](C)[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	57072546	DXXXURAFFKOWCK-YNEHKIRRSA-N	289.510	4.251	50	20	CIGD	
C[C@H](c1cc(Cl)ccc1Cl)N1CC=C(C#N)CC1	271007241	WUBFWNQBZWJCOQ-SNVBAGLBSA-N	281.186	4.210	50	20	CIGD	
CC(=NNC(=O)CC(C)(C)C)C12CC3CC(CC(C3)C1)C2	728431147	MJPAPJODSASROV-UHFFFAOYSA-N	290.451	4.131	50	20	CIGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1	730150235	QAXZSYSCXPTUIG-MHWRWJLKSA-N	285.387	4.244	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756783131	JFMLGRXDRQNOOE-ZWSXMNCCSA-N	293.313	4.119	50	20	CIGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)c1ccccc1	760209445	BMIJGSWXFJJDRP-ZROIWOOFSA-N	294.379	4.200	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(OC(F)F)c1	794874635	MOBJVRLVYQRSDD-WQLSENKSSA-N	293.313	4.200	50	20	CIGD	
CCCN(N=C[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C	794995326	GWLUAHVWVRCDPX-CQSZACIVSA-N	290.407	4.423	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	1325539004	MAXHSADTMOLYSG-LGMDPLHJSA-N	296.414	4.199	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCc1c(N)cccc1Cl	1857791566	WKOAYZHAMMRIMZ-UHFFFAOYSA-N	271.864	4.444	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccccc2)c1	48833127	QFQAHWOFHRTRSI-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
FC(F)(F)c1ccc([C@H]2OCCC[C@@H]2CCl)cc1	92889353	QZNZCJZJOFBFID-ZYHUDNBSSA-N	278.701	4.412	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	105570569	AEFHXLVTDPXNBV-ZROIWOOFSA-N	297.379	4.245	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2[N+](=O)[O-])n1	255161892	BCOOCKFMKVPNKZ-KPKJPENVSA-N	299.355	4.239	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cc(Cl)cs2)n1	588600785	OOSUPPYELIFMMQ-KRXBUXKQSA-N	266.778	4.231	50	20	CIGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1	726120159	KPVZFYQGSMKMLF-FOWTUZBSSA-N	284.403	4.055	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc2ccccc12	726429484	KPOVHZARYDAZOV-YYTPVVGHSA-N	263.340	4.362	50	20	CIGD	
C[C@@H](CBr)CN[C@@H](c1ccccc1)C1CCC1	770667369	QBKMQMJJLNIZOF-WFASDCNBSA-N	296.252	4.148	50	20	CIGD	
CCCCC/C(C=NN(C)C(=O)OC)=C/c1ccccc1	794955713	AINMIIYIBMWKJD-BURJPGGPSA-N	288.391	4.334	50	20	CIGD	
CCC[C@H](CC1CCCCC1)C(=O)NCCCSC#N	819698453	GLIINUHQQPWIMF-OAHLLOKOSA-N	296.480	4.094	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCSc1ccccn1	821057754	JBYBAEQSXYHJRM-UHFFFAOYSA-N	269.486	4.196	50	20	CIGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)OC(C)(C)C	915936180	GCQVRDSBRSOYGM-UHFFFAOYSA-N	290.407	4.255	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1c(C)cccc1C	1320193462	CXLRSHNBBCPHJE-LFIBNONCSA-N	275.351	4.402	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1	7157837	YAGDPMDYWIJLGS-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(C)o1	14130570	YKKXAYITIZPTML-SXGWCWSVSA-N	294.354	4.059	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)c(C)c1	729150090	IRSLXVFEYVKMAO-ZROIWOOFSA-N	259.324	4.046	50	20	CIGD	
O=C(/C=C\C1CCCCC1)NNc1c(F)cccc1Cl	770203824	SXOQDTXDXAMELL-KTKRTIGZSA-N	296.773	4.059	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	790099371	FQQUUAHDLYJPBZ-GZTJUZNOSA-N	297.398	4.388	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	794873154	BPENAIUQDWIYGJ-VZUCSPMQSA-N	279.742	4.391	50	20	CIGD	
C#CCC[C@@H](C)OC(=O)CCCC[C@@H]1CCSS1	839033857	JWHCNOQSABWTNE-CHWSQXEVSA-N	286.462	4.046	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc2ccncc2s1	849179352	QYFUXYVVXSMWEB-GHXNOFRVSA-N	284.384	4.209	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(OC)c1	863186426	XCWMPQLCJMXDSZ-ZWSXMNCCSA-N	291.778	4.261	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1C	44013964	KQBCVSKPEOCVKY-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
CC[C@@H](Br)c1ccc(Br)cc1	57368725	KJYYIARXZUOWNK-SECBINFHSA-N	277.987	4.295	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	170933479	AEFHXLVTDPXNBV-NTEUORMPSA-N	297.379	4.245	50	20	CIGD	
N#C/C(=C\c1cccnc1Cl)c1ccc2ccccc2n1	728699172	QUHMXNFLTHQOJJ-GXDHUFHOSA-N	291.741	4.347	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC	741469745	MLAONWRATRHGGI-ZWSXMNCCSA-N	291.778	4.261	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)c1ccc2ccccc2n1	756256052	AQLWZFCHQPEWAG-YBEGLDIGSA-N	299.308	4.310	50	20	CIGD	
C=CCC[C@@H](NC[C@@H](C)CBr)c1ccccc1	770666308	LDRPBGFIHNHYCY-DZGCQCFKSA-N	296.252	4.315	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1C	772172563	UWTKYKPSUFFVAC-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	783707845	SOWCSYSIQWOQRY-YUSFRKCESA-N	278.355	4.065	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(C)c1C	794873402	DNTALVUIHJOBNW-XNTDXEJSSA-N	255.361	4.216	50	20	CIGD	
COc1cc(C)ccc1/C=C(\C#N)C(=O)C1CCCCC1	834430369	MNRJFHUTJWDQTL-LFIBNONCSA-N	283.371	4.060	50	20	CIGD	
CC(C)(C)OC(=O)n1ccc2cc(CCCl)ccc21	85345520	BFLDGEDVOBKSEZ-UHFFFAOYSA-N	279.767	4.206	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc(F)cc2F)sc1C	125415861	LNLPDPLPRGDRSE-WZUFQYTHSA-N	276.311	4.102	50	20	CIGD	
CSSCC/N=C\c1cc(Cl)cc(Cl)c1O	790574277	KKNMFMKTDGEOKA-MLPAPPSSSA-N	296.244	4.129	50	20	CIGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cccc2ncccc12	807970289	ZVBKEJMVBSZCHM-ZDUSSCGKSA-N	297.402	4.167	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(OC)c1	863186425	XCWMPQLCJMXDSZ-LFTLCWSBSA-N	291.778	4.261	50	20	CIGD	
FC(F)(F)c1cccc([C@H]2OCCC[C@H]2CCl)c1	92889335	KDGIUQQGEBSGPA-CMPLNLGQSA-N	278.701	4.412	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)c1cnc2ccccc2n1	191359774	LGZMTAORFTXNSF-XNTDXEJSSA-N	285.350	4.311	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1)c1sccc1C1CC1	749274715	YLTWECBPNLMJLL-UHFFFAOYSA-N	292.791	4.036	50	20	CIGD	
O=C(NN=C1CC2(CCC2)C1)c1ccc(Cl)cc1Cl	772839303	TYOQMTZELWLGIN-UHFFFAOYSA-N	297.185	4.043	50	20	CIGD	
CC1(CC(=O)NNc2ccc3ccccc3n2)CCCCC1	777465867	RVDZMKAUULRVRB-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)[C@H](CC)c1ccccc1	799754424	IINAXAFPGWHJEC-QGZVFWFLSA-N	296.414	4.194	50	20	CIGD	
CSc1ccc(/C=C(/C#N)C(=O)C2CCCC2)s1	840721343	SKGZUWVLSVEWQV-FLIBITNWSA-N	277.414	4.136	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc2c(c1)CCCC2	792865644	GAKBSCASCQRKIG-GZTJUZNOSA-N	291.350	4.257	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2ccoc2C2CC2)cc1	837058024	JKZGVORESWNAGY-UHFFFAOYSA-N	284.359	4.037	50	20	CIGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)c1ccccc1	33782267	BVQYAOVOZXOEGN-ATVHPVEESA-N	291.350	4.264	50	20	CIGD	
Cc1ccc(NNC(=O)c2oc3c(C)cccc3c2C)cc1	97106062	FIJDOAXODRVTCW-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1	588597581	PHACBRDHGBBLLO-NSIKDUERSA-N	283.277	4.063	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@H]2C)o1	726183963	OHQHDCGSPXDNKD-PEZBLYKWSA-N	271.360	4.315	50	20	CIGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1Cl	727778106	YLOSECDPSLTSOD-SECBINFHSA-N	299.201	4.311	50	20	CIGD	
CCCCCC(CCCCC)=NNC(=O)c1cccnc1	743418147	VIEHYGJGNLWYHM-UHFFFAOYSA-N	289.423	4.328	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	749893227	DRVVNOKIPXFXQM-OJNRTJSBSA-N	294.354	4.254	50	20	CIGD	
CC(CC(C)(C)C)=NNC(=O)c1cccc2ccccc12	834963248	SIBNMEMTTGXYSM-UHFFFAOYSA-N	282.387	4.382	50	20	CIGD	
CC(CCCCC#N)=NNC(=O)c1ccc(C(C)(C)C)cc1	841608871	NMRSHRNSRDHKLN-UHFFFAOYSA-N	299.418	4.174	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2CCCC[C@H]2C)c(C)c1	743763585	QPBBDFBMJGGIOQ-CJNGLKHVSA-N	288.435	4.271	50	20	CIGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cccc(C)c2)cc1	755688407	DSFSGIBVPKBNBW-CQSZACIVSA-N	282.387	4.265	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1	794885330	QRMTWDJDPXTJTC-WOJGMQOQSA-N	298.345	4.333	50	20	CIGD	
N#C/C(=C\c1cccs1)c1cc(C(F)(F)F)ccn1	812248443	NAYCWHNXAYNXDR-RMKNXTFCSA-N	280.274	4.226	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccccc1F	916581490	IECUWIYWBAURPQ-UHFFFAOYSA-N	278.371	4.292	50	20	CIGD	
CC(C)(C)Cc1nnc([C@H](Br)C(C)(C)C)o1	1326554120	SHBCBFQJQXYYAB-VIFPVBQESA-N	289.217	4.140	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2sccc2C)c(C)c1	48639780	VXFKUNJMMCADSZ-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2Cl)s1	170933594	KZGFNBSRADLCGY-XYOKQWHBSA-N	287.771	4.500	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	182270182	FTFPTEVKCYEJLH-RIYZIHGNSA-N	282.274	4.107	50	20	CIGD	
BrCc1cccc2cccc(Br)c12	238000627	RUGOMNXLAWWDCF-UHFFFAOYSA-N	299.993	4.497	50	20	CIGD	
ClCCc1c(C2CCC2)n[nH]c1C1CCCC1	409441972	VVGJKNUQMADYEL-UHFFFAOYSA-N	252.789	4.116	50	20	CIGD	
CC[C@H](C(=O)NN=C[C@@H](C)c1ccccc1)c1ccccc1	731931965	VDGXMLAYRWFAMT-QAPCUYQASA-N	294.398	4.086	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1F	759653617	SZZMFFLOVUAAQZ-ZDIKFAODSA-N	279.742	4.391	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)Nc2cccc(C)c2C)c1	778219929	QUSZBQGWANZHIT-UHFFFAOYSA-N	283.375	4.069	50	20	CIGD	
C[C@H](O[C@@H]1CCC[C@@H]1Br)c1ccccc1	50502820	UMAIDGMSJGCXIV-WCFLWFBJSA-N	269.182	4.080	50	20	CIGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)C(C)C)c(Cl)nc2c1	55040161	FIKYJUUJMTVQPO-ZSOIEALJSA-N	298.773	4.329	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2ccccn2)cc1Cl	193742304	XXCUWDHEVYCESC-MDWZMJQESA-N	254.720	4.108	50	20	CIGD	
N#C/C(=C\c1ccsc1)C(=O)c1ccc(Cl)s1	588424899	PQWNLQLMQJDODI-WEVVVXLNSA-N	279.773	4.253	50	20	CIGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)CC(C)(C)C	728431197	NXRRSIJWWWXREC-PWZGHNGRSA-N	264.413	4.217	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C2CCCCCC2)c(C)c1	743763465	KXGMMPYANPKMLU-UHFFFAOYSA-N	274.408	4.025	50	20	CIGD	
O=C(CC1CCCC1)NN=C1CC[C@@H]2CCCC[C@H]2C1	749450685	ZNZCKBZLNWQVKE-GJZGRUSLSA-N	276.424	4.029	50	20	CIGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1cccc(Cl)c1	764666903	OQATYCVXBKGDID-AWEZNQCLSA-N	292.810	4.272	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776720067	GVZUUVNREXAFTH-VMDVGJCFSA-N	265.715	4.001	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc3c(c2)CCCC3)n1	792870242	PGPQLCVEWVYRKP-CXUHLZMHSA-N	280.396	4.395	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1ccc(Cl)cc1	834914673	BCKUQSBKSXTNAS-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
CC[C@@H](Cl)c1nc(O)c2cc(C(F)(F)F)sc2n1	841500899	PFXUXGCDVOVISW-RXMQYKEDSA-N	296.701	4.106	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)CC(C)(C)C)c1	921269916	PQRWCUPFLUOVPZ-OQLLNIDSSA-N	255.361	4.216	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	141198657	JFCNQTLEYXARGV-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
CC(CCC1CCCCC1)=NNC(=O)C1CCCC1	731925926	CBCYEYYGGODHOS-UHFFFAOYSA-N	264.413	4.029	50	20	CIGD	
Cc1cccc(C)c1/C=C(/C#N)c1nc(C)c(C)s1	755602624	WUWHVUMYJKXMEZ-ZSOIEALJSA-N	268.385	4.441	50	20	CIGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1c[nH]c2ccccc12	764657387	IQNKIQJJCNDZDB-ZDUSSCGKSA-N	297.402	4.100	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(Cl)c1F	794873854	HWTAXBIOWBHICR-FLIBITNWSA-N	279.742	4.391	50	20	CIGD	
CC(C)CCC(=NNC(=O)c1cc2ccccc2o1)C1CC1	802711275	QQPSYDZQRNXRSG-UHFFFAOYSA-N	298.386	4.365	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)NN=C2CC[C@@H]2C2CCC2)cc1	814742431	PGWJQWUDVTZJKR-MRXNPFEDSA-N	298.430	4.280	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc2ncccc12	871600007	YOEIQGBZZXDGSH-RVDMUPIBSA-N	278.355	4.147	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1	44028436	XNFRBKKEWJXVNZ-UVTDQMKNSA-N	297.379	4.245	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)C1	254382669	TUAKFMPZOMRWPK-ZDUSSCGKSA-N	286.419	4.280	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccsc2)c1C	255520421	LPUXTNANMOAAPJ-NVNXTCNLSA-N	267.353	4.155	50	20	CIGD	
FC(F)(F)C[C@@H](CBr)CC1CCC1	409423251	BAJXFFQTYNVPHL-QMMMGPOBSA-N	259.109	4.140	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)c1cnc2ccccc2n1	588601385	XXJCAQRJWAASIN-YHYXMXQVSA-N	297.770	4.409	50	20	CIGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc2cnccc12	748763282	VBDXOAPZDPOMKS-CQSZACIVSA-N	299.418	4.284	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ncccc1C(F)(F)F	794873843	HSOLQQVJUGVOPJ-NTMALXAHSA-N	296.292	4.013	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccccc1OC(F)F	918715702	QONRCFCSHITBBV-XYOKQWHBSA-N	293.313	4.200	50	20	CIGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1ccccc1	1093424	WEDNUCYPZKBHEL-DESBJYGPSA-N	259.308	4.033	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	178299494	YXPOCJAUEABPOR-MDWZMJQESA-N	288.416	4.323	50	20	CIGD	
C[C@H](O[C@@H]1CCCCC[C@H]1Br)C(F)(F)F	306231643	BJQAJAFVAZOZBX-DJLDLDEBSA-N	289.135	4.050	50	20	CIGD	
CC1(C)CCC(=NNC(=O)CCCc2ccccc2)CC1	735971699	RTKBLVGEHZLHKW-UHFFFAOYSA-N	286.419	4.082	50	20	CIGD	
CC[C@@H]1CCCC(=NNC(=O)c2cc3ccccc3o2)C1	749823724	PRNDZJOIUKPZQS-GFCCVEGCSA-N	284.359	4.119	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	753682198	DXFRLNKSIOORCZ-BJMVGYQFSA-N	268.143	4.125	50	20	CIGD	
CC(C(=O)NNc1cc(Cl)cc(Cl)c1)=C1CCCC1	791730774	FBZPTOVDLLFDNM-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC(CC(F)(F)F)CC1	792934631	ZQKNKKZXFDBDSY-UUASQNMZSA-N	294.320	4.215	50	20	CIGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccoc1	798229528	DWZLCMUSLGYXDG-WVLBTEBZSA-N	263.296	4.016	50	20	CIGD	
Cc1ccccc1[C@H](NC[C@@H](C)CBr)C1CC1	1320341501	BBLJRLLTASKMFQ-XHDPSFHLSA-N	296.252	4.067	50	20	CIGD	
N#C/C(=C/c1c(Cl)cccc1Cl)c1ccccn1	33856190	BZYWZSKVQGKCJK-NTMALXAHSA-N	275.138	4.453	50	20	CIGD	
CCC[C@H](CC)NC(=O)CCCC[C@H]1CCSS1	195149827	WFRHHMCAZXKJFQ-STQMWFEESA-N	289.510	4.395	50	20	CIGD	
N#C/C(=C/c1ccccc1F)C(=O)c1c[nH]c2ccccc12	207894212	GOBAABDZPKRXTQ-LCYFTJDESA-N	290.297	4.097	50	20	CIGD	
CC(C)(CBr)Cc1coc(Br)c1	307585389	LLQOSRBFDMHMCA-UHFFFAOYSA-N	296.002	4.006	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	735618949	HOZWTKFKFVZWDY-ZROIWOOFSA-N	291.329	4.383	50	20	CIGD	
CC(C)c1ccc(-n2ccnc2SC/C=C/C#N)cc1	763297488	FZHRYKUWBWGMFM-ONEGZZNKSA-N	283.400	4.168	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1ccccc1	779221136	OMQPMMJUEGZPBK-IZZDOVSWSA-N	273.744	4.191	50	20	CIGD	
CCCN(N=Cc1ccccc1Cl)C(=O)OC(C)(C)C	794998469	NOYXOJWZFIHOBH-UHFFFAOYSA-N	296.798	4.321	50	20	CIGD	
ClCc1nnc(-c2sc3ccccc3c2Cl)o1	20285289	BGGFDGVIYZPBLB-UHFFFAOYSA-N	285.155	4.344	50	20	CIGD	
C[C@H](CBr)Cc1ccccc1Br	84192540	BOMDRVCRHFHCQQ-QMMMGPOBSA-N	292.014	4.023	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2sccc2C)s1	105571012	PZEVIKFVVIMXCZ-YRNVUSSQSA-N	273.382	4.216	50	20	CIGD	
Cc1ccccc1NNC(=O)c1ccc(Cl)c(Cl)c1	192735898	MFFVIZKSSOUKMO-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(F)cc2Cl)n1	255365927	VBBVOEOYAUWWEP-WMZJFQQLSA-N	278.739	4.308	50	20	CIGD	
CCCN(N=C(C)CCCCC#N)C(=O)OC(C)(C)C	496136333	ZHUKUPCEZCPZQV-UHFFFAOYSA-N	281.400	4.093	50	20	CIGD	
Cc1ccccc1NC(=O)NN=CC1CCCCCC1	741839871	VFYRWPVOADRYDM-UHFFFAOYSA-N	273.380	4.073	50	20	CIGD	
Cc1cccc([C@H](C)C(=O)NNc2c(C)cc(C)cc2C)c1	743761796	BHXIKUOFHPWPHI-INIZCTEOSA-N	296.414	4.167	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(Cl)nc2)c1C	748998127	NTGJOBHDUVPMBZ-RIYZIHGNSA-N	296.757	4.142	50	20	CIGD	
O=C(CCc1ccccc1)NN=C1CC[C@H]2CCCC[C@H]2C1	749745533	QOWVGSJITFHGQT-SJORKVTESA-N	298.430	4.082	50	20	CIGD	
CCCN(N=C[C@H](C)C(C)(C)C)C(=O)OC(C)(C)C	794992589	DYZHNOXCYKGPIN-LBPRGKRZSA-N	270.417	4.302	50	20	CIGD	
CCc1nocc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	834441136	AJBWFHDDJWIVNY-UXBLZVDNSA-N	287.388	4.055	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc([C@H]2C[C@@H]2C)o1	8117729	BXVVQRQBXRWGIO-SKPCNXEESA-N	281.311	4.094	50	20	CIGD	
Clc1cccc(CO[C@H]2CCC[C@H]2Br)c1	83473520	CFZGIOYPMDTEOL-NEPJUHHUSA-N	289.600	4.173	50	20	CIGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)c1ccsc1	178865565	VQWYUCVMTDXWNW-VZUCSPMQSA-N	291.734	4.330	50	20	CIGD	
CC1=CC(=NNC(=O)c2c[nH]c3ccccc23)CC(C)(C)C1	252512700	UXHKIKSTCDGVNT-UHFFFAOYSA-N	295.386	4.020	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1F	741470882	WYXRBMDRLFTHJS-OJLMPMFISA-N	259.324	4.046	50	20	CIGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	742347214	WMCGTHGNRFTEDQ-UKTHLTGXSA-N	290.322	4.168	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1ccccc1	746522228	MFQVFQJUUFMSPU-UVTDQMKNSA-N	273.291	4.223	50	20	CIGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1ccccc1	771840507	ZUGSLNAUYDTUPS-IZZDOVSWSA-N	273.744	4.191	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccsc2Cl)cc1	790101400	YEEBUFBJSMPIBC-MDWZMJQESA-N	287.771	4.500	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1ccccc1F	810209636	HDARVUUHJXXIKL-RAXLEYEMSA-N	291.281	4.362	50	20	CIGD	
N#C/C(=C/c1cccc(C#N)c1)c1cc(C(F)(F)F)ccn1	812246413	LCSDGNZAHZENTI-QPEQYQDCSA-N	299.255	4.036	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc3c2OCC3)n1	899343887	GKQVNVJIXWESFZ-RIYZIHGNSA-N	296.395	4.266	50	20	CIGD	
Clc1cccc(CO[C@@H]2CCC[C@@H]2Br)c1	83473515	CFZGIOYPMDTEOL-NWDGAFQWSA-N	289.600	4.173	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	193344611	OPUFAWMZDAUQBA-YHYXMXQVSA-N	268.143	4.125	50	20	CIGD	
CC1=CC(=NNC(=O)c2cccc3ccccc23)CCC1	741465385	HJEIFAYKNAZUHU-UHFFFAOYSA-N	278.355	4.056	50	20	CIGD	
N#C/C(=C\c1ccccc1-c1ccccc1)c1ccncn1	758914911	IWVSOSYSLSQJPW-SFQUDFHCSA-N	283.334	4.208	50	20	CIGD	
CC(C)c1ccoc1C(=O)NNc1cccc2c1CCCC2	786427840	VAEJEAHXFFOCAE-UHFFFAOYSA-N	298.386	4.039	50	20	CIGD	
CC(C)C(CCc1ccccc1)=NNC(=O)OC(C)(C)C	917531438	RIKGIHNPHCUNCH-UHFFFAOYSA-N	290.407	4.156	50	20	CIGD	
C=CC[C@H](C)C(C)=NNC(=O)c1ccc2ccccc2c1	727778518	KTPWXEFZJIKIQW-ZDUSSCGKSA-N	280.371	4.158	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863185084	ULCIEKGGMINZDG-WMZJFQQLSA-N	287.306	4.289	50	20	CIGD	
Cc1cc(NNC(=O)c2occc2C(C)C)ccc1Cl	928339395	DSSLELJESWOPAL-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)c(C)c1	8201851	OYYDKFJRCAIFLR-XNTDXEJSSA-N	279.314	4.232	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(Cl)c1	8237953	ROGSPBHFDSZDIP-KPKJPENVSA-N	271.703	4.031	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1	11297337	VSCDFEBIZANFAL-OQLLNIDSSA-N	281.742	4.438	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	44027985	ATMXEABDNYWCEV-OQLLNIDSSA-N	267.353	4.100	50	20	CIGD	
Cc1cccnc1NC(=O)CCCC[C@@H]1CCSS1	69190371	JZUZBPUDDIVPBA-GFCCVEGCSA-N	296.461	4.043	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2)n1	255121593	XNJNDKWLLZINLO-MDWZMJQESA-N	254.358	4.331	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1	756746424	ZRNBIYHCRSREQK-BZUAXINKSA-N	286.419	4.045	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)ccc2C)cc1	764892345	WGHNLNLDGZXOLU-SXGWCWSVSA-N	279.314	4.232	50	20	CIGD	
CC[C@@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1Cl	916360182	JVHQUCVEGBSWEJ-MRVPVSSYSA-N	287.190	4.145	50	20	CIGD	
C[C@H](Oc1ccccc1NC(=O)CCl)c1ccccc1	1320466283	VZPBNFHCEUGCDT-LBPRGKRZSA-N	289.762	4.004	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccccc3s2)c1	127470459	HLKPMQYEAQOVSI-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1ccsc1	179325685	UEQNKZPAKQSZML-RIYZIHGNSA-N	267.353	4.155	50	20	CIGD	
CC(C)c1[nH]nc(-c2cccs2)c1CCCl	409441983	WAEGMDSEMCFQJZ-UHFFFAOYSA-N	254.786	4.043	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1	727973875	BCLOLSYLSKGSMF-QVIVLVACSA-N	297.276	4.107	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc(Cl)c1F	759641975	FUYBMJUCVJEBEN-YRNVUSSQSA-N	279.742	4.391	50	20	CIGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1c[nH]c2ccccc12	769568175	YYKVMXLXMFDALK-OLZOCXBDSA-N	297.402	4.100	50	20	CIGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)C1CCCC1	781552622	BCFWOXYTAAUUDT-WJDWOHSUSA-N	283.371	4.140	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccsc2)c(C)c1	44027988	PDVKFFQSLDYIIA-OVCLIPMQSA-N	267.353	4.155	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1F	171510719	SCVIRFMCCKCRKV-NTEUORMPSA-N	283.277	4.063	50	20	CIGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)CC(C)(C)C	728428933	NYWGRIWGXDHOKK-UHFFFAOYSA-N	288.435	4.283	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)s1	731155922	WTDBQSOAENHECO-JLHYYAGUSA-N	296.395	4.165	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C)c(F)c1	731490403	WQNVCAGOMLFBGR-ZSOIEALJSA-N	259.324	4.046	50	20	CIGD	
O=C(CCCC1CCCCC1)NNc1c(F)cccc1F	735694340	MAJBXEBFIQGZIN-UHFFFAOYSA-N	296.361	4.159	50	20	CIGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	742347213	WMCGTHGNRFTEDQ-LCYFTJDESA-N	290.322	4.168	50	20	CIGD	
CCOC(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	744834538	QYWGRWZDFSJLKE-CLFYSBASSA-N	291.759	4.025	50	20	CIGD	
Cc1ccc(CN(C)/C(=C/C#N)c2ccc(F)cc2)s1	750794718	CRFPIVLFAZXNDG-CXUHLZMHSA-N	286.375	4.192	50	20	CIGD	
CC[C@H](Cl)c1nc(O)c2c(n1)sc1ccccc12	780155199	XXHISKDDCLMADX-QMMMGPOBSA-N	278.764	4.240	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc3ccccc3c2)[C@@H](C)C1	783832505	KEHSKJQDDPAXNI-KBPBESRZSA-N	294.398	4.382	50	20	CIGD	
Cc1ccc(F)c(/C=C(/C#N)c2cnc3ccccc3n2)c1	790231074	LNJIKWKEVVDCQH-ZROIWOOFSA-N	289.313	4.142	50	20	CIGD	
CCc1onc(C)c1/C=C(/C#N)c1nc(C(C)C)cs1	899361120	VCBLOENRXGRAAA-WDZFZDKYSA-N	287.388	4.190	50	20	CIGD	
CC(C)Cc1nnc(CCCC[C@@H]2CCSS2)o1	1256438270	MLSRUOWTTLWUAV-LLVKDONJSA-N	286.466	4.135	50	20	CIGD	
Cc1ccc([C@H](CBr)OCCC(C)C)cc1	50481048	ZEOBJFRFNSKDQN-AWEZNQCLSA-N	285.225	4.494	50	20	CIGD	
Cc1cnccc1NC(=O)CCCC[C@H]1CCSS1	107288649	QGJIGTVGHGUHEN-LBPRGKRZSA-N	296.461	4.043	50	20	CIGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1cccc(F)c1	195229327	RBQUHKDAJKMWEN-YHYXMXQVSA-N	291.734	4.330	50	20	CIGD	
CCCC(=NNC(=O)c1ccccc1F)C1CCCCC1	727777295	OMTUMPXDCBDHPM-UHFFFAOYSA-N	290.382	4.292	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccsc2)s1	731156506	GNBFOHCROBWBCE-YRNVUSSQSA-N	273.382	4.162	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@@H](C)c2ccccc2)c(C)c1	743762455	WWTWOJHHNXACQO-CQSZACIVSA-N	296.414	4.249	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	755407417	VQNZLIVNSDPTJJ-VKRGWIQLSA-N	299.267	4.367	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(C)oc2C)c1	767886144	FMYFTACOJYZOOJ-MFOYZWKCSA-N	279.339	4.303	50	20	CIGD	
COC(=O)N(C)N=Cc1c2ccccc2cc2ccccc12	794964326	QLKRKKNUQINLEH-UHFFFAOYSA-N	292.338	4.025	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1Cl	863188223	QMQFVAUSENCPBA-JYRVWZFOSA-N	289.762	4.015	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc2ncccc2c1	1115813193	TXJVYNWHBXKZQJ-SFQUDFHCSA-N	298.345	4.333	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccccc2Cl)n1	33409317	OYKUVTBTVBRVPE-WDZFZDKYSA-N	260.749	4.169	50	20	CIGD	
N#C/C(=C/c1ccco1)C(=O)c1c(Cl)cccc1Cl	48639720	PJFAMBFZXWIQHM-CLFYSBASSA-N	292.121	4.376	50	20	CIGD	
CC1CCC(CBr)(OC2CCCC2)CC1	50480435	JXIUEOLLJWXCFP-UHFFFAOYSA-N	275.230	4.289	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1csc2ccccc12	73692758	SEXYVTSZLWDEMR-DHZHZOJOSA-N	269.369	4.423	50	20	CIGD	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)s1)C(=O)O	210009033	PBTZGKGPNQROCL-YFHOEESVSA-N	289.743	4.060	50	20	CIGD	
CC[C@H](CC1CCCC1)C(=O)NNc1c(F)cccc1F	735697726	CFEDJCAEXWFALC-GFCCVEGCSA-N	296.361	4.014	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	794873959	IJFGQCXLHFHWPT-XFFZJAGNSA-N	279.742	4.391	50	20	CIGD	
Cc1ccccc1NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1	824114444	WRMLRGGYOIHGPV-DLBZAZTESA-N	294.398	4.022	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Cl)c(OC)c1	863185442	ZZRKXIJEYGPPIH-JYRVWZFOSA-N	291.778	4.261	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1	111680211	SYPBWXWYQBUFKW-UVTDQMKNSA-N	296.757	4.194	50	20	CIGD	
CC[C@@H](NC[C@@H](C)CBr)c1ccc(C)cc1	381446087	FVPZTTQINCNABS-GXTWGEPZSA-N	284.241	4.067	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)cc2F)n1	588541896	WZZMQMGLMRVVSN-WMZJFQQLSA-N	278.739	4.308	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	726430343	YCTWRXRRMLHPJZ-JMRXEAOASA-N	293.366	4.371	50	20	CIGD	
CCN(C[C@@H](C)CBr)c1ccc2[nH]ccc2c1	788281524	KSQIMWOOLLEMNI-NSHDSACASA-N	295.224	4.025	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)CC(C)(C)C)c1F	834417081	CORJPNBLFNAWAC-JYRVWZFOSA-N	259.324	4.046	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccsc2)c1	49391290	QRDYPLYGQZJFAF-NVNXTCNLSA-N	267.353	4.155	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)c2sccc2C)c(C)o1	162504198	LVTRUIYWUXWASD-QPEQYQDCSA-N	271.341	4.056	50	20	CIGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccco2)cc1	211680954	YSPFBHXCVWUKAP-WZMONFQBSA-N	294.354	4.339	50	20	CIGD	
CCC(=NNC(=O)c1ccc(CC)cc1)C1CCCCC1	750922277	LDLFLNNOMVQBFW-UHFFFAOYSA-N	286.419	4.325	50	20	CIGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)C1CCCC1	781552595	AFAPTPBLNDSKAL-KPKJPENVSA-N	277.726	4.145	50	20	CIGD	
CC(C)n1nccc1/C=C(\C#N)c1ccc2ccccc2n1	794937401	ILWBRLFVQJVTMK-RVDMUPIBSA-N	288.354	4.076	50	20	CIGD	
Fc1ccc([C@@H](CBr)OC2CCCC2)cc1	50480443	KBIBFIFJMYZKOR-CYBMUJFWSA-N	287.172	4.221	50	20	CIGD	
COCc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)o1	130377774	FMMDJNCHUJPLNQ-WDZFZDKYSA-N	288.372	4.070	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1	726428342	KGEVFEKEALHPOI-CUGSXPSBSA-N	253.345	4.155	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(F)c(F)c1F	853005207	ZBKSHTRKKZVPTR-UXBLZVDNSA-N	281.277	4.016	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2sccc2C)c1	44028420	IRFOHMSCAFGXFT-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1ccccc1	749524117	PQFLRQLNPKLSPL-HNNXBMFYSA-N	274.408	4.126	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@H](c2ccccc2)C1	750793659	AMMDGBMFKKCUQG-KLSKMWHSSA-N	292.357	4.180	50	20	CIGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1	752891285	SYWQBYICURHJCM-GDNBJRDFSA-N	279.339	4.367	50	20	CIGD	
N#C/C(=C/c1cncs1)C(=O)c1cc2ccccc2s1	788360559	LERKQLSYRHURDG-WZUFQYTHSA-N	296.376	4.148	50	20	CIGD	
Cc1cccc(NNC(=O)c2cc3cccc(C)c3s2)c1	809588683	AKNXRYMNEIHYOX-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
BrCCC[C@@H]1CCCc2ccccc21	82583169	GEDNRYKUXULWCS-LBPRGKRZSA-N	253.183	4.282	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)n1	105392148	HVIGSGHMGWAWRP-AUWJEWJLSA-N	296.395	4.229	50	20	CIGD	
O=C(CCCc1ccccc1)NN=CC1CCCCCC1	741842224	HPJXHNUZDAKVQC-UHFFFAOYSA-N	286.419	4.082	50	20	CIGD	
C[C@@H](CC(=O)NNc1cccc(Cl)c1)C1CCCCC1	751314248	BFIYOMHDWPXXEX-LBPRGKRZSA-N	294.826	4.390	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	767714065	ODCCYAOETHLVJT-WMZJFQQLSA-N	281.277	4.016	50	20	CIGD	
CC1=C(C)CN(C(=O)CCCC[C@@H]2CCSS2)CC1	796468021	SPPIOPYPHNNFNE-CQSZACIVSA-N	299.505	4.269	50	20	CIGD	
COc1ccc2cc(/C=C(/C#N)c3ccccn3)ccc2c1	69008263	BOFSKGPJIUACFX-BOPFTXTBSA-N	286.334	4.308	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(C3CCC3)cc2)cc1	192002840	WLYRBCXCNFASFU-UHFFFAOYSA-N	280.371	4.019	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccco1	212646990	WEKZSZDMBXUEFH-BDXDCFHCSA-N	263.296	4.016	50	20	CIGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)CCC(C)(C)C	755570596	GTWZVJVXDWSPKM-NSHDSACASA-N	280.387	4.040	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)CC(C)C	767351680	IIHABWTYAAQNOP-MDWZMJQESA-N	261.752	4.171	50	20	CIGD	
C[C@@H](CBr)CN1CCCC[C@H]1c1ccccc1	770669577	ZQKQADQEHGOMJK-ZFWWWQNUSA-N	296.252	4.245	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794874408	YPKQRTILZINBRR-MDWZMJQESA-N	287.265	4.316	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)c(C)c1	899360387	LVCVIBGJGLYXIJ-ZSOIEALJSA-N	284.384	4.141	50	20	CIGD	
N#CC(C#N)=CNc1ccccc1Sc1ccccc1	15240763	TXWRMRGGUSQRRM-UHFFFAOYSA-N	277.352	4.181	50	20	CIGD	
CC(CCC(C)C)=NNC(=O)c1cccc2ccccc12	741463102	YXAILBSOGZRXTR-UHFFFAOYSA-N	282.387	4.382	50	20	CIGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc(Cl)c(F)c1	746700383	SBAMOIYLZCKUFZ-SNVBAGLBSA-N	298.789	4.139	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C\c1cccc([N+](=O)[O-])c1	787170409	VYVALUMTNQVCBN-JDGYGMLTSA-N	298.342	4.063	50	20	CIGD	
CCCN(N=Cc1cccc(C)c1C)C(=O)OC(C)(C)C	794996284	FYSAMFJHRZHPGU-UHFFFAOYSA-N	290.407	4.284	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1Cl)c1nc2ccccc2[nH]1	178296399	SGFPSBNEPURHJK-YRNVUSSQSA-N	297.720	4.420	50	20	CIGD	
C=C[C@@H](CC(=O)NNc1cc(C)ccc1C)c1ccccc1	179487741	IXGAPFNSDCWRTO-INIZCTEOSA-N	294.398	4.106	50	20	CIGD	
Cc1cc(/C(C#N)=C/c2cccnc2Cl)ccc1[N+](=O)[O-]	180572882	BEABEJDVIBSUQQ-MDWZMJQESA-N	299.717	4.016	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Br)s1	263660846	JURYBQPYAPAZRI-CYXIBPNKSA-N	298.205	4.033	50	20	CIGD	
C=CCC(CC=C)C(=O)NNc1cc(Cl)ccc1Cl	759094620	LPQRFSGYOFGMCI-UHFFFAOYSA-N	299.201	4.205	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C)cc2C)cc1	764885105	HFTZNOIXYBJNQO-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
C[C@@H]1CC[C@H](NC(=O)CCCC[C@H]2CCSS2)C1	781089124	QMOPLMRKXXELMC-AGIUHOORSA-N	287.494	4.005	50	20	CIGD	
N#C/C(=C/c1ccsc1C(F)(F)F)C(=O)C1CCCC1	863187593	BOGOFJUSEJHKEM-XFFZJAGNSA-N	299.317	4.433	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1OC(F)F	172692531	VDYNHQOMQSDIGE-GJSJWPQCSA-N	293.313	4.200	50	20	CIGD	
O=C(C[C@H]1C=CCC1)NN(c1ccccc1)c1ccccc1	302593286	NPPALLGUPNWHEY-INIZCTEOSA-N	292.382	4.212	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1C	741474896	UBHJIHJBQHFVIS-RLIURORJSA-N	259.324	4.046	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@H](c2ccccc2)C1	750793658	AMMDGBMFKKCUQG-KCBNLNMNSA-N	292.357	4.180	50	20	CIGD	
Cc1cccc(NNC(=O)C2(CC(C)C)CCCC2)c1	755688767	KHTXPDHOUINGTL-UHFFFAOYSA-N	274.408	4.045	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@H](c2ccc(F)cc2)C1	755996749	ULFFKRNKTKRJMF-AEUYPJEVSA-N	292.357	4.180	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1C	764892705	YIHBABOECUOSCG-WOJGMQOQSA-N	292.382	4.223	50	20	CIGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)C1CCCCC1	767736454	LDKANRQNKFKQDA-ATVHPVEESA-N	290.366	4.291	50	20	CIGD	
Cc1cccc(NC(=O)NNc2cccc(Cl)c2)c1C	775406002	JSDBFOQVIZUGJH-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC	794874580	MELQTBDKFSAXPW-XYOKQWHBSA-N	291.778	4.261	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NCC1=CCCCC1	833343002	CQWRSRFSFOSVEI-CQSZACIVSA-N	299.505	4.317	50	20	CIGD	
CCn1cccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	840734927	LERHTRYNPLHLTR-FMIVXFBMSA-N	285.416	4.326	50	20	CIGD	
F[C@@H]1CCC[C@@H](NCc2ccc(OCCCCl)cc2)C1	1332453288	VSGDCJVWWYZZCC-HUUCEWRRSA-N	299.817	4.065	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)CC(C)(C)C	131111495	HNPVXBDTYUOGGP-JYRVWZFOSA-N	259.324	4.046	50	20	CIGD	
C[C@H]1CCCCC1=NNC(=O)c1ccc(Cl)cc1Cl	254378454	GTLASNPGDAAEQP-VIFPVBQESA-N	299.201	4.289	50	20	CIGD	
CC(C)Cn1nc(-c2cccs2)cc1CCl	409443313	LBYKYCFJMNDPFI-UHFFFAOYSA-N	254.786	4.006	50	20	CIGD	
CC(C)C(C)(C)NC(=O)CCCC[C@H]1CCSS1	728031194	RSLKKBAKAHMJDS-LBPRGKRZSA-N	289.510	4.251	50	20	CIGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc2ccccc2n1C	750896244	OSUNCBVCUWDMBF-UVTDQMKNSA-N	291.329	4.085	50	20	CIGD	
CCCCC[C@@H](CC)C(=O)NNc1cccc(C)c1	776222399	KPIIASCFZPBTHK-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccsc1Cl	790100928	ULGCDSXCFRLKDY-UXBLZVDNSA-N	277.732	4.093	50	20	CIGD	
CC(C)Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1	834447582	OQFLTKUSBSCERN-XNTDXEJSSA-N	273.351	4.109	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C2CC2)cc1	840715333	ALXJFHLLHKSIRB-KPENOIPVSA-N	253.345	4.086	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	918713822	OCNVLDWPRPKEJU-XNTDXEJSSA-N	255.361	4.161	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CCC2(CC1)CC2	377592614	DXGLYKZADHZPCC-ZDUSSCGKSA-N	299.505	4.103	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)c1ccsc1	588541732	RSVSIZIIYYHYLO-WZUFQYTHSA-N	291.734	4.330	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccccc2)c1C	731155968	XMMURQGZIWEXLS-BOPFTXTBSA-N	261.324	4.093	50	20	CIGD	
Cc1csc(/C(C#N)=C/C=C/c2ccc(F)cc2F)n1	797406623	VUMGORCSKHTBJA-TWKNZMHGSA-N	288.322	4.350	50	20	CIGD	
N#C/C(=C\c1ccc(C#N)cc1)c1cc(C(F)(F)F)ccn1	812248249	HYICULJTEJAWRT-NTUHNPAUSA-N	299.255	4.036	50	20	CIGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1cc2ccccc2o1	853316141	IQQCSNIGKKHWIM-ZDUSSCGKSA-N	296.370	4.285	50	20	CIGD	
C[C@@H](CC(=O)NNc1cccc(Cl)c1)CC(C)(C)C	917006144	OJHQMOWYIRKOLP-NSHDSACASA-N	282.815	4.246	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc3ccccc3n2C)c1	6516805	BBEINQFIWVTFQV-LFIBNONCSA-N	287.366	4.254	50	20	CIGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCC1	129559665	FXFIIXGJYUFHDS-WCQYABFASA-N	287.494	4.005	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Cl)c(C)c2)c1	159097760	YPXDTZKLNVIAEU-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(C#N)c2)n1	176917596	NUPJAIFHOQTUIE-VGOFMYFVSA-N	279.368	4.202	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccsc1	195174972	SSICFYWHKYANJH-XMHXKSDUSA-N	279.364	4.484	50	20	CIGD	
C[C@@H]1CC[C@@H](OC(C)(C)CBr)C[C@H]1C	253122254	JDORXEROAOVTCY-GMTAPVOTSA-N	263.219	4.001	50	20	CIGD	
CC[C@H]1CCCC(=NNC(=O)c2cc3ccccc3o2)C1	749823725	PRNDZJOIUKPZQS-LBPRGKRZSA-N	284.359	4.119	50	20	CIGD	
N#C/C=C(\c1ccccc1)N1CC[C@@H](c2ccccc2F)C1	750799594	ANQMOIGURJUNDO-MWJIIQFGSA-N	292.357	4.180	50	20	CIGD	
CN(Cc1ccc(OCCCCl)cc1)C1CCCC1	811455210	ZDKSXKFBVCZHIL-UHFFFAOYSA-N	281.827	4.069	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	11297332	SDEADCKLSFPRLF-OQLLNIDSSA-N	281.742	4.438	50	20	CIGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CC=CCC1	36725143	DWOGYFPMMKAARH-MRXNPFEDSA-N	292.382	4.212	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	171019389	KEEXWUFPMZPSID-MDWZMJQESA-N	293.313	4.200	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)c1cnc2ccccc2n1	191356303	AXESTKBOQATJRJ-NTEUORMPSA-N	289.313	4.142	50	20	CIGD	
CC[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	747643367	GWGILKPULZXLQU-JTQLQIEISA-N	296.773	4.165	50	20	CIGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)Nc1ccccc1	750818054	NWDVVBDWCOILEK-FOWTUZBSSA-N	288.350	4.110	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cc(F)cc(F)c2)sc1C	755600760	KKZRLLWOZKFBTG-JYOAFUTRSA-N	276.311	4.102	50	20	CIGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)C1CCCCC1	767713889	NANLHQRKIOXHIM-LCYFTJDESA-N	275.298	4.021	50	20	CIGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)C1CCCCC1	767715535	XHDAFJKSWRHHKT-MDWZMJQESA-N	286.400	4.077	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	768472157	HETWMQCHXJKRMZ-JVVDOCDTSA-N	290.366	4.271	50	20	CIGD	
CCOc1ccc(NNC(=O)CCCCC(C)(C)C)cc1	817885974	RAYKMWAEGSNTTQ-UHFFFAOYSA-N	292.423	4.135	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@@H](c2ccc(F)cc2)C1	755996753	ULFFKRNKTKRJMF-KLSKMWHSSA-N	292.357	4.180	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)CCC(C)(C)C	771706954	LXOXUUJSZDDJHP-LBPRGKRZSA-N	280.387	4.040	50	20	CIGD	
CCCN(N=C[C@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C	794993516	YELIHFCJUHEFKQ-UONOGXRCSA-N	282.428	4.446	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(F)ccc(F)c1Cl	863184610	NKZYHPXLFXTRCZ-HWPCKVLBSA-N	283.705	4.140	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2c(F)cccc2Cl)n1	96843805	KENTWOFOONICNO-UITAMQMPSA-N	278.739	4.308	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2cc(F)c(F)c(F)c2)sc1C	125421772	SGHLMZISKMOULJ-KMKOMSMNSA-N	294.301	4.241	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)ccc2F)s1	170933471	YZGLPRGNAXDZMM-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2sccc2C)c1C	255671617	DEXBELIYCGFVMW-DHDCSXOGSA-N	298.411	4.285	50	20	CIGD	
CCc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)s1	731155321	DNUCOQHWIBRMRD-LUAWRHEFSA-N	279.368	4.251	50	20	CIGD	
O=C(NNc1cc(Cl)ccc1Cl)C1=CCCCCC1	775885313	XYRVWCXIGNPABG-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
CC1(CCNC(=O)CCCC[C@H]2CCSS2)CC1	792493811	HGZATZMHXANFMK-LBPRGKRZSA-N	287.494	4.007	50	20	CIGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1c[nH]c2ccccc12	853259550	IGOSQKGDOXQEFQ-ZDUSSCGKSA-N	295.386	4.020	50	20	CIGD	
CC1(C)CCCCC1=NNC(=O)c1ccccc1Cl	1322495583	PRVLOFUPYPUFSM-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	194540931	XWINRMJZNHZZNL-MKMNVTDBSA-N	283.277	4.063	50	20	CIGD	
CCC(=NNC(=O)c1cc2ccccc2o1)c1cccs1	749818359	VAMZRBIPRBHJBF-UHFFFAOYSA-N	298.367	4.038	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccccc1C1CC1	750817378	DWOJFWWQABHKOD-XNTDXEJSSA-N	267.372	4.476	50	20	CIGD	
N#C/C(=C\c1sc2ccccc2c1Cl)c1ccncn1	758909085	BHXUDCVXFMULOS-JXMROGBWSA-N	297.770	4.409	50	20	CIGD	
N#C/C(=C/c1ccc(OCCCCl)cc1)c1ccccn1	811685221	MHULNSZZHRRSTO-QINSGFPZSA-N	298.773	4.153	50	20	CIGD	
CC(C)c1cccc(C=NN(C)C(=O)OC(C)(C)C)c1	853292000	MQLXQSHAMUAHSZ-UHFFFAOYSA-N	276.380	4.011	50	20	CIGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cc(C)cs1	863155795	YTTKSJYIHWJJDW-GFCCVEGCSA-N	278.421	4.133	50	20	CIGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1ccccc1	916136872	ALMPOVAUFHQBJS-SFQUDFHCSA-N	284.318	4.025	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	48625299	DWVRSHLZULIHMW-KMKOMSMNSA-N	268.143	4.125	50	20	CIGD	
COc1cccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c1	124820333	BWQKSQFCODXHQO-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(C)cc1	184840952	IJADQAXKIJQJLB-SFQUDFHCSA-N	291.350	4.184	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC2(CC1)CC2	377592613	DXGLYKZADHZPCC-CYBMUJFWSA-N	299.505	4.103	50	20	CIGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cccc(C)c1	734092327	KRWPIFLHPQDOHC-HNNXBMFYSA-N	274.408	4.045	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	735619744	QQGBVIYQPWHKCD-XNTDXEJSSA-N	273.339	4.244	50	20	CIGD	
CC(C)(NC(=O)CCCC[C@H]1CCSS1)C1CC1	741712332	MGXQCGRVHBBHKT-LBPRGKRZSA-N	287.494	4.005	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741844279	RCTCHTGISOIFRT-LCYFTJDESA-N	285.318	4.484	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cc2ccccc2o1	749822947	FUAKBGMWVDLVBY-GFCCVEGCSA-N	286.375	4.365	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@H](c2ccccc2)C1	750794787	KJBFDYDWOVPKPS-FUDBJYBQSA-N	274.367	4.041	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1C1CC1	751037814	NYUOLEVURSWISU-KWWJGWKXSA-N	267.372	4.476	50	20	CIGD	
Cc1cccc([C@@H]2CCCN2C[C@H](C)CBr)c1	770647969	NSJSVNMBMBZAGD-HIFRSBDPSA-N	296.252	4.163	50	20	CIGD	
Cc1ccc(NC(=O)NNc2ccc(Cl)cc2)cc1C	778219737	LVZOOLNODCWQSS-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)/C=C(/C)c1ccccc1	799759260	KYGMQTGZKKTYGV-SQFISAMPSA-N	294.398	4.104	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc2ccccc2o1	918733096	HUTMFDQUEDDTLD-UKTHLTGXSA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C\c1cccs1)c1ccc2ccccc2n1	42649932	LWKNNUDOOVJLPP-JLHYYAGUSA-N	262.337	4.360	50	20	CIGD	
Fc1ccc([C@H]2CCC[C@@H](Br)C2)cc1F	70794773	KXMLSCBTTOPGBG-WCBMZHEXSA-N	275.136	4.386	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)ccc2F)s1	105570554	YZGLPRGNAXDZMM-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	128085588	UIFXWLTXYDKQDT-XFFZJAGNSA-N	299.317	4.431	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	277505886	VXPSWWNGEIMONJ-FKVCUQLRSA-N	297.185	4.301	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C)c2C)s1	731159440	QYRXLCLKOKNKKK-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
N#CC(C#N)=Cc1ccc(Oc2cccc(F)c2)cc1	766289774	RWVABODKCGVZKE-UHFFFAOYSA-N	264.259	4.049	50	20	CIGD	
ClCCCOc1ccc(CN2CCC[C@H]2C2CC2)cc1	811462462	YZZWOBLVDQHZTI-KRWDZBQOSA-N	293.838	4.069	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)s1	1116008788	GUHCGRKLJWJVHM-RAXLEYEMSA-N	281.380	4.409	50	20	CIGD	
Cc1ccc(Cl)cc1C(=O)NNc1cccc(Cl)c1	123247227	CTLAXTUNGAISFF-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	213933736	HOGPOGNUFBODFU-GDNBJRDFSA-N	255.361	4.332	50	20	CIGD	
C[C@](CBr)(CCOCc1ccccc1)C1CC1	306651577	GFGNCXIUPZOVDS-OAHLLOKOSA-N	297.236	4.405	50	20	CIGD	
COc1ccsc1/C=C(/C#N)c1ccc2ccccc2n1	764431639	DJUBLTVPCQIMHW-RAXLEYEMSA-N	292.363	4.369	50	20	CIGD	
CCC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCC1	780806319	JSGIJYPBPIYLBP-UHFFFAOYSA-N	274.408	4.008	50	20	CIGD	
C=CCCC(CCC)=NNC(=O)c1cccc2ncccc12	814841778	WUHCXNIHIAVPAE-UHFFFAOYSA-N	295.386	4.087	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1C	871598840	BLPHNZZQPAWSHB-UVTDQMKNSA-N	289.350	4.008	50	20	CIGD	
CC(C)(C)C[C@H](NC(=O)CCl)c1ccc(Cl)cc1	1336910005	MBQUIPDMOHYHBS-LBPRGKRZSA-N	288.218	4.172	50	20	CIGD	
C[C@@H](c1ccccc1)N(C)C(=O)C1CCC(Cl)CC1	1346115290	HAOPPFHNMHEOKN-GRTSSRMGSA-N	279.811	4.004	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cscc1Br	284936702	CJUDHSJYFKDZEQ-RUDMXATFSA-N	298.205	4.033	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F	726428977	QVCUHZIGZJMBLH-ZDIKFAODSA-N	297.276	4.107	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1C	731156598	HXGWAIUBDURLCH-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
CC[C@@H](C(=O)NN=C[C@@H](C)c1ccccc1)c1ccccc1	731931963	VDGXMLAYRWFAMT-CRAIPNDOSA-N	294.398	4.086	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	747689909	APJOMVKVWPUHMT-RFRKOGIWSA-N	290.366	4.271	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2)cc1C	809147285	ZXVVLTQUAWJCGZ-YBEGLDIGSA-N	279.314	4.232	50	20	CIGD	
O=C(N[C@H]1CCCc2sccc21)C1CCC(Cl)CC1	1346580873	VTWQDZSGZVTYAE-XIVSLSHWSA-N	297.851	4.039	50	20	CIGD	
CC[C@H](CBr)CCCOCc1ccccc1	307095313	OTHQWFWVBPHSQL-ZDUSSCGKSA-N	285.225	4.405	50	20	CIGD	
CC[C@H](C)C(=O)NN=Cc1cccc(-c2ccccc2C)c1	729637793	VELLOXKUGCKCCU-AWEZNQCLSA-N	294.398	4.158	50	20	CIGD	
C[C@H](CC(=O)NNc1cccc(Cl)c1)C1CCCCC1	751314244	BFIYOMHDWPXXEX-GFCCVEGCSA-N	294.826	4.390	50	20	CIGD	
CC(C)c1ccc(CC=NN(C)C(=O)OC(C)(C)C)cc1	760251444	XACDSKZFOVTDBM-UHFFFAOYSA-N	290.407	4.205	50	20	CIGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)[C@@H](C)CC	767351667	HVTLMFBWLYUWSN-AOHITCTBSA-N	285.387	4.388	50	20	CIGD	
Cc1cccc(NNC(=O)c2cc(Cl)ccc2Cl)c1	120673452	XKTYUYZKZBILEM-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
N#C/C(=C/c1cc(F)c(F)cc1F)c1nc2ccccc2[nH]1	128676197	JMLPYKWZVUYNMD-YHYXMXQVSA-N	299.255	4.044	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cscc1Cl	794873971	IJMLMWBXIAVQBQ-WEVVVXLNSA-N	267.781	4.314	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811628096	MZYMQDVSHAKHFP-DHFUWRPHSA-N	287.306	4.289	50	20	CIGD	
C[C@H](C(=O)NNc1ccccc1)c1ccc2ccccc2c1	84622228	BDHVXNYPFIPUNO-AWEZNQCLSA-N	290.366	4.087	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)C(=O)C2CCCCC2)c1	128929345	COXIJUNRTBFXGK-WJDWOHSUSA-N	283.371	4.142	50	20	CIGD	
FC(F)(F)Oc1cc(Br)cc(CCl)c1	306266495	GGCGCMLODCCOCI-UHFFFAOYSA-N	289.478	4.087	50	20	CIGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)C(C)C	788731944	HCNVAQUJMDPQSV-WQLSENKSSA-N	261.752	4.034	50	20	CIGD	
CCCN(N=C1CC(C)(C)C[C@H]1C)C(=O)OC(C)(C)C	794997740	DPHGJKBEAFJFGB-GFCCVEGCSA-N	282.428	4.446	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(C3CCCC3)cc2)c1	810043775	FTMAPTJVSKYAOY-UHFFFAOYSA-N	294.398	4.410	50	20	CIGD	
CC(C)c1ccc(NNC(=O)C[C@H](C)c2ccco2)cc1	861926901	FJOFAGYZDCSEOZ-ZDUSSCGKSA-N	286.375	4.040	50	20	CIGD	
CC(C)C1CCC(=NNC(=O)c2ccccc2Cl)CC1	1318295541	PYDPNYXLXWTIJS-UHFFFAOYSA-N	292.810	4.272	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	434394	PMLHWNZNYVLUQO-GXDHUFHOSA-N	296.757	4.194	50	20	CIGD	
FC(F)(F)c1cccc(-c2nc(CCl)co2)c1	37933908	FERDGQKDQQQEEI-UHFFFAOYSA-N	261.630	4.099	50	20	CIGD	
C[C@H]1CCC[C@H](OC2(CBr)CCCC2)C1	50481542	UJZIASVLWDDLSY-RYUDHWBXSA-N	275.230	4.289	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1	128904192	QNGPXKHUJYJQTF-WJDWOHSUSA-N	253.345	4.051	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)C1	254382668	TUAKFMPZOMRWPK-CYBMUJFWSA-N	286.419	4.280	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(C)c1	779704709	WUQSLFOYHMRSMM-SEEODLKFSA-N	261.752	4.171	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2cnccc2c1	794875297	UPCWPMPKFFDNNY-YBEGLDIGSA-N	278.355	4.147	50	20	CIGD	
C/C(N)=C(\C#N)c1nc(-c2csc3ccccc23)cs1	806553649	VAASMVCVGVUIBO-LUAWRHEFSA-N	297.408	4.238	50	20	CIGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1cccs1	808706827	VUMWKTXSONDDTI-UHFFFAOYSA-N	285.529	4.202	50	20	CIGD	
N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(CCl)c1)C2	811697350	ZZCMPGNKILKGTG-FRKPEAEDSA-N	293.753	4.119	50	20	CIGD	
Cc1cc(Br)ccc1/C=C(/C#N)c1ccccn1	164607671	BVWXUNBIGMEMRU-LCYFTJDESA-N	299.171	4.217	50	20	CIGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C2CCC2)cc1	189673650	OWTGJZHISZWXLO-UHFFFAOYSA-N	298.361	4.159	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1cccc(F)c1	194531485	FSMHFLMSIMBNHM-JXMROGBWSA-N	291.734	4.330	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1F	731488667	OPDCEWGOFQWKGA-ZROIWOOFSA-N	291.329	4.085	50	20	CIGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cccc(F)c2)cc1	748089898	ZUWHQDJDCYUMOV-GFCCVEGCSA-N	286.350	4.096	50	20	CIGD	
CCCCCCCC(=O)NNc1ccccc1Cl	748332655	NAGBKEIXNFIJRD-UHFFFAOYSA-N	268.788	4.144	50	20	CIGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1ccccc1	754175084	YWRPFSJTFIJYOX-CABCVRRESA-N	294.398	4.119	50	20	CIGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)c1ccccn1	787168025	HQPARLHYMYSBCC-AYMWWVTDSA-N	291.310	4.000	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NC1CC2(CCC2)C1	846609006	FOSBBMVNMMBVNN-CYBMUJFWSA-N	299.505	4.149	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccnc2ccccc12	905072930	PLAZSNFFABTNKE-RVDMUPIBSA-N	278.355	4.147	50	20	CIGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2ccsc2)c(C)c1	915990305	ZTSSBSIEJSPXBK-NVNXTCNLSA-N	281.380	4.463	50	20	CIGD	
CC(C)(CBr)CCCc1ccccc1	85050148	LUCZALUCXIAXGV-UHFFFAOYSA-N	255.199	4.430	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(O)c(F)c2)n1	158864082	MQXUIHPQCIDORC-VZUCSPMQSA-N	288.347	4.175	50	20	CIGD	
CC(C)c1ccc([C@@H](C)N2CC=C(C#N)CC2)cc1	273014602	BIAPDCGJAUHBBQ-CQSZACIVSA-N	254.377	4.027	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C)c(C)c1	741468229	DNPSQGVICZQNOL-BVTUPMQUSA-N	255.361	4.216	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	759035402	PCQUGBYEHSNDBS-KWJWQAOWSA-N	267.328	4.263	50	20	CIGD	
CC1(C)CC[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	805243729	RELJCVIEQSSVTL-NEPJUHHUSA-N	287.494	4.005	50	20	CIGD	
CC(C)(C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)C1CC1	808534980	XVSCJXZPGGXPTR-UHFFFAOYSA-N	299.326	4.090	50	20	CIGD	
C=CCCCCC(C)=NNC(=O)c1cccc(Cl)c1	834923682	ARIHPQSFXNJESM-UHFFFAOYSA-N	278.783	4.192	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCn1cnc(Cl)c1Cl	840205597	VDRUEPROOWPMBL-UHFFFAOYSA-N	295.286	4.212	50	20	CIGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccc(Cl)cc1	120213688	OGNRWRGRZCGQRG-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)o1	125404835	TWOWBPDBERICCA-FFYDSOFISA-N	271.360	4.315	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1sccc1C	182059789	XCSOTCWZOHZNLC-NTUHNPAUSA-N	285.343	4.294	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc(C)cs1	212767775	OIGHTUAMMDZEPV-FFYBSVHWSA-N	266.369	4.462	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)s1	727655196	RATQXZRFAQOKQK-NTEUORMPSA-N	281.380	4.463	50	20	CIGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1	730150237	QAXZSYSCXPTUIG-YBEGLDIGSA-N	285.387	4.244	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741840304	OHXPRRJWOCNEFR-FLIBITNWSA-N	271.291	4.094	50	20	CIGD	
Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1C	780802907	VDALCVVKMVZMHP-UHFFFAOYSA-N	296.414	4.358	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)C1CCCC1	781553086	JOHKFGYQGFPVPG-XYOKQWHBSA-N	277.726	4.145	50	20	CIGD	
N#C/C(=C\c1coc2ccccc12)C(=O)C1CCCC1	781555891	QWLOMPRXWCGCLU-UKTHLTGXSA-N	265.312	4.099	50	20	CIGD	
COC(=O)N(C)N=Cc1ccc(-c2cc(C)cc(C)c2)cc1	794961193	JANUXLZBDKPLTO-UHFFFAOYSA-N	296.370	4.003	50	20	CIGD	
CCOc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	866010893	JGWQWAAXWRVEMS-NTEUORMPSA-N	296.395	4.483	50	20	CIGD	
CC[C@H]1CCCCC1=NNC(=O)c1ccccc1Cl	1116506473	TZYBWWJYGUGUMQ-NSHDSACASA-N	278.783	4.026	50	20	CIGD	
Br[C@H]1CCCC[C@H]1OC1CCCCCC1	50503059	CHZJNVXRUZWYCW-QWHCGFSZSA-N	275.230	4.432	50	20	CIGD	
C=CC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	110968379	QLOLKJNGNNEIJG-AWEZNQCLSA-N	299.505	4.125	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(SC)cc1	125488589	DYVRNMNJGBTEMI-GVIGZQTCSA-N	273.401	4.321	50	20	CIGD	
COC(=O)N(C)N=C(C)c1cc2c(ccc3ccccc32)o1	495742865	ANTFLZFTPBBIHU-UHFFFAOYSA-N	296.326	4.008	50	20	CIGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cccc(Cl)c1	727254801	ZEWRZEBNVYSJQM-GFCCVEGCSA-N	292.810	4.416	50	20	CIGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1F)C1CCCCC1	733363105	NUXTZSVXPZJBIF-NSHDSACASA-N	296.361	4.014	50	20	CIGD	
CC(C)(C)c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)o2)cc1	743248210	KYXSAQPAGIKYKR-RAXLEYEMSA-N	295.338	4.236	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)C1CCCC1	781555661	NHFONMCRLMQKBK-GXDHUFHOSA-N	279.339	4.408	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCC2)c(C)n1C1CC1	781556183	UORYFFSLVPQWJA-YBEGLDIGSA-N	282.387	4.106	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)C(C)(C)CC)cc1	794874197	JHDVLAHOSMDIPW-PTNGSMBKSA-N	255.361	4.161	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1csc2ccccc12	810194990	SEXYVTSZLWDEMR-FLIBITNWSA-N	269.369	4.423	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C1=CCCCC1	812766070	GJGPQFOWDOZRQG-UHFFFAOYSA-N	272.392	4.062	50	20	CIGD	
O=C(NNc1ccccc1)[C@@H]1CCCC[C@@H]1c1ccccc1	824113351	FMBNKQSMDWACKW-QZTJIDSGSA-N	294.398	4.104	50	20	CIGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)c1nc(C2CC2)cs1	843274310	VXRAWKMVQRABCG-WDZFZDKYSA-N	298.415	4.105	50	20	CIGD	
CC(C)(C)[C@H](Br)c1nnc(C2CCCC2)o1	1261432051	YCQQEESTYACWOZ-SECBINFHSA-N	287.201	4.209	50	20	CIGD	
CCC(CC)N(C(=O)CCl)c1ccc(C)c(C)c1	1341524354	PHFDEJPMAKBMGL-UHFFFAOYSA-N	267.800	4.064	50	20	CIGD	
Clc1ccc([C@@H](CBr)OCC2CC2)cc1	50480151	DVQVFJOSGFDYKO-GFCCVEGCSA-N	289.600	4.203	50	20	CIGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1	124823786	GMQCQGWPZUIIDY-BOPFTXTBSA-N	291.350	4.102	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	176918458	MKPAHSLURDRDSF-MDWZMJQESA-N	284.384	4.339	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C\c1ccccc1	746684343	NCTYOAFBRGLDEP-HAVFLYGMSA-N	279.364	4.403	50	20	CIGD	
Cc1cc(Cl)cc(C(=O)NNc2ccc(Cl)cc2)c1	749270880	ACYITSXNOLBYAI-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CCCCCCCCC(=O)NNc1ccc(F)cc1OC	788181281	OJXDIXUHPZHUMV-UHFFFAOYSA-N	296.386	4.028	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1cccc(F)c1	799888207	FGGVVKKUPWUQOZ-FPLPWBNLSA-N	274.722	4.461	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C#N)cs2)cc1C	809146145	MMJLIRPGOMVWFF-VIZOYTHASA-N	292.363	4.027	50	20	CIGD	
CCc1ccsc1C(=O)NNc1ccc(C(C)C)cc1	837056460	QKJDVRPQTMYIRM-UHFFFAOYSA-N	288.416	4.191	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc2ncccc12	871600022	YZOOHFJTRXLHLU-KAMYIIQDSA-N	278.355	4.147	50	20	CIGD	
CCCC1CCC(=NNC(=O)c2ccc(CC)cc2)CC1	916329481	LHYFBQZDUSNKQT-UHFFFAOYSA-N	286.419	4.325	50	20	CIGD	
N#C/C(=C\c1cccc2ccoc12)C(=O)C1CCCC1	1117826040	DNKBBVXPSKEJJG-XNTDXEJSSA-N	265.312	4.099	50	20	CIGD	
BrC[C@H](COCc1ccccc1)C1CCCC1	230090933	YHYRCYQXZIJRBG-OAHLLOKOSA-N	297.236	4.405	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1	741470016	OTXFFXWNYYSBKM-KAQJVSAMSA-N	261.752	4.252	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cn1	764884285	DPLUWPSALOGRBS-MLPAPPSSSA-N	269.373	4.034	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1ccc(C)c(C)c1	809146969	VDMYNLYBSVPZAT-SFQUDFHCSA-N	292.382	4.305	50	20	CIGD	
C[C@H](CCC#N)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844336970	NWFQAPRTWYCHGX-HUUCEWRRSA-N	296.531	4.165	50	20	CIGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccccc1C	916362192	VIZTZAGLKNUHHY-ICPRKQRHSA-N	284.403	4.403	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc2ccoc12	1324598208	WXJBUNDCTGPPKX-XBUHWIKASA-N	267.328	4.345	50	20	CIGD	
N#C/C(=C\c1csc2ccccc12)c1ccccn1	73692749	QMDZNOLLRYJURI-FMIVXFBMSA-N	262.337	4.360	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	171019522	HMFYPOXPIPAILR-LCYFTJDESA-N	293.313	4.200	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2ccc(F)cc2)ccc1[N+](=O)[O-]	180571952	LHRAFFMPYWLPFG-ZROIWOOFSA-N	282.274	4.107	50	20	CIGD	
CCCCCC[C@](C)(CC)C(=O)NNc1ncccc1F	804212431	UHOOXRGYPRUOOV-INIZCTEOSA-N	295.402	4.051	50	20	CIGD	
N#Cc1cnccc1/C=C/c1ccc(OCCCCl)cc1	811694029	OYDPONSVOJEZKC-GORDUTHDSA-N	298.773	4.131	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2)c1C	915860426	XGFYSEZTBJIZAR-ATVHPVEESA-N	292.382	4.305	50	20	CIGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](F)CC	1262695359	AAHHHDCSFOALDT-ZDUSSCGKSA-N	294.395	4.071	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)c1nc2ccccc2[nH]1	9337983	QOLLXZIKVGAIRL-JLHYYAGUSA-N	285.306	4.373	50	20	CIGD	
N#C/C(=C\c1ccccc1OC1CCCC1)c1ccccn1	63275107	UOZYHRFQHONXJA-DTQAZKPQSA-N	290.366	4.467	50	20	CIGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)c1ccccn1	157202151	GLVIGQNJBUIIFV-WZUFQYTHSA-N	292.235	4.304	50	20	CIGD	
O=C(NN=CC1CCCCC1)c1c(Cl)cccc1Cl	727781391	MAHAIQLZUKSSDK-UHFFFAOYSA-N	299.201	4.289	50	20	CIGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)o1	760212702	ZSFDBUGRQHWEHP-GDNBJRDFSA-N	279.339	4.249	50	20	CIGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(C2CC2)cc1	771173825	HVVPXURFNCDCGR-UHFFFAOYSA-N	299.349	4.160	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c(C)c1	772176774	QJJBLMFMUPOKSV-UUASQNMZSA-N	297.304	4.372	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)C(=O)C(C)(C)C)c1	773905913	DLWQTRGOXXNMHF-RVDMUPIBSA-N	255.361	4.161	50	20	CIGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1ccoc1	798229755	HPQWMDDHLADXDJ-MHWRWJLKSA-N	273.291	4.223	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	917518027	PWMDRMRUCCQQBX-ATVHPVEESA-N	275.351	4.486	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)c1nc(C)c(C)s1	125424234	OVRDHSBEIPZOMJ-ZSOIEALJSA-N	254.358	4.133	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)c1cnc2ccccc2n1	588580640	MGQUJEOZTKHCSD-JYRVWZFOSA-N	291.741	4.347	50	20	CIGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1ccccc1F	727250688	TXSFYHCCNGLAGX-ZDUSSCGKSA-N	290.382	4.148	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	729819619	BYGVUFBIQPBHEO-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
CCC[C@@H](CC1CCCC1)C(=O)NNc1ccc(F)cc1	733252689	KUBNYQCICIGVKO-AWEZNQCLSA-N	292.398	4.265	50	20	CIGD	
CCCCCC(CCCCC)=NNC(=O)c1ccccn1	743418922	MQTMTXSOUXIWIN-UHFFFAOYSA-N	289.423	4.328	50	20	CIGD	
C[C@@H](NC=C(C#N)C#N)c1ccc(Oc2ccccc2)cc1	751259037	FNJWXFLFJMNOME-CQSZACIVSA-N	289.338	4.061	50	20	CIGD	
C[C@@H]1CC[C@H](C=NNC(=O)c2ccc(Cl)cc2Cl)C1	800808094	FQCSJUPTBQZJPJ-ZJUUUORDSA-N	299.201	4.145	50	20	CIGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1Cl	863188224	QMQFVAUSENCPBA-MDWZMJQESA-N	289.762	4.015	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1ccc(F)cc1	1252173062	QDJJPWPPGWQVRA-BOPFTXTBSA-N	291.325	4.104	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(C)c1	7155823	BCQUHLVSDQTCHL-GZTJUZNOSA-N	261.324	4.093	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc2ccccc2o1	11295001	AOTVCKYSVOCLPU-UKTHLTGXSA-N	277.279	4.124	50	20	CIGD	
C[C@H](CBr)Cc1cc(Br)cs1	85052005	CGVCICRPIIEUKO-LURJTMIESA-N	298.043	4.084	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	213151156	JWFYGWYOHXMINQ-YRNVUSSQSA-N	298.169	4.244	50	20	CIGD	
COc1ccc2cc(/C=C(/C#N)C(=O)CC(C)C)ccc2c1	726120651	XJANTDMOJOIOEU-YVLHZVERSA-N	293.366	4.371	50	20	CIGD	
Cc1ccccc1-c1cccc(C=NNC(=O)CC(C)C)c1	729636180	FSPZFJJPTXHGPY-UHFFFAOYSA-N	294.398	4.158	50	20	CIGD	
O=C(CC1=CCCCC1)NNc1ccc(Cl)cc1Cl	748012704	PNMPMVOETCSUBF-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccccc2F)cc1	748057396	TXGCDHWNRGFOSA-GFCCVEGCSA-N	286.350	4.096	50	20	CIGD	
Cc1ccc(CN(C)/C(=C\C#N)c2ccc(F)cc2)s1	750794719	CRFPIVLFAZXNDG-SXGWCWSVSA-N	286.375	4.192	50	20	CIGD	
Cc1cccc([C@@H](C)OC(=O)/C(C#N)=C\c2ccccc2)c1	785361894	KJHXJMIVLZYEGB-PWDRBQJJSA-N	291.350	4.206	50	20	CIGD	
CCCCCC(C)=NNC(=O)c1ccc(Cl)cc1	818197111	LLMOYVPMKUQHRO-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@@H]2CCCC[C@@H]21	855062246	DCUNKQXPNJZVLU-IHRRRGAJSA-N	299.505	4.102	50	20	CIGD	
CCC(=NNC(=O)c1ccccc1Cl)C1CCCC1	1324849286	YWEYRNCDMUJFFY-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
CCCCO[C@H](CBr)c1cccc(F)c1	50479857	FUYTVEQVQUATFA-GFCCVEGCSA-N	275.161	4.078	50	20	CIGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)OC(C)(C)C	727250241	JNODLYXPPQFGKX-LBPRGKRZSA-N	268.401	4.103	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(C)c(C)s2)cnc1Cl	760264738	MJZICPGMJUSZPU-LFYBBSHMSA-N	289.791	4.181	50	20	CIGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)C1CCCC1	781553081	JJMMCCLNMARCBG-UKTHLTGXSA-N	283.302	4.238	50	20	CIGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)c1ccccn1	787168032	HQPARLHYMYSBCC-VIYDEIPASA-N	291.310	4.000	50	20	CIGD	
C=C(CBr)CN1CCC[C@@H]1c1ccc(C)cc1	791442397	NBKUQIZSXRMPHP-OAHLLOKOSA-N	294.236	4.083	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)OC1CCCCC1	14178711	IZQWVZQWIBGYMC-JLHYYAGUSA-N	289.762	4.123	50	20	CIGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)c1ccccc1	78267698	LBHWXLSMRLJZBV-UVTDQMKNSA-N	299.276	4.078	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)o1	255842568	JNDSUIQTEVLSPS-NQFXMWKNSA-N	289.338	4.343	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccccc2F)c1C	728286916	LGKLESHUKKEXQJ-XNTDXEJSSA-N	296.345	4.054	50	20	CIGD	
CCCC(CCc1ccccc1)=NNC(=O)C1CCCC1	740760696	JPRFFWUQDJBOFZ-UHFFFAOYSA-N	286.419	4.082	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1c[nH]c2ccccc12	748245335	XWLWJJXQYMFDGI-GFCCVEGCSA-N	285.391	4.100	50	20	CIGD	
Cc1ccc(NNC(=O)c2ccc(C3CCCC3)cc2)cc1	810044251	PTEQZVPOWDRKTM-UHFFFAOYSA-N	294.398	4.410	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cncn2C(C)C)n1	901480549	MQVZQJQJCXZRRL-XGICHPGQSA-N	286.404	4.108	50	20	CIGD	
BrCCC[C@H]1CCCc2ccccc21	82583168	GEDNRYKUXULWCS-GFCCVEGCSA-N	253.183	4.282	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2F)s1	170933615	RNQRJTSXRHQBBG-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	279950819	BDHPOEJGHYZTAG-DHZHZOJOSA-N	290.432	4.353	50	20	CIGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1ccc2ccccc2n1	755894876	NUSZZSFLSPDJMF-CYBMUJFWSA-N	299.418	4.140	50	20	CIGD	
CC(C)c1ncc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)s1	758423102	HWIMYRSAIIECNX-KPKJPENVSA-N	299.355	4.239	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(F)c2)cc1C	809146456	PDXNRURRBZHTBS-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)cnc1F	899344215	NTGFKRARWVBQGY-XGICHPGQSA-N	287.363	4.173	50	20	CIGD	
CCCCCCC(C)=NNC(=O)c1ccccc1C	917579695	XGFBAZJGYCYEGU-UHFFFAOYSA-N	260.381	4.071	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1C	48331570	REAQUWVKRMRNCP-NVNXTCNLSA-N	267.353	4.155	50	20	CIGD	
C[C@@H](OC1(CBr)CCCCC1)C(F)(F)F	85422943	TWODQNAICULXGL-MRVPVSSYSA-N	289.135	4.052	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)C1CCCCC1	128850684	LMVWAPCVVCIIHR-WJDWOHSUSA-N	253.345	4.051	50	20	CIGD	
CC1=CC(=NNC(=O)c2ccc3ccccc3c2)CCC1	727255604	QVQLRQSZGMLKQF-UHFFFAOYSA-N	278.355	4.056	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(CC)cc1	741469721	MISNIBMNMKZQOG-YYTPVVGHSA-N	255.361	4.161	50	20	CIGD	
CC[C@H]1CCCC1=NNC(=O)c1cccc2ccccc12	758378110	JZLJMJCZZGELDQ-ZDUSSCGKSA-N	280.371	4.136	50	20	CIGD	
C[C@@H]1CC[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1	781089148	QMOPLMRKXXELMC-FRRDWIJNSA-N	287.494	4.005	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)C2(C)CCCCCC2)c1	781348457	IBRTXKXZEGCDTD-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
Cn1c(/C(C#N)=C\c2ccsc2Cl)nc2ccccc21	790102169	ZWHWNXCACPHAMH-FLIBITNWSA-N	299.786	4.352	50	20	CIGD	
CCOc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843266582	XPSDKBYZVMTWGT-ZSOIEALJSA-N	296.395	4.483	50	20	CIGD	
CCCCc1ccc(CC(=O)NNc2ccccc2C)cc1	919148791	OZVCPMCXWKQYPF-UHFFFAOYSA-N	296.414	4.023	50	20	CIGD	
FC(F)(F)c1ccc([C@@H]2OCCC[C@@H]2CCl)cc1	92889354	QZNZCJZJOFBFID-PWSUYJOCSA-N	278.701	4.412	50	20	CIGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)c1nc2ccccc2[nH]1	158645345	GEYCIBOWJJWWAV-XFFZJAGNSA-N	297.720	4.420	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(F)ccc3F)[nH]c12	735619746	QSFHZNRBVJBGGW-GHXNOFRVSA-N	295.292	4.214	50	20	CIGD	
C=CCCC(C)=NNC(=O)c1cc2c(s1)CCCCC2	758097401	SBVAQJPRRBBNDM-UHFFFAOYSA-N	290.432	4.089	50	20	CIGD	
Cc1cccc(NNC(=O)c2cccc(C3CCC3)c2)c1	799098516	MQXITKBDVQMISG-UHFFFAOYSA-N	280.371	4.019	50	20	CIGD	
CCc1ccccc1C(=O)NNc1ccc(C(C)C)cc1	837053501	TVXKDZUYGJEKJD-UHFFFAOYSA-N	282.387	4.129	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1C	843266040	SBEFWNVIBIDXGI-ZSOIEALJSA-N	296.395	4.402	50	20	CIGD	
C[C@@H](c1cccs1)N(C)C(=O)C1CCC(Cl)CC1	1527460753	FAQQQVKOBQSSCZ-UNXYVOJBSA-N	285.840	4.065	50	20	CIGD	
CC[C@H](CBr)c1ccccc1Br	86370090	HUHMRSDZEHETLJ-MRVPVSSYSA-N	292.014	4.338	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	255831664	OVINXJRLGGLHKH-IZZDOVSWSA-N	265.715	4.001	50	20	CIGD	
Cc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)s1	735620343	XPXKVMUVZUZJKE-XYOKQWHBSA-N	279.368	4.305	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771838402	PHOKYTVIVKLPAH-ISAHRAOESA-N	299.267	4.367	50	20	CIGD	
Cn1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)c1	788328794	QIPIDNTYSNETKS-ZSOIEALJSA-N	292.363	4.030	50	20	CIGD	
CC(C)CC(CC(C)C)=NNC(=O)c1ccccc1F	916291265	XGQHBPSDHVRWQX-UHFFFAOYSA-N	278.371	4.004	50	20	CIGD	
C[C@@H]1C[C@@H](OC(C)(C)CBr)CC(C)(C)C1	158270181	QJBCCFKPSXYNRV-GHMZBOCLSA-N	277.246	4.391	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccccc2C2CC2)n1	750818643	YQTKVWHSPIVQSE-ZSOIEALJSA-N	266.369	4.393	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1C#N	766492458	YIUGAFLOEKEJPU-CHHVJCJISA-N	279.368	4.004	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc(O)c(F)c1	799894172	ZFLJPKRFSMJIIS-XQRVVYSFSA-N	290.721	4.166	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1	824221197	KZMVXRNBSPXSEF-QZTJIDSGSA-N	294.398	4.022	50	20	CIGD	
CC(C)CCO[C@]1(CBr)CCC[C@@H](C)C1	71125331	MSCKEERKBORHRI-CHWSQXEVSA-N	277.246	4.393	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2)s1	105570979	NLQSTULHXLFNIL-KPKJPENVSA-N	287.771	4.500	50	20	CIGD	
CCC(=NNC(=O)CC1CCCC1)C1CCCCC1	750937140	NSURDVBTSKDVIH-UHFFFAOYSA-N	264.413	4.029	50	20	CIGD	
C[C@H]1CCC(=NNC(=O)c2ccc(Cl)cc2F)C[C@H]1C	767384665	ICOIFGMAQMGYBF-VHSXEESVSA-N	296.773	4.021	50	20	CIGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)C1CCCCC1	767713194	JIFZSOIFMDDMPZ-WUXMJOGZSA-N	293.288	4.160	50	20	CIGD	
C[C@H](CBr)CN(C1CC1)[C@@H](C)c1ccccc1	770654335	BYXCSQFAXFOWMW-OLZOCXBDSA-N	296.252	4.243	50	20	CIGD	
Cc1cc(F)ncc1/C=C(/C#N)c1nc(C(C)C)cs1	899344427	QKAXCHUBVDRWAJ-WZUFQYTHSA-N	287.363	4.173	50	20	CIGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1Cl	255297923	VHQVYWJYCZCKLX-MDWZMJQESA-N	289.762	4.037	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)s1	731159465	ROZDAHHIQGLPEJ-DHZHZOJOSA-N	287.409	4.470	50	20	CIGD	
C=CCCC(=NNC(=O)c1ccc2ccccc2c1)C1CC1	747753311	NEXFBRGTJQMKOA-UHFFFAOYSA-N	292.382	4.302	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccccc1C1CC1	750817701	IFWHCDFEBBOMIF-UVTDQMKNSA-N	253.345	4.086	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(F)c(C#N)c2)n1	770571216	CPNKKHXQFNKCML-AWNIVKPZSA-N	297.358	4.341	50	20	CIGD	
N#C/C(=C/c1ccco1)C(=O)c1cc2ccccc2s1	788329353	UKFDXEYMHIRMDH-WQLSENKSSA-N	279.320	4.284	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	794875716	XTIRDQSJIFPZPL-XNTDXEJSSA-N	297.398	4.312	50	20	CIGD	
CCCN(N=CCCc1ccccc1)C(=O)OC(C)(C)C	794997767	FFNLBVSUFYECJK-UHFFFAOYSA-N	290.407	4.252	50	20	CIGD	
COc1ccsc1/C=C(/C#N)C(=O)c1ccc(C)c(C)c1	809147012	WMEWULJFQJXTCE-ZROIWOOFSA-N	297.379	4.163	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc2ncccc12	871660658	WXSAFMHIVBPPCN-WZMONFQBSA-N	278.355	4.147	50	20	CIGD	
CC[C@@H](C(=O)NN=CC1CCCCCC1)c1ccccc1	741841340	CATBSHBABJXWHA-QGZVFWFLSA-N	286.419	4.253	50	20	CIGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)C1CCCCC1	767713554	KKXVIPXFMKKWIH-MDWZMJQESA-N	289.762	4.102	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)C1CCCCC1	767715387	VFFFMJPGTWBONL-RVDMUPIBSA-N	279.339	4.489	50	20	CIGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1c[nH]c2ccccc12	769568178	YYKVMXLXMFDALK-QWHCGFSZSA-N	297.402	4.100	50	20	CIGD	
CC1(C)CCC(=NNC(=O)c2ccccc2Cl)CC1	1318959792	YFRFFPQFQMZWPO-UHFFFAOYSA-N	278.783	4.026	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)c1ccccn1	179171301	ZDTIEGOZFUQGDX-YRNVUSSQSA-N	292.235	4.304	50	20	CIGD	
CCOC(=O)NN=Cc1c2ccccc2cc2ccccc12	254872416	NASQYOGJMQCDLT-UHFFFAOYSA-N	292.338	4.073	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	726428014	CSKHCOUSXCTFDT-ZDIKFAODSA-N	281.277	4.228	50	20	CIGD	
Cc1cc(C)c(NNC(=O)C[C@H]2CCCC[C@H]2C)c(C)c1	743763586	QPBBDFBMJGGIOQ-CZUORRHYSA-N	288.435	4.271	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CC(C)(C)c2ccccc2)c1	748366678	NCNQZIHZGSIXDX-UHFFFAOYSA-N	296.414	4.114	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccs2)cc1C	809145941	KARNYKAJJDDXHE-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(F)cc(F)c1	1320174801	BYEZZUSDBBUTTR-MLPAPPSSSA-N	283.277	4.063	50	20	CIGD	
CCCCO[C@@]1(CBr)CCC[C@@H](C)C1	50503459	JSRJYSWVGYDNBG-NEPJUHHUSA-N	263.219	4.147	50	20	CIGD	
C[C@H]1C[C@@H](OC(C)(C)CBr)CC[C@H]1C	158456469	JDORXEROAOVTCY-VWYCJHECSA-N	263.219	4.001	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(Br)cs1	171020013	QTTOKNSTEALODH-WTKPLQERSA-N	298.205	4.033	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	726594704	NCPJYKATBCPBEG-JMRXEAOASA-N	293.366	4.371	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@H](C)C2CCCCC2)c1	731784100	FPIIZLZOXARCDQ-AWEZNQCLSA-N	274.408	4.045	50	20	CIGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)c1ccsc1	747697637	ZYELAGTVTHZCFC-IQTQREKJSA-N	283.327	4.233	50	20	CIGD	
CCCCCC[C@@](C)(CC)C(=O)N1CC=C(C#N)CC1	760003752	OXBRQHZYNUDBRO-QGZVFWFLSA-N	276.424	4.055	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(C#N)cc2)s1	797398260	FPOXVYZYZYDAMC-ZSOIEALJSA-N	293.395	4.376	50	20	CIGD	
Cc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1C	812767633	NPCVLFWZTHIQBC-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(SC)s1	840721041	VSROQEGCABKHGL-CSKARUKUSA-N	279.430	4.382	50	20	CIGD	
N#CC(C#N)=CNc1ccc(OC2CCCC2)c(Cl)c1	49306456	OVRSEFGKWSJKKS-UHFFFAOYSA-N	287.750	4.004	50	20	CIGD	
Cc1ccc(C(=O)NNc2cccc(Cl)c2)cc1Cl	103067251	DTVMSAUKILAASZ-UHFFFAOYSA-N	295.169	4.059	50	20	CIGD	
CC[C@H](C(=O)NN=C[C@H](C)c1ccccc1)c1ccccc1	731931966	VDGXMLAYRWFAMT-YJBOKZPZSA-N	294.398	4.086	50	20	CIGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)[C@H](C)CC	767351670	HVTLMFBWLYUWSN-RGHBXIHOSA-N	285.387	4.388	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	767714521	QPLDHQHVWDKFRW-LFTLCWSBSA-N	288.416	4.323	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)c1nc2ccccc2[nH]1	790101426	NQAIHTJNIOTCCM-YFHOEESVSA-N	285.759	4.342	50	20	CIGD	
CC1(CCNC(=O)CCCC[C@@H]2CCSS2)CC1	792493810	HGZATZMHXANFMK-GFCCVEGCSA-N	287.494	4.007	50	20	CIGD	
COc1cccc(C)c1/C=C(/C#N)C(=O)C1CCCCC1	834430286	KGSDIQSVQQPPEG-PTNGSMBKSA-N	283.371	4.060	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc4c(c3)CCC4)[nH]c12	1252172403	KCBHMLZKKJGHEZ-GZTJUZNOSA-N	299.377	4.424	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(F)c2)n1	83015717	VVAWNPAQJSIYCI-SDQBBNPISA-N	272.348	4.470	50	20	CIGD	
C=C[C@H](CC(=O)NNc1cc(C)cc(C)c1)c1ccccc1	179487100	ORJGTGCEWOVLRU-MRXNPFEDSA-N	294.398	4.106	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	194539956	OQTSENFCOJUJDH-IZZDOVSWSA-N	289.306	4.125	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2nc(Cl)cs2)n1	270441935	RUXLOKQMPRZPSF-BAQGIRSFSA-N	295.820	4.441	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(O)c2)s1	797400021	ZEPQGGAHASVHJH-GHXNOFRVSA-N	284.384	4.210	50	20	CIGD	
O=C(NN=C1CCC12CCC2)c1c(Cl)cccc1Cl	799878635	CRBXGUJWULXVCN-UHFFFAOYSA-N	297.185	4.043	50	20	CIGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1ccsc1	799891659	QZOZZQXLWCLWRP-VGOFMYFVSA-N	287.771	4.277	50	20	CIGD	
N#CC(C#N)=Cc1cnn(C2CCCC2)c1-c1ccccc1	817341866	ODCQRUSVPLEGTK-UHFFFAOYSA-N	288.354	4.096	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCC[C@@H]2C[C@H]12	838265744	WRYDTMHCWJROFO-RFGFWPKPSA-N	299.505	4.005	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	918733091	HQYLGTDXOWBAEI-MKQNABESSA-N	298.342	4.063	50	20	CIGD	
O=[N+]([O-])c1ccc([C@@H](Cl)c2ccc(F)cc2)cc1	98179992	MCDIQQOHDRDMQV-ZDUSSCGKSA-N	265.671	4.062	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1ccccn1	133005992	AIZLCNPLDDYCPF-RAXLEYEMSA-N	260.296	4.200	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1	772176667	OOPBJMJLNQVACV-GIDUJCDVSA-N	297.304	4.372	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1	20670513	JFHHLOMYSRJTNC-NTEUORMPSA-N	284.384	4.305	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)cc(C)c2)cc1	60132509	GSGHQNCLYFBXNL-BOPFTXTBSA-N	290.366	4.158	50	20	CIGD	
C[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccc1	120116243	AGGCVPAINSMBGH-AWEZNQCLSA-N	296.414	4.231	50	20	CIGD	
CC(C)C[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	121147724	HDBGZCMRPSYLTO-QWHCGFSZSA-N	289.510	4.251	50	20	CIGD	
CC1(C)CCC(O[C@@H]2CCC[C@@H]2Br)CC1	163239381	WVYWGMRNZWVQKZ-NWDGAFQWSA-N	275.230	4.288	50	20	CIGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)C(C)C	193344072	LJCXWQSIFJGKLG-FMIVXFBMSA-N	267.328	4.127	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	213149217	MFEYSAGZNNNPHW-DHZHZOJOSA-N	298.169	4.244	50	20	CIGD	
CC(C)[C@@H](NC[C@H](C)CBr)c1ccccc1	309719057	ZZBSBENGDNSHQF-TZMCWYRMSA-N	284.241	4.004	50	20	CIGD	
CC(C)c1[nH]nc(-c2cccs2)c1CBr	409443189	INQCSVFGXBHUAZ-UHFFFAOYSA-N	285.210	4.157	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2ccccn2)ccc1Cl	588409934	NRSMEHVEBQWFMB-LCYFTJDESA-N	254.720	4.108	50	20	CIGD	
CCS[C@H]1CCCCN(/C(=C\C#N)c2ccccc2)C1	750609830	PVHOQYYUNHUCDQ-FDIDWWNZSA-N	286.444	4.159	50	20	CIGD	
Cc1csc2nc(C(C)(C)CCCCCl)nc(O)c12	766288931	NWGVAKFCPAIGLX-UHFFFAOYSA-N	298.839	4.392	50	20	CIGD	
CC(C)=CCOC(=O)CCCC[C@@H]1CCSS1	916610025	DMBZODAXHRWXRA-GFCCVEGCSA-N	274.451	4.210	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)o1	177636938	JEDLBUNZIJBCIY-YRNVUSSQSA-N	272.373	4.486	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	255906590	UIFXWLTXYDKQDT-YRNVUSSQSA-N	299.317	4.431	50	20	CIGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)c2ccccc2)s1	758416145	PPFKNEYYFQPTOC-JYRVWZFOSA-N	282.368	4.056	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2cnccc2c1	780004212	IIYAXJGJWXTJMO-YVLHZVERSA-N	278.355	4.147	50	20	CIGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791739449	OQSFUPBSMBKDKR-RKDXNWHRSA-N	289.206	4.119	50	20	CIGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(C#N)c2)s1	797398913	MXUUQPCNHOGRNP-RIYZIHGNSA-N	293.395	4.376	50	20	CIGD	
COc1ccsc1/C=C(\C#N)C(=O)c1ccc(C)c(C)c1	809147011	WMEWULJFQJXTCE-NTEUORMPSA-N	297.379	4.163	50	20	CIGD	
CC[C@H](C)[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	57072549	DXXXURAFFKOWCK-RWMBFGLXSA-N	289.510	4.251	50	20	CIGD	
O=C(NNc1ccccc1Cl)Nc1ccccc1Cl	57580732	FPPTXCUKPJKSJJ-UHFFFAOYSA-N	296.157	4.142	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1F	171510496	QLDKCFBSYLUFLQ-NTEUORMPSA-N	282.274	4.107	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1	194534185	IYLPGSJVGCPDQG-OQLLNIDSSA-N	295.313	4.014	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1C1CC1	750818061	OFZSSWLENFSEMM-DYTQJMLRSA-N	253.345	4.086	50	20	CIGD	
CCCN(N=C[C@@H](C)C(C)(C)C)C(=O)OC(C)(C)C	794992586	DYZHNOXCYKGPIN-GFCCVEGCSA-N	270.417	4.302	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C2CC2)cc1	854336443	NWJVDYBVHPSAOP-UHFFFAOYSA-N	294.398	4.192	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CCC2CCCCC2)c1	857502238	BLCQQWSZBKBLAR-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CC[C@@H](C)Sc1ccc(NC(=O)CCl)c(C)c1	1319683127	XBBOEFDWUMGHPA-SNVBAGLBSA-N	271.813	4.063	50	20	CIGD	
N#C/C(=C\c1ccco1)C(=O)c1c[nH]c2cc(Cl)ccc12	55040316	HJLNKUYPCOLVBS-UXBLZVDNSA-N	296.713	4.204	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C)cc1C	741473614	JPNVPPLWEIRVSG-ATTDUZETSA-N	255.361	4.216	50	20	CIGD	
O=C(NN=C1CCCC12CCCC2)c1cccc(Cl)c1	814732514	PAUYNLWBXRVJOT-UHFFFAOYSA-N	290.794	4.170	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc2cc(Cl)cnc2o1	834421288	ORRCYMBZRTXSIH-WDZFZDKYSA-N	288.734	4.003	50	20	CIGD	
CC[C@H](C)[C@@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	912596244	FEWDWOAGEBFZFO-MAUKXSAKSA-N	296.414	4.268	50	20	CIGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2C)c1	7158475	JOBNDWBOUFJZRC-GZTJUZNOSA-N	290.366	4.158	50	20	CIGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1ccc(F)cc1	11295506	ZBQUXNGAONNZJI-GXDHUFHOSA-N	291.281	4.362	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CC[C@@H](c2ccccc2)C1	750794793	KJBFDYDWOVPKPS-NPBUNYCVSA-N	274.367	4.041	50	20	CIGD	
O=C(NNc1cc(Cl)ccc1Cl)C12CCC(CC1)C2	752631744	HQISADRMRMKODH-UHFFFAOYSA-N	299.201	4.017	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1Cl	779706425	CWMBJSSBRJAVOM-XNTDXEJSSA-N	281.742	4.438	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2scnc2C2CC2)sc1C	782342240	PQOZRBFTOXMVKD-WZUFQYTHSA-N	287.413	4.158	50	20	CIGD	
COc1ccccc1/C=C(\C#N)c1nc(C2CC2)cs1	843266606	YAYYRMWIFYKFQJ-MDWZMJQESA-N	282.368	4.093	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	726428013	CSKHCOUSXCTFDT-UVIKPUKZSA-N	281.277	4.228	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3c(F)cccc3F)[nH]c12	735619881	RRUORTZZMGOYCY-DHZHZOJOSA-N	295.292	4.214	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc(C)c(C)s1	741472988	DHHQWVDTLAYBET-NTUHNPAUSA-N	272.348	4.272	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2cccc(C3CCC3)c2)c1	798981163	BPDNOGWVECCNKK-UHFFFAOYSA-N	294.398	4.328	50	20	CIGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccccc2C)c1	7211089	CUSVTXCYSQEIII-LFIBNONCSA-N	261.324	4.093	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1	255329665	VNQZZSACCCUQGO-ZWSXMNCCSA-N	291.778	4.261	50	20	CIGD	
O=C1[C@@H](CCCl)[C@H](c2ccccc2)N1Cc1ccccc1	261506744	APIYWPJUIMTDRP-IRXDYDNUSA-N	299.801	4.015	50	20	CIGD	
CC1(C)CC(CC=O)(O[Si](C)(C)C(C)(C)C)C1	536950899	VAPNJVDUXKBVGN-UHFFFAOYSA-N	256.462	4.156	50	20	CIGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735618707	FBGPIERAQUVMOM-NTEUORMPSA-N	291.329	4.383	50	20	CIGD	
CC1(C(=O)NNc2cc(Cl)ccc2Cl)CCCC1	748507318	NVYJMHIHPZBMGO-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
Cc1cccc(NNC(=O)CC2CCC(C)(C)CC2)c1	752618693	QHJZIDGUNSCJPM-UHFFFAOYSA-N	274.408	4.045	50	20	CIGD	
CC[C@H](C)[C@H](C)C(=O)NNc1c(Cl)cccc1Cl	780640251	AALNYRSXTQVFFF-IUCAKERBSA-N	289.206	4.119	50	20	CIGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c1	809147223	YXMNKVQMZIAUNQ-YVLHZVERSA-N	291.350	4.102	50	20	CIGD	
CCc1ccc(C(=O)NN=C[C@H](CC)c2ccccc2)cc1	814744893	CEBNDNFFWRYKFD-INIZCTEOSA-N	294.398	4.158	50	20	CIGD	
Cc1ccccc1NNC(=O)Nc1cccc2ccccc12	915879003	OOWAIIOYYCKHHQ-UHFFFAOYSA-N	291.354	4.297	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(O)c(Cl)c1	1318018428	ATMRFHCDMOYNOA-MDWZMJQESA-N	297.741	4.144	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)c(C)c1	48833215	BGDYVMAOWTWCQN-OQLLNIDSSA-N	255.361	4.216	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cnc(C3CCC3)s2)n1	760209813	HANCOPGGQBMWGZ-WZUFQYTHSA-N	287.413	4.240	50	20	CIGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1	918714268	RJBMVLUAZDEICW-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
CC(C)n1cc(C(=O)/C=C/c2cccc(CCl)c2)cn1	282161696	NAUKIGWOYSZGQC-VOTSOKGWSA-N	288.778	4.099	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@@H](C)C2CCCCC2)cc1	749200368	CVVNVXCQWDYHLP-CQSZACIVSA-N	274.408	4.045	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3cnccc3c2)cc1	780006212	XXIIVCPFZDJVRY-ODLFYWEKSA-N	298.345	4.333	50	20	CIGD	
N#Cc1cccc(C(=O)/C=C/c2cccc(CCl)c2)c1	799891406	PUDCGMWNWFLCHL-BQYQJAHWSA-N	281.742	4.193	50	20	CIGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccsc1	799891631	APHKNTHCOSBEGG-SNAWJCMRSA-N	262.761	4.383	50	20	CIGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1	834446618	CABPZTITPKRAJF-KAMYIIQDSA-N	289.350	4.090	50	20	CIGD	
C[C@H](Br)Cc1ccc(C(F)(F)F)cc1	62168739	IXFLYFYDLPMHIW-ZETCQYMHSA-N	267.088	4.031	50	20	CIGD	
COc1ccc2c(c1)/C(=C/C#N)C[C@@H](c1ccccc1)C2	215761911	ZMLVCQCJUFKPQG-NDCSFFLDSA-N	275.351	4.332	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(O)cc2)n1	255457365	JYFFUEPRRKMPPH-KPKJPENVSA-N	270.357	4.036	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccccc1OC(C)C	726118572	ODTYFRSOWYWPGA-LFIBNONCSA-N	285.387	4.386	50	20	CIGD	
CCCCc1ccc(C(=O)NNc2ccc(C)cc2)cc1	727869441	UXRCDNNMERQYRC-UHFFFAOYSA-N	282.387	4.095	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)C(=O)C1CCCC1	780006266	YCXSHVJYHGXBRJ-JXMROGBWSA-N	265.765	4.068	50	20	CIGD	
C[C@H](c1ccco1)N(C)CCO[Si](C)(C)C(C)(C)C	788011744	CRBICASZZORIDM-CYBMUJFWSA-N	283.488	4.294	50	20	CIGD	
CCCN(N=C1CCC[C@H]1C(C)C)C(=O)OC(C)(C)C	794996813	LUJLTOGXKXYRCT-ZDUSSCGKSA-N	282.428	4.446	50	20	CIGD	
CCSc1cccc(/C=C(\C#N)C(=O)C(C)(C)F)c1	834447861	TXJUFKYPNUOEDX-XYOKQWHBSA-N	277.364	4.023	50	20	CIGD	
N#C/C(=C\c1scnc1C1CC1)c1nc(C2CC2)cs1	843271630	CRLSWUMQUMDRES-VZUCSPMQSA-N	299.424	4.419	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1	1317935120	MKIDRXRVJNATKQ-FOWTUZBSSA-N	296.414	4.199	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	16411028	DBUSVVSZWWMVMA-SFQUDFHCSA-N	290.366	4.103	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1Cl	588595784	MIJMMRQRMFASBS-MLPAPPSSSA-N	287.771	4.500	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1csc2ccccc12	726429810	VZOIHIIDPZHRJN-SERMCNLOSA-N	269.369	4.423	50	20	CIGD	
CC(C)(C)[C@H]1CCCC(=NNC(=O)c2ccccc2)CC1	746557433	DDRMDFIZMDKMAC-HNNXBMFYSA-N	286.419	4.399	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	767713201	JMDSDMOUNGIQKF-GHXNOFRVSA-N	279.742	4.391	50	20	CIGD	
CC1(C)C[C@]1(C)NC(=O)CCCC[C@@H]1CCSS1	856134992	QSQWIJBGECLMAX-RISCZKNCSA-N	287.494	4.005	50	20	CIGD	
CC(C)(C)c1ccc(C(=O)NN=C/C=C/c2ccco2)cc1	920365188	LCPUQEMOMDIVMM-UKQABGIESA-N	296.370	4.006	50	20	CIGD	
CC(CCc1ccc(C)cc1)=NNC(=O)c1ccccc1C	920370039	GAOOOAZBFJGBCE-UHFFFAOYSA-N	294.398	4.042	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccccc1F	8201695	FRTFJKORYULALZ-FMIVXFBMSA-N	285.705	4.269	50	20	CIGD	
CC(C)Cc1ccc([C@@H](C)CBr)cc1	49783584	YIIXPKUNSPSECQ-NSHDSACASA-N	255.199	4.384	50	20	CIGD	
BrC[C@H](OC1CCCCC1)c1ccccc1	50480377	KOVPZRSHMFGDMZ-AWEZNQCLSA-N	283.209	4.472	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc2ccccc12	726119998	HQTRFUGFQRKQLC-WJDWOHSUSA-N	263.340	4.362	50	20	CIGD	
CCCCCCCC(=O)NNc1nccc2sccc12	734246620	FBURBPGHXKRVCC-UHFFFAOYSA-N	291.420	4.100	50	20	CIGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1ccsc1	750818073	OLVDPJLRJZJJFY-OQLLNIDSSA-N	279.364	4.415	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1Cl	779703641	JUWLCTUWQLEQOW-MDWZMJQESA-N	261.752	4.171	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnc(Cl)c(C)c1	1319199845	IXPBBQIWIFVNSU-ZSOIEALJSA-N	296.757	4.142	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	57547591	MFEYSAGZNNNPHW-FLIBITNWSA-N	298.169	4.244	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cs1	195338622	YGSVDOTZHIAYGX-QFQXNISHSA-N	267.781	4.314	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	277505888	VXPSWWNGEIMONJ-MXFUOJGSSA-N	297.185	4.301	50	20	CIGD	
CCCC(CCC)=NNC(=O)CCCc1ccccc1	727685315	IQLQRYFVQWKIPX-UHFFFAOYSA-N	274.408	4.082	50	20	CIGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(F)cc(F)c3)[nH]c12	755404841	CWVGLGBVMRTRSR-LFYBBSHMSA-N	295.292	4.214	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(Cl)c1F	759645080	UBZQIRRHQFFAAJ-YFHOEESVSA-N	265.715	4.001	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)C2CCCC2)o1	781552700	CLDKLSAJVIYCIR-ZGVOAXKLSA-N	269.344	4.069	50	20	CIGD	
CC(C)(C#N)CCN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852525222	WAUJOZCJVIXGDF-CQSZACIVSA-N	296.531	4.022	50	20	CIGD	
ClCc1cccc2cccc(Br)c12	135901518	ABJULAACSYQHQD-UHFFFAOYSA-N	255.542	4.341	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1	194540951	PHACBRDHGBBLLO-MKMNVTDBSA-N	283.277	4.063	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC)cc1Cl	726117745	CUGJSLQBNDVHGB-MDWZMJQESA-N	291.778	4.261	50	20	CIGD	
CC[C@@H](CC(=O)NNc1c(C)cc(C)cc1C)C(C)C	743763766	SDEPMESQTQSRCH-HNNXBMFYSA-N	276.424	4.127	50	20	CIGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc(F)cc2)[C@@H]1c1ccccc1	750801375	ZRAHFUOBRBLWEU-PRGJHLCASA-N	292.357	4.383	50	20	CIGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@H]1Cc1ccccc1	752313520	GEMSPDCODMNTHT-HSNFWNHWSA-N	292.357	4.007	50	20	CIGD	
N#C/C(=C/c1cscc1Cl)c1nc2ccccc2[nH]1	771839689	HEZPHGCKGWYYCD-UITAMQMPSA-N	285.759	4.342	50	20	CIGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1c[nH]c2ccccc12	797399111	ZUZOTRZEOIHEOL-CHWSQXEVSA-N	297.402	4.100	50	20	CIGD	
Cc1sccc1/C=C(\C#N)C(=O)C1CCCCC1	834430349	LMCMDQIIPCZUKR-NTEUORMPSA-N	259.374	4.113	50	20	CIGD	
CCCc1cccc(/C=C(\C#N)c2nc(C)cs2)c1	186858450	ZOANDHLJQGTKNT-OQLLNIDSSA-N	268.385	4.468	50	20	CIGD	
CC(C)C[C@H](CCl)CCOCc1ccccc1	306763844	JGYUJYFRXBFZQT-OAHLLOKOSA-N	254.801	4.494	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)CC[C@@H](C)c2ccccc2)c1	750423200	DRODCECZLYTJJM-MRXNPFEDSA-N	296.414	4.330	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	783707841	SOWCSYSIQWOQRY-HMHNVIDESA-N	278.355	4.065	50	20	CIGD	
CCn1c(C)cc(C(=O)NNc2ccc(C(C)C)cc2)c1C	837055935	OVTVTEXJGHCVKG-UHFFFAOYSA-N	299.418	4.005	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c(Cl)c1	844274879	JLXLCKVYYMEVFE-XYOKQWHBSA-N	261.752	4.171	50	20	CIGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1cccc(F)c1	1116813735	ZJQGHPAXOPVUMG-LICLKQGHSA-N	291.325	4.104	50	20	CIGD	
CC(C)(CCCc1ccccc1)C(=O)NNc1ccccc1	151256741	XCKQUHBNEXMTAG-UHFFFAOYSA-N	296.414	4.179	50	20	CIGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)CC(F)(F)F	728157052	RPDMQLKNHAAIEK-LLVKDONJSA-N	292.345	4.182	50	20	CIGD	
CCCCCCCOc1cccc(/C=C(/C#N)C(=O)O)c1	747810738	XXHOOMDPGQNNPU-PTNGSMBKSA-N	287.359	4.027	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2scc(C)c2Cl)c1	790803996	HMDPPRUBQXLUKK-UHFFFAOYSA-N	294.807	4.084	50	20	CIGD	
C[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1cccc(O)c1	808743760	ODVKWHNXFWUTEE-CYBMUJFWSA-N	295.499	4.065	50	20	CIGD	
C#CCC[C@H](C)OC(=O)CCCC[C@H]1CCSS1	839033860	JWHCNOQSABWTNE-STQMWFEESA-N	286.462	4.046	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	170851554	UTGFRAUMGYCHBV-UXBLZVDNSA-N	288.397	4.004	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)C(C)(C)C)c1	588488713	MJPVXQOUSTXIRL-LCYFTJDESA-N	273.401	4.321	50	20	CIGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1cc(C)cc(C)c1	748380256	MVPJVFLKGMAOGZ-QGZVFWFLSA-N	296.414	4.015	50	20	CIGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)C2CCCCC2)c1	767712742	FYBRVXOORMYLMO-BOPFTXTBSA-N	267.372	4.360	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1	772171659	LCWFFLRCJWGYKD-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
CC(=NNC(=O)c1cc2ccccc2o1)[C@H]1CCCC[C@H]1C	834964009	IOAQAJATIKJEJK-DOMZBBRYSA-N	298.386	4.365	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1C	98008592	GKIHVRJCCLFMSX-WJDWOHSUSA-N	287.366	4.254	50	20	CIGD	
Br[C@H]1CCC[C@H]1OCC1CCCCCC1	300922025	UMVMJDXQMLOMNO-QWHCGFSZSA-N	275.230	4.289	50	20	CIGD	
Cc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1F	588581018	YSZSOGFPBPHDCT-ZROIWOOFSA-N	289.313	4.142	50	20	CIGD	
CCCCCCCC(C)=NNC(=O)c1ccccc1OC	731487848	GJPSEHGRCFQWLC-UHFFFAOYSA-N	290.407	4.161	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1	741470018	OTXFFXWNYYSBKM-ZWSXMNCCSA-N	261.752	4.252	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)o1	834750400	BWCJEMLKBWZWIX-VEJQVVFISA-N	299.370	4.186	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	255212915	WNBUWPMITIOXDH-IZZDOVSWSA-N	299.267	4.367	50	20	CIGD	
CC(C)(C)C(=O)NN=C1CCC[C@@H]1c1ccc(Cl)cc1	741460102	MDNVOWOPALMGLA-CYBMUJFWSA-N	292.810	4.126	50	20	CIGD	
CC[C@@H](C)CCCCC(=O)NNc1ccc(C)cc1	753411590	SBCTVELTOSMBAG-CYBMUJFWSA-N	262.397	4.045	50	20	CIGD	
CCCc1cccc(/C=C(/C#N)C(=O)[C@H](C)CC)c1	773915950	RYCRUARNYDYHSO-YYTPVVGHSA-N	255.361	4.161	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	783711324	XHMSPYVBHJRGDT-VVBXCHJUSA-N	292.382	4.456	50	20	CIGD	
C/C(N)=C(/C#N)c1nc(-c2ccc3ccccc3c2)cs1	798227722	RDDWIJFMLVEHBA-RVDMUPIBSA-N	291.379	4.177	50	20	CIGD	
Fc1ccc([C@H](CBr)OC2CCCC2)cc1	50480444	KBIBFIFJMYZKOR-ZDUSSCGKSA-N	287.172	4.221	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	57547602	QDHUCUJGJTZMDP-XFFZJAGNSA-N	298.169	4.244	50	20	CIGD	
Cc1ccc(NNC(=O)c2coc3cc(C)c(C)cc23)cc1	184461587	PSMRPCWUYHLJFA-UHFFFAOYSA-N	294.354	4.115	50	20	CIGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(F)cc1F	743336297	GKEHBWWDDRTKDG-LLVKDONJSA-N	284.350	4.014	50	20	CIGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1ccc2ccccc2c1	783832506	KEHSKJQDDPAXNI-KGLIPLIRSA-N	294.398	4.382	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H]1c1ccc[nH]1	808734982	LPTUOPOMRCQWHW-HNNXBMFYSA-N	294.515	4.173	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1C[C@H]1C1CCC1	819629688	VQZNMDFJVNYVJX-HZSPNIEDSA-N	299.505	4.005	50	20	CIGD	
N#C/C(=C/c1csc(C(F)(F)F)c1)C(=O)C1CCCC1	863189333	IXQMAFKNUXGMAF-WZUFQYTHSA-N	299.317	4.433	50	20	CIGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2ccccc2)cc1C	7155934	RMYDHUNNLVZTHD-WOJGMQOQSA-N	275.351	4.402	50	20	CIGD	
Br[C@H]1CCCCC[C@@H]1OC1CCCCC1	50502640	QKFHXTWRVOLPPE-STQMWFEESA-N	275.230	4.432	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)c1ccsc1	178299181	XUPIJBPMXLCURV-VZUCSPMQSA-N	291.734	4.330	50	20	CIGD	
CCC[C@@H](NC[C@H](C)CBr)c1ccccc1	310018394	LYFRHGKVEMCGGK-TZMCWYRMSA-N	284.241	4.148	50	20	CIGD	
COc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1C	741474876	SVSZHHZYKPDGKN-ZSOIEALJSA-N	284.384	4.141	50	20	CIGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccoc1	798229530	DWZLCMUSLGYXDG-ZTJWTMSASA-N	263.296	4.016	50	20	CIGD	
N#C/C(=C\c1ccccc1)c1cc(C(F)(F)F)ccn1	812248848	RZVKPOYTWSKFSN-XYOKQWHBSA-N	274.245	4.165	50	20	CIGD	
Oc1nc(CCCl)nc2scc(C3CCCCC3)c12	824076175	LDRZDVOQUWCFPC-UHFFFAOYSA-N	296.823	4.226	50	20	CIGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2sccc2C)c1	921269261	KNWOWFGGTQRVAS-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccccc1F	212674426	GWKFYJONALBSKC-WQLSENKSSA-N	285.705	4.269	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H]1C1CC1	370761687	XHOUDEUDOUTNNE-KGLIPLIRSA-N	299.505	4.102	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1sccc1Cl	588601302	RMXSQDQJJAXQBG-SBMLRHLQSA-N	267.781	4.314	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c(C)c1	729824137	YDWRNXCNCUUEFL-DHDCSXOGSA-N	281.380	4.463	50	20	CIGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](C(C)(C)C)CC2)o1	746578491	NTGNEZUEOZJMJQ-ZDUSSCGKSA-N	290.407	4.300	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(F)cc1	821090464	YBXPFIAUESDKFK-UHFFFAOYSA-N	294.446	4.135	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2cccc(OC(C)C)c2)n1	49391243	ORZPQZHYBVRLDE-AUWJEWJLSA-N	284.384	4.303	50	20	CIGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cccc2ncccc12	730146452	WTSUMYDOPPNPIG-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)s1	731156013	YNZONXOHNOCSRQ-JLHYYAGUSA-N	296.395	4.165	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	731564393	CRHKPCFFYDDHRX-YYTPVVGHSA-N	297.398	4.312	50	20	CIGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cccc2ncccc12	748251643	MSVQEINYJJXMQT-CYBMUJFWSA-N	297.402	4.167	50	20	CIGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccncn1	758914980	WVSJKBSPPKIFDZ-LDADJPATSA-N	283.334	4.208	50	20	CIGD	
CC(CCC1CC1)=NNC(=O)c1ccc2ccccc2c1	768767850	KEDHNBRCFDVKQU-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
COc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)ccc1C	843266525	WWHIKVPFCHLWMU-AUWJEWJLSA-N	296.395	4.402	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)c1nc(C2CC2)cs1	866009297	YPPUUJSOLQGFEH-RIYZIHGNSA-N	266.369	4.393	50	20	CIGD	
CC[C@H](C)O[C@@H](CBr)c1ccccc1F	50480013	PSZQYUOYWIXDIM-CABZTGNLSA-N	275.161	4.077	50	20	CIGD	
CC(C)(CCl)Cc1ccc(Br)s1	85042777	IUYPFNHTYVQMKM-UHFFFAOYSA-N	267.619	4.318	50	20	CIGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1cccc(F)c1	194532025	NUWRRNYNUAXQPT-MDWZMJQESA-N	285.705	4.269	50	20	CIGD	
CC[C@H](NC[C@H](C)CBr)c1ccc(C)cc1	381446107	FVPZTTQINCNABS-OCCSQVGLSA-N	284.241	4.067	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	731564392	CRHKPCFFYDDHRX-XDUBLRSXSA-N	297.398	4.312	50	20	CIGD	
Cc1cccc(CN(C)/C(=C/C#N)c2ccc(F)cc2)c1	750791981	QTOXMGXOGBRXRU-VCHYOVAHSA-N	280.346	4.131	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc3occc3c2)n1	794685436	GQSKGFASHFCJGA-QPEQYQDCSA-N	266.325	4.262	50	20	CIGD	
Cc1cc(C)cc(C(=O)NNc2c(C)cccc2C(C)C)c1	812769621	PLDUNRADGMEDAE-UHFFFAOYSA-N	296.414	4.492	50	20	CIGD	
C=CCC(C)(C)C(=O)NNc1cccc(Cl)c1Cl	838344006	BIZAZJKDPHYRFF-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
CC[C@@H](C)C(=O)NN=CC1CCC(c2ccccc2)CC1	1321332047	LFKUTNRIVVRBJL-HPUBIQBYSA-N	286.419	4.109	50	20	CIGD	
Cn1c(/C(C#N)=C\c2ccccc2Cl)nc2ccccc21	33248176	YALDDRZBFNCBQP-RAXLEYEMSA-N	293.757	4.291	50	20	CIGD	
CCC[C@@H](CC)NC(=O)CCCC[C@H]1CCSS1	195149817	WFRHHMCAZXKJFQ-OLZOCXBDSA-N	289.510	4.395	50	20	CIGD	
CC(C)N(C(=O)CCCC[C@H]1CCSS1)C1CC1	728865414	IIQNUSVGKCSPTA-ZDUSSCGKSA-N	287.494	4.100	50	20	CIGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(F)cc1F	743336298	GKEHBWWDDRTKDG-NSHDSACASA-N	284.350	4.014	50	20	CIGD	
CCC[C@H](C)C(CC)=NNC(=O)c1ccc(Cl)cc1F	748248025	CGYTVVHBOUCXEW-JTQLQIEISA-N	298.789	4.411	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@@H](c2ccccc2)C(C)C)cc1	749203646	WVADUEOBLCMXQI-GOSISDBHSA-N	296.414	4.268	50	20	CIGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)c2ccsc2)s1	758419262	UVAIXUKULUNHCN-VZUCSPMQSA-N	288.397	4.118	50	20	CIGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)C2CCCCC2)c1	767713559	KMOANJHWSNXFGB-XNTDXEJSSA-N	271.335	4.191	50	20	CIGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)c2ccccc2F)C1	794455342	FLJZRQFUZQINTO-ZDUSSCGKSA-N	290.382	4.148	50	20	CIGD	
O=C(CCCC1CC1)NNc1ccc(Cl)cc1Cl	812536749	NMQCZWVYDHWSKC-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
Cc1csc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	828100804	AQNZWPZSVOFXIS-UHFFFAOYSA-N	288.416	4.111	50	20	CIGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccccc1	915933946	NBBONNSHYFXZOI-UHFFFAOYSA-N	294.398	4.160	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1ccccc1C	212130629	MCHUYSTUVRPITM-WJDWOHSUSA-N	261.324	4.093	50	20	CIGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)c1cccc(Cl)c1	748440044	DQDKYCGAAZSJEZ-WUXMJOGZSA-N	298.754	4.063	50	20	CIGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)C1CCCCC1	767713275	JRKCNRUKDGAYFV-FMIVXFBMSA-N	275.298	4.021	50	20	CIGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1F	785363839	RGARUEKKPQBGTH-WDGDVPDHSA-N	295.313	4.037	50	20	CIGD	
CC(C)c1ccc(NNC(=O)c2cc[nH]c2C(C)C)cc1	837054133	UKKJYIIGHYGLCJ-UHFFFAOYSA-N	285.391	4.018	50	20	CIGD	
CCCc1ccc(/C=C(\C#N)C(=O)c2ccc(C)o2)s1	857202766	SXALCWGSAIPUEF-FMIVXFBMSA-N	285.368	4.392	50	20	CIGD	
CCCCCC[C@@H](CC)C(=O)NNc1ccc(OC)cc1	746885991	DWZTWQVPSUNMGL-CQSZACIVSA-N	292.423	4.135	50	20	CIGD	
O=C(/C=C\C1CCCCC1)NNc1ccc(Cl)c(F)c1	748899142	UXEYKCHSDYHNKX-TWGQIWQCSA-N	296.773	4.059	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771840582	LEXOMEYFHFGDHC-POHAHGRESA-N	299.267	4.367	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	782196533	BKDPWBOYLASXDO-ISAHRAOESA-N	265.715	4.001	50	20	CIGD	
C=C[C@@](C)(CC)C(=O)NNc1c(Cl)cccc1Cl	785606560	LIPPSFZXEYUUNV-ZDUSSCGKSA-N	287.190	4.039	50	20	CIGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)C1CCCC1	789149578	ZUPNJQRUGQPRAY-WQLSENKSSA-N	298.367	4.069	50	20	CIGD	
CC(C)n1nccc1/C=C(/C#N)c1ccc2ccccc2n1	794937377	ILWBRLFVQJVTMK-PTNGSMBKSA-N	288.354	4.076	50	20	CIGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccoc2C)c1C	840733188	NLNVFETUAMUPIJ-YBEGLDIGSA-N	296.370	4.206	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)c(Cl)c1	844274878	JLXLCKVYYMEVFE-WQLSENKSSA-N	261.752	4.171	50	20	CIGD	
CC(C)C[C@H](C)N(C(=O)CCl)c1ccc2[nH]ccc2c1	1341523544	CPEVKOCMNWMXMF-LBPRGKRZSA-N	292.810	4.174	50	20	CIGD	
N#C/C(=C/c1ccc2ccccc2c1)c1ccccn1	6816951	XUMHYMPANVFDHD-ATVHPVEESA-N	256.308	4.299	50	20	CIGD	
CC(C)(C)[C@@H](CBr)COCc1ccccc1	83182408	QPGIHFYPFWFCKB-ZDUSSCGKSA-N	285.225	4.260	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2C#N)n1	121291860	HZOKSNACDSNPIO-VGOFMYFVSA-N	279.368	4.202	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)s1	125468278	RESDJXWGCUZDMV-YIXGCBLDSA-N	267.781	4.314	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cc(Cl)ccc2F)n1	152164979	RITJFQJPDRLICF-ONNFQVAWSA-N	278.739	4.308	50	20	CIGD	
Cc1cc(SC(C)(C)C)ccc1NC=C(C#N)C#N	158523094	ARJKSIZSBXQMSD-UHFFFAOYSA-N	271.389	4.229	50	20	CIGD	
Cc1cccc(NNC(=O)CCCC2CCCCC2)c1	215777611	MYENIMBDEUYYAZ-UHFFFAOYSA-N	274.408	4.189	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2c(Cl)cccc2Cl)C1	727781894	ZKRRFMHCIPOLMN-VIFPVBQESA-N	299.201	4.289	50	20	CIGD	
C=CCCC(C)=NNC(=O)c1ccc(Cl)cc1Cl	758096551	LXDFTZUYRWHSGN-UHFFFAOYSA-N	285.174	4.065	50	20	CIGD	
CCCCCC(C)(C)C(=O)NNc1ccc2ccccc2n1	777460757	WVYNHYIGLLREPC-UHFFFAOYSA-N	299.418	4.284	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(Cl)cncc1Cl	865223641	KMWCVLIWZGCVSO-WEVVVXLNSA-N	297.185	4.301	50	20	CIGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccccc1	5155495	XTQDOYHGOFGJCH-RVDMUPIBSA-N	286.334	4.266	50	20	CIGD	
Cc1ccccc1[C@H](CBr)OC(C)(C)C	50479945	XOGUYIKQNFAKNW-LBPRGKRZSA-N	271.198	4.246	50	20	CIGD	
CC[C@H](C)OC1(CBr)CCCCCC1	50480051	IBKJCACRGKKAEE-NSHDSACASA-N	263.219	4.289	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	172522944	QXOPCJBVHLYLGS-XYOKQWHBSA-N	290.432	4.353	50	20	CIGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc2ccccc2n1C	182053456	GFVHRHQLIPDBRD-NTEUORMPSA-N	291.329	4.085	50	20	CIGD	
C[C@H](O[C@H]1CCC[C@H]1Br)c1ccccc1	251569905	UMAIDGMSJGCXIV-UHTWSYAYSA-N	269.182	4.080	50	20	CIGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)CC(C)C	726184363	SUHVZDLXWAJJIX-RVDMUPIBSA-N	293.366	4.371	50	20	CIGD	
CC(=NNC(=O)C1CCC1)c1ccc(-c2cccs2)cc1	731932285	GCUSADLIUSIHKQ-UHFFFAOYSA-N	298.411	4.055	50	20	CIGD	
O=C(C[C@H]1C=CCCC1)NNc1ccc(Cl)cc1Cl	779008691	YRZDTSZJRZWVIR-JTQLQIEISA-N	299.201	4.183	50	20	CIGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)CC(C)C	780004762	PPYZIWASXBQZJW-UKTHLTGXSA-N	291.778	4.261	50	20	CIGD	
Cc1occc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	840734170	DXWZRQSBHQFIAY-GHXNOFRVSA-N	272.373	4.406	50	20	CIGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cc2c(s1)CCC2	915947430	UOKIKGICOUGFNN-NSHDSACASA-N	292.448	4.169	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2cnccc2c1	1343927835	PRGABZSOXZATQQ-WQRHYEAKSA-N	298.345	4.333	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccccc1OC(F)(F)F	254944914	MJMXCQFHUOIZQN-WQLSENKSSA-N	297.276	4.107	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)s1)c1cnc2ccccc2n1	588580703	OWLVARXYXHFFON-YFHOEESVSA-N	297.770	4.409	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	782197208	PHTPXNJRPAHKIV-KPKJPENVSA-N	279.742	4.391	50	20	CIGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1=CCCCCC1	791720628	QSQOLHFSVCIZMW-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
N#C/C(=C\c1cccc(F)c1C#N)c1ccc2ccccc2n1	811686839	ASPATOBVVFMBFX-XNTDXEJSSA-N	299.308	4.310	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccccc2Cl)sc1C	125426171	MOFZFNTUUGPUOF-GHXNOFRVSA-N	274.776	4.478	50	20	CIGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1cc(F)cc(F)c1	193163783	RERBGBQTRGUYCP-UQAUATQKSA-N	295.288	4.311	50	20	CIGD	
C=CC[C@H](C)C(C)=NNC(=O)Cc1ccc2ccccc2c1	727778736	PXQOOOWLKOLAJU-AWEZNQCLSA-N	294.398	4.087	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	733205314	RJRBELYBJKSTKJ-UXBLZVDNSA-N	299.267	4.367	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1nccc2ccccc12	740765027	NUUBKQWCAYSSOU-UVTDQMKNSA-N	278.355	4.147	50	20	CIGD	
C=CCC(CC=C)C(=O)NNc1c(Cl)cccc1Cl	763610407	GJZIJGYKEBXIMK-UHFFFAOYSA-N	299.201	4.205	50	20	CIGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781553870	YSAAUXXFWDZEQT-BOPFTXTBSA-N	267.372	4.476	50	20	CIGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)C1CCCCC1	905072911	GODFQOIROWKKAQ-FOWTUZBSSA-N	290.366	4.291	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1319114146	ZAKQVGVLEYBVLX-PDGQHHTCSA-N	287.362	4.274	50	20	CIGD	
CCCCCNC(=O)CCCC[C@H]1CCSS1	61468319	QWNURSNUEKQOMB-LBPRGKRZSA-N	275.483	4.007	50	20	CIGD	
COc1ccc(C)cc1/C=C(/C#N)c1nc(C)c(C)s1	125456537	QPNJJADKEFEVNJ-ZSOIEALJSA-N	284.384	4.141	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2ccc3ccccc3c2)c1	127632235	SOXLNATVCYLWHM-UHFFFAOYSA-N	290.366	4.214	50	20	CIGD	
CC(C(=O)NNc1ccccc1C(F)(F)F)=C1CCCC1	176528773	GEPGXPMVTNTWKY-UHFFFAOYSA-N	298.308	4.039	50	20	CIGD	
CN(N=C[C@H]1CCCC(C)(C)C1)C(=O)OC(C)(C)C	752726594	HYEJCPNJGFJFBH-LBPRGKRZSA-N	268.401	4.056	50	20	CIGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)C1CCCC1	781555662	NHFONMCRLMQKBK-UVTDQMKNSA-N	279.339	4.408	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc2c(c1)COC2	799891926	JMHYABLUIXAGSU-DAXSKMNVSA-N	298.769	4.352	50	20	CIGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccccc1F	916291168	RGQOZJPHPBAVMT-QUVZVDGRSA-N	288.366	4.234	50	20	CIGD	
CCc1cccc2c(/C=C(/C#N)C(=O)C(C)(C)C)c[nH]c12	96663116	VIBPOGSBLZTWIK-LCYFTJDESA-N	280.371	4.252	50	20	CIGD	
N#CC(C#N)=CNCc1ccccc1-c1ccc(Cl)cc1	102631381	VIVSQFVSJYHPOP-UHFFFAOYSA-N	293.757	4.028	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	729822962	FKEOBRMBUWNTMZ-OQLLNIDSSA-N	281.380	4.463	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)cc(Cl)c2)c1	748362075	IPWNBPSKUYGFKQ-UHFFFAOYSA-N	288.778	4.022	50	20	CIGD	
CC(C)CC1(C(=O)NNc2ccc(F)cc2F)CCCC1	755785902	OQPBNWWDZOGOKP-UHFFFAOYSA-N	296.361	4.014	50	20	CIGD	
Cc1ccccc1CC(=O)NNc1c(C)cccc1C(C)C	812765147	XPECTVDTTOWDNA-UHFFFAOYSA-N	296.414	4.113	50	20	CIGD	
Cc1cccc(C)c1Oc1ccccc1NC=C(C#N)C#N	920177090	HNXOIMJVAVQTRG-UHFFFAOYSA-N	289.338	4.439	50	20	CIGD	
Cn1cc(C(=O)NN=C2CCCCCCC2)c2ccccc21	7917098	WWJPGUJXHOQYDV-UHFFFAOYSA-N	297.402	4.008	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(F)cc2)n1	83015605	NIVNLEJYWYFZHY-GHXNOFRVSA-N	272.348	4.470	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC)cc1Cl	726117744	CUGJSLQBNDVHGB-JYRVWZFOSA-N	291.778	4.261	50	20	CIGD	
O=C(NNc1cccc(F)c1)Nc1cccc2ccccc12	747831552	SBNQVGGIYHXVMM-UHFFFAOYSA-N	295.317	4.128	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758062535	KDFMUUNGSKKMAP-DEDMTRSISA-N	275.298	4.043	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)c(C)o1	767887376	UACZBEHCXSQEBI-NTUHNPAUSA-N	271.341	4.056	50	20	CIGD	
CCCN(N=Cc1cc(C)sc1C)C(=O)OC(C)(C)C	794996220	BHPWOSHFZPBKBU-UHFFFAOYSA-N	296.436	4.346	50	20	CIGD	
CCCN(N=C1CC(C)(C)C[C@@H]1C)C(=O)OC(C)(C)C	794997741	DPHGJKBEAFJFGB-LBPRGKRZSA-N	282.428	4.446	50	20	CIGD	
CCCC(CC)=NN(CCC)C(=O)OC(C)(C)C	794998243	KRKAUWPNPNFGKG-UHFFFAOYSA-N	256.390	4.200	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc(Cl)nc2Cl)n1	797406538	UKIWKJFFVGQVJM-WTKPLQERSA-N	296.182	4.218	50	20	CIGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)c1ccoc1	798229757	HPQWMDDHLADXDJ-YBEGLDIGSA-N	273.291	4.223	50	20	CIGD	
CCOc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843266578	XPSDKBYZVMTWGT-RIYZIHGNSA-N	296.395	4.483	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)C(CC)CC)cc1	726118847	RQHKWZCUAVTVCF-LFIBNONCSA-N	255.361	4.161	50	20	CIGD	
Cc1csc(/C(C#N)=C\c2ccc3cnccc3c2)n1	779796839	COGVNXOCUCLORO-CHHVJCJISA-N	277.352	4.064	50	20	CIGD	
N#CC1=CCN(CC2CCC(c3ccccc3)CC2)CC1	781905274	YLSMLZRKERBHOS-UHFFFAOYSA-N	280.415	4.116	50	20	CIGD	
CCC[C@H](NC(=O)CCl)c1ccc(Cl)c(Cl)c1	1320466798	QBQBGUCGYNBSQP-NSHDSACASA-N	294.609	4.190	50	20	CIGD	
CCCCO[C@]1(CBr)CCC[C@@H](C)C1	50503458	JSRJYSWVGYDNBG-VXGBXAGGSA-N	263.219	4.147	50	20	CIGD	
N#C/C(=C/c1ccccc1Cl)c1cnc2ccccc2n1	588580380	GLHLUBPVAFGAPX-LCYFTJDESA-N	291.741	4.347	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1C	588580509	IUECGBLUEJEJCS-YBEGLDIGSA-N	285.350	4.311	50	20	CIGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)c2ccccc2)cc1	741836810	FOKIIIXZVPLZSD-QGZVFWFLSA-N	292.382	4.049	50	20	CIGD	
COc1ccc(CN(C)/C(=C/C#N)c2ccccc2)cc1C	750796543	QYSOYKVJSVAKLJ-WOJGMQOQSA-N	292.382	4.000	50	20	CIGD	
C[C@@H]1CN(/C(=C/C#N)c2ccccc2)[C@@H]1c1ccccc1	750800630	VTMFKSUWBYVIME-YTMOXHBLSA-N	274.367	4.244	50	20	CIGD	
O=C(C[C@H]1C=CCCC1)NNc1c(Cl)cccc1Cl	778989962	IBGPWWQCCFLPBO-JTQLQIEISA-N	299.201	4.183	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1Cl	781554385	NYGSRYUGDUYJQU-ZROIWOOFSA-N	273.763	4.315	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)c(C)c1	899345901	XSWYRGOIQAYTFO-RIYZIHGNSA-N	296.395	4.402	50	20	CIGD	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)c1ccccc1	6538768	BVQYAOVOZXOEGN-SFQUDFHCSA-N	291.350	4.264	50	20	CIGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccccc1F	8201747	GWKFYJONALBSKC-XYOKQWHBSA-N	285.705	4.269	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2sccc2C(C)C)c1	97106294	QBEXIMSOBMEECD-UHFFFAOYSA-N	288.416	4.245	50	20	CIGD	
CC[C@@](C)(CBr)COCc1ccccc1	230090541	ASULSWLUGOJCMC-ZDUSSCGKSA-N	271.198	4.014	50	20	CIGD	
CC(C)(CCCCCl)c1nc(O)c2ccccc2n1	278333018	UIEPKRDQLJLINO-UHFFFAOYSA-N	278.783	4.022	50	20	CIGD	
CCC(=CC(=O)NNc1cc(Cl)cc(Cl)c1)CC	791726888	NWBSNEJLJDZGGG-UHFFFAOYSA-N	287.190	4.183	50	20	CIGD	
CCCN(N=Cc1ccc(F)c(C)c1)C(=O)OC(C)(C)C	794998040	HMKLQUVGBZVVIB-UHFFFAOYSA-N	294.370	4.115	50	20	CIGD	
ClCCCOc1ccc(CNc2ccccc2)cc1	811470028	SCAGBZHIMLZZNA-UHFFFAOYSA-N	275.779	4.306	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCC1CCN(CCCC#N)CC1	844345139	NVQUBXWZOFNSJD-UHFFFAOYSA-N	296.531	4.024	50	20	CIGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1	8200393	KLXTYULGJPBFJW-NTCAYCPXSA-N	295.338	4.248	50	20	CIGD	
CC[C@@H](CC(=O)NNc1cccc(C)c1)c1ccccc1	109427306	WSMGGINXORVIOP-HNNXBMFYSA-N	282.387	4.022	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1coc2ccccc12	160227688	QDWXAFPVGVMXNL-UKTHLTGXSA-N	267.328	4.345	50	20	CIGD	
Cc1cc(/C(C#N)=C\c2ccccc2F)ccc1[N+](=O)[O-]	255163809	MSYYDKRMJKDZOL-ZROIWOOFSA-N	282.274	4.107	50	20	CIGD	
C[C@H](O[C@H]1CCCCC[C@H]1Br)C(F)(F)F	306231648	BJQAJAFVAZOZBX-YIZRAAEISA-N	289.135	4.050	50	20	CIGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cccc(C)c1C	727654427	DWRLLCGYWBJGNS-ZROIWOOFSA-N	281.380	4.463	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741845520	ZGBSXCQHSOXUMI-WQLSENKSSA-N	271.291	4.094	50	20	CIGD	
CC(C)=C(C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425565	PDTHOPSDBINNDK-UHFFFAOYSA-N	285.299	4.010	50	20	CIGD	
Cc1ccccc1/C=C(\C#N)C(=O)C1CCCCC1	767713608	LMVWAPCVVCIIHR-LFIBNONCSA-N	253.345	4.051	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C\c1ccccc1	794954221	NAIVCQWYJLTMIZ-SEYXRHQNSA-N	294.398	4.275	50	20	CIGD	
Cc1ccnc(NCc2ccc(OCCCCl)cc2)c1	811476086	YJOXFGAYWPSDPJ-UHFFFAOYSA-N	290.794	4.010	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)o1	812763106	OZHZGDJWZWVDKA-UHFFFAOYSA-N	292.766	4.122	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc2ncccc12	871660656	WXSAFMHIVBPPCN-LKKYZFDUSA-N	278.355	4.147	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1	16391368	KEYNJPTTXCHGQV-RVDMUPIBSA-N	295.338	4.167	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2C)s1	105570894	CQFFISPZLPQEAI-ZROIWOOFSA-N	267.353	4.155	50	20	CIGD	
C[C@H](NC[C@@H](C)CBr)c1ccccc1Cl	133927935	YONKJJSNNMXDDQ-UWVGGRQHSA-N	290.632	4.022	50	20	CIGD	
CC(C)C(=NNC(=O)c1ccccc1)C1CCCCC1	733902587	WDKWYWGVWRISES-UHFFFAOYSA-N	272.392	4.009	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	741473420	IJQSEKPJQQAPIN-BVTUPMQUSA-N	297.398	4.312	50	20	CIGD	
N#C/C=C(/c1ccccc1)N1CCC[C@H]1c1ccsc1	750791075	CWZIZYLRTLKKER-PDEJURLFSA-N	280.396	4.450	50	20	CIGD	
CSc1cc(/C(C#N)=C/C(C)=C/c2ccccc2)ncn1	773170037	CGTPWVDROQNZSB-TVXJZBATSA-N	293.395	4.209	50	20	CIGD	
O=C1/C(=C\c2cccc(CCl)c2)Cc2ccc(F)cc21	799891173	AFDJVBUMNHPHKO-AUWJEWJLSA-N	286.733	4.387	50	20	CIGD	
COCc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	843264102	GOCZUHCTZDNRAD-NVNXTCNLSA-N	296.395	4.231	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C\c2ccc3c(c2)CCO3)n1	83015635	MNUJLXIMWTVKEJ-ZSOIEALJSA-N	296.395	4.266	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	741473419	IJQSEKPJQQAPIN-ATTDUZETSA-N	297.398	4.312	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cscc2Cl)n1	771836215	AZXQJICJRJBDFJ-KRXBUXKQSA-N	266.778	4.231	50	20	CIGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)C2CCCC2)s1	790609134	JAXFVCJZHLPDMB-XYOKQWHBSA-N	288.416	4.107	50	20	CIGD	
CCCN(N=C1CCC(C)(C)C1)C(=O)OC(C)(C)C	794997661	ZWCJPOCFERORDB-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
CC(C)c1cccc(/C=C(\C#N)C(=O)C(C)(C)F)c1	853002673	SDEIQROZKZXYRB-NTEUORMPSA-N	259.324	4.034	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1	8200411	VJMSFTKXYCJPHO-XNTDXEJSSA-N	265.312	4.193	50	20	CIGD	
CC1CCC(CBr)(OC(C)(C)C)CC1	50479960	MREVMHXACAOSJC-UHFFFAOYSA-N	263.219	4.145	50	20	CIGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(C)cc1	154300840	IJADQAXKIJQJLB-ATVHPVEESA-N	291.350	4.184	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	255166945	XWCOEJSBYXCZJD-WUFUFFIZSA-N	281.277	4.016	50	20	CIGD	
CCCCCC(CCCCC)=NNC(=O)c1ccc[nH]1	743433378	CTFIBMOWNAXKHD-UHFFFAOYSA-N	277.412	4.261	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CC[C@@H](C)c2ccccc2)c1	750423885	LDPKHTNHVWVDNW-OAHLLOKOSA-N	296.414	4.330	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758062537	KDFMUUNGSKKMAP-RGPSMDDSSA-N	275.298	4.043	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(Cl)cncc1Cl	865220104	CYNWPFQHANHXRQ-UMYFRRCYSA-N	297.185	4.301	50	20	CIGD	
CCCCCC[C@H](CC)C(=O)NNc1cccc(C)c1	740922816	YKQZILKWWXCJQX-HNNXBMFYSA-N	276.424	4.435	50	20	CIGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)c1cccc(Cl)c1	748997460	DVRJWFXZTWUDOW-YRNVUSSQSA-N	298.754	4.063	50	20	CIGD	
COc1cc(NNC(=O)CCCC(C)(C)C)ccc1Cl	790177126	YPUJAPVYADKAAN-UHFFFAOYSA-N	298.814	4.008	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2CC(C)C)c1	790804852	SSGCEKYTRKMSCU-UHFFFAOYSA-N	296.414	4.259	50	20	CIGD	
C=CC[C@@H](CC)NCc1ccc(OCCCCl)cc1	811500717	LQGLTTKGFVOKHM-OAHLLOKOSA-N	281.827	4.139	50	20	CIGD	
COc1cccc(C)c1/C=C(\C#N)c1nc(C)c(C)s1	834425488	VFDMBTSLNJBNAR-MDWZMJQESA-N	284.384	4.141	50	20	CIGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	742350066	OBGLIBONSNIQSG-LCYFTJDESA-N	277.279	4.124	50	20	CIGD	
C[C@@H](CBr)CN(C1CC1)[C@H](C)c1ccccc1	770654336	BYXCSQFAXFOWMW-QWHCGFSZSA-N	296.252	4.243	50	20	CIGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1ccccc1F	790100954	UUJCNGPTDCCRLV-JXMROGBWSA-N	291.734	4.330	50	20	CIGD	
CCC(C)(C)c1ccc(CN2CC=C(C#N)CC2)cc1	795969315	OBKGVFVQMMLICR-UHFFFAOYSA-N	268.404	4.030	50	20	CIGD	
CC[C@H](C)CC=NNC(=O)c1c(Cl)cccc1Cl	834953968	PSIVVGRRHPUEPK-VIFPVBQESA-N	287.190	4.145	50	20	CIGD	
N#CC(C#N)=Cc1c(Cl)ccc(Cl)c1Cl	2033805	YSRDGZIPOBZBCA-UHFFFAOYSA-N	257.507	4.077	50	20	CIGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2sccc2C)cc1	6209561	BSMUGVREBJLHFY-GXDHUFHOSA-N	296.395	4.165	50	20	CIGD	
Cc1cccc(/C=C(\C#N)c2ccccn2)c1OC(F)F	182049770	DJTMQQOBRXTCLR-UKTHLTGXSA-N	286.281	4.056	50	20	CIGD	
CC[C@H](C)O[C@@H]1CCCCCC[C@H]1Br	253139832	WGNYMVGKNBRQLE-QJPTWQEYSA-N	263.219	4.288	50	20	CIGD	
BrCc1c(-c2ccsc2)n[nH]c1C1CCC1	409442922	DFYKJWVZQMGGOR-UHFFFAOYSA-N	297.221	4.301	50	20	CIGD	
CCCCCCCC(=O)NNc1cc(C)ccc1C	748419606	WMTCYEYZJGLURD-UHFFFAOYSA-N	262.397	4.107	50	20	CIGD	
N#C/C(=C\c1ccccc1C#N)c1ccc2ccccc2n1	755588330	PRJHVEPKKVVGEM-GZTJUZNOSA-N	281.318	4.171	50	20	CIGD	
CCSc1cccc(/C=C(/C#N)C(=O)[C@@H](C)CC)c1	769726685	PKBIPHPMESYGTE-CJAAZZPWSA-N	273.401	4.321	50	20	CIGD	
CC(/C=C(/C#N)C(=O)C(C)(C)C)=C\c1cccc([N+](=O)[O-])c1	787168052	IAUAULBGSHWFRT-DRIRWXSCSA-N	298.342	4.063	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccn2C2CC2)c1C	1326045524	IORMDKZPQYSVJX-RVDMUPIBSA-N	290.366	4.230	50	20	CIGD	
Cc1ccc(Oc2ccccc2NC=C(C#N)C#N)cc1	15241247	FAGZHHFALLHARJ-UHFFFAOYSA-N	275.311	4.130	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C)c(C)c1	726118157	JOOHZKAOWOKCNK-MHWRWJLKSA-N	255.361	4.216	50	20	CIGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cccc(Cl)c1	737420900	NEOWUWZTLLQUTB-LBPRGKRZSA-N	290.794	4.026	50	20	CIGD	
O=C(NNc1ccccc1)Nc1cccc2ccsc12	770074291	TZMYKCOHWTXFDE-UHFFFAOYSA-N	283.356	4.050	50	20	CIGD	
Cc1nc(/C(C#N)=C\c2ccc3cnccc3c2)sc1C	782343002	TZJGMVVFYXHTNY-PXNMLYILSA-N	291.379	4.372	50	20	CIGD	
N#C/C(=C\c1ccco1)C(=O)c1cc2ccccc2s1	788329354	UKFDXEYMHIRMDH-XYOKQWHBSA-N	279.320	4.284	50	20	CIGD	
CCCCCCCC(=O)NNc1ccc(Cl)c(OC)c1	790180898	PSMIIVCOQLNRQJ-UHFFFAOYSA-N	298.814	4.152	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc2occc2c1	794691129	MHDWDYODIKAZCQ-NTEUORMPSA-N	267.328	4.345	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(C2CC2)cc1	840716548	YJSFRMZNWVONOP-XNTDXEJSSA-N	253.345	4.086	50	20	CIGD	
N#C/C(=C\c1ccccc1F)c1nc(C2CC2)cs1	864287440	YCZWVKFEWLBLRP-KPKJPENVSA-N	270.332	4.224	50	20	CIGD	
Cc1ccccc1[C@H](CBr)OCC(C)C	50480837	RJBFPTFIAVMFKR-ZDUSSCGKSA-N	271.198	4.104	50	20	CIGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)o1	194534064	ITPKXGNMQLKUAZ-DHQBTWJTSA-N	295.313	4.332	50	20	CIGD	
C[Si](C)(C)OC1=C(O[Si](C)(C)C)CCCC1	195788900	YKQGJUUJUGPEQD-UHFFFAOYSA-N	258.510	4.475	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccsc2)c(C)n1C1CC1	298830401	WBTYTYRKWPAHCR-OVCLIPMQSA-N	296.395	4.291	50	20	CIGD	
Cc1ccc(NNC(=O)C[C@H](C)C2CCCCC2)cc1	749200367	CVVNVXCQWDYHLP-AWEZNQCLSA-N	274.408	4.045	50	20	CIGD	
O=C(NNc1ccc(Cl)cc1Cl)C1=CCCCCC1	775881420	DBQPACHJKGEEFQ-UHFFFAOYSA-N	299.201	4.327	50	20	CIGD	
C[C@H](CBr)CN1C[C@@H](C)C[C@H]1c1ccccc1	796618584	INFZZTUWXRQUQO-GUTXKFCHSA-N	296.252	4.101	50	20	CIGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)c1ccoc1	806557490	UKMJPUCTDPTUPL-GDNBJRDFSA-N	289.290	4.329	50	20	CIGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(OCC)cc1	817889284	CVGSOIYFTWCAHK-CQSZACIVSA-N	292.423	4.135	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(C2CCC2)cc1	834417366	MDSUDMDJIUWPNC-YBEGLDIGSA-N	253.345	4.086	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)c(C)c1	834743347	BVWBNRWEYJQOTP-WJDWOHSUSA-N	283.371	4.086	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	16883046	MSTLGMGUYJLIEJ-RVDMUPIBSA-N	279.314	4.178	50	20	CIGD	
CCc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)s1	731155698	QBGHRGWLCRYTIO-ZRDIBKRKSA-N	293.395	4.261	50	20	CIGD	
CC[C@H]1CCCC(=NNC(=O)c2cccc(Cl)c2)C1	734977931	NIGRDMUYDJACDY-NSHDSACASA-N	278.783	4.026	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758017340	PUAGBGZMJZNDET-NWNZELPYSA-N	299.276	4.212	50	20	CIGD	
CCc1ccc(C(=O)NN=C(C)CCCC(C)C)cc1	764660726	ROQDYCLLNXJAMG-UHFFFAOYSA-N	274.408	4.181	50	20	CIGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)C1CCCCC1	799892010	KVZGETYRAGVYJG-YBEGLDIGSA-N	287.790	4.482	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccs2)cc1C	809145940	KARNYKAJJDDXHE-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
CCCN(N=C(CC)C1CCC1)C(=O)OC(C)(C)C	834976849	BGWDEJWDWVCBKK-UHFFFAOYSA-N	268.401	4.200	50	20	CIGD	
C[C@@H](Nc1ccc(NC(=O)CCl)cc1)c1ccccc1	1319675301	ZJAHEWXTABMWJL-GFCCVEGCSA-N	288.778	4.037	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(F)cccc1F	44028322	FUMXIRXVILLMOG-JXMROGBWSA-N	289.306	4.125	50	20	CIGD	
Cc1ccc(NC(=O)/C(C#N)=C/C=C\c2ccccc2)cc1	212118921	JZGDCTDHRHAZMS-ZOTODKCHSA-N	288.350	4.097	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)cs1	263655673	IFUQUBKPBNUAQR-HMXLAXJASA-N	298.205	4.033	50	20	CIGD	
Cc1ccccc1C(=O)NN=C1CCC[C@@H]1CCC(C)C	727253248	FBFONIVMIGOTBU-OAHLLOKOSA-N	286.419	4.317	50	20	CIGD	
N#C/C(=C/c1coc2ccccc12)C(=O)C1CCCCC1	746519930	IERFXUZKNXYKNC-UVTDQMKNSA-N	279.339	4.489	50	20	CIGD	
CN(CCc1ccccc1F)/C(=C/C#N)c1ccc(F)cc1	750802524	ZNBXODOGSLVRFE-VCHYOVAHSA-N	298.336	4.004	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	755407407	VQNZLIVNSDPTJJ-CAXXOGMASA-N	299.267	4.367	50	20	CIGD	
CCC/C(C)=C/C(=O)NNc1cc(Cl)ccc1Cl	762818511	LYYQNGOOGKDKDD-VQHVLOKHSA-N	287.190	4.183	50	20	CIGD	
C=CCSc1ccccc1C(=O)NNc1ccc(C)cc1	777115745	FUBAPSMTZJIPBC-UHFFFAOYSA-N	298.411	4.030	50	20	CIGD	
O=C(CCC1CCCCC1)NNc1ccc2ccccc2n1	777463600	ZVAWGFWLHPXICQ-UHFFFAOYSA-N	297.402	4.038	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	790220746	WNJYMLCGISTGPQ-FMNVXAMXSA-N	297.398	4.388	50	20	CIGD	
O=C(Cl)c1cc(Cl)cc(SCC(F)(F)F)c1	1898227430	NURDHQMRJMHFRA-UHFFFAOYSA-N	289.105	4.373	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)c(F)c1	44028423	RLKOWSSXDRZFRW-WDZFZDKYSA-N	289.306	4.125	50	20	CIGD	
N#CC(C#N)=CNc1cccc(CSC2CCCC2)c1	150836016	LWZMTKLMFVHVQH-UHFFFAOYSA-N	283.400	4.205	50	20	CIGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccccc1	727252113	QLURNBOSGDNZRE-CQSZACIVSA-N	272.392	4.009	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741845524	ZGBSXCQHSOXUMI-XYOKQWHBSA-N	271.291	4.094	50	20	CIGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(Cl)cs1	779799754	UFDHUSMQMFKKMJ-XFFZJAGNSA-N	296.823	4.005	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCC2)c(C)n1CC(C)C	781554407	OQXNLUDUPXOCMU-ZDLGFXPLSA-N	298.430	4.427	50	20	CIGD	
C[C@H]1CC[C@@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	800812119	VQTRGRCUQZKCMF-VHSXEESVSA-N	299.201	4.145	50	20	CIGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1	806398423	HETDXZSOMRBVST-DJIMGWMZSA-N	286.419	4.045	50	20	CIGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1c(C)cccc1C(C)C	812766637	LGMHAVQNFNPNCC-OCCSQVGLSA-N	276.424	4.244	50	20	CIGD	
CCCCC[C@H](CC)C(=O)NNc1ccc(OCC)cc1	817899006	DFSFSRWNPTYVGV-AWEZNQCLSA-N	292.423	4.135	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)Nc2ccccc2Cl)c1	915878212	QSWBNZZPGJQVAM-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CC[C@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1Cl	916360183	JVHQUCVEGBSWEJ-QMMMGPOBSA-N	287.190	4.145	50	20	CIGD	
C[C@@H](c1ccco1)N(C(=O)C1CCC(Cl)CC1)C1CC1	1346304847	HNGFAOCGKAKQTH-HIFPTAJRSA-N	295.810	4.129	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	133072043	FCJGJSMVGUXVNH-UKTHLTGXSA-N	291.306	4.433	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc(F)cc2F)sc1C	741473978	LNLPDPLPRGDRSE-VZUCSPMQSA-N	276.311	4.102	50	20	CIGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)C1CCCCC1	767735198	ACJUWPMOFZLAEZ-LFIBNONCSA-N	283.371	4.060	50	20	CIGD	
Cc1ccc(NNC(=O)CCCC2CCCCC2)cc1	912594212	OSWOFBRRNHFVCH-UHFFFAOYSA-N	274.408	4.189	50	20	CIGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	915992359	YLGVSMHOJSPKMZ-FOWTUZBSSA-N	285.387	4.388	50	20	CIGD	
Cc1ccccc1[C@H](CBr)OCC(F)(F)F	50481838	XLOVWZFMGBHLLH-JTQLQIEISA-N	297.114	4.010	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1ccsc1	193745964	PVMFTKLCRFBGQX-JYRVWZFOSA-N	279.320	4.284	50	20	CIGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1	732715918	CNMYFTXATQEGFV-ATVHPVEESA-N	296.414	4.002	50	20	CIGD	
CCCCCC(C)(C)C(=O)NNc1cccc(C)c1	753327095	IDBSBPZEGAPBSP-UHFFFAOYSA-N	262.397	4.045	50	20	CIGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccoc2)ccc1Cl	806556755	FZDUVRIZJZNMLF-NTUHNPAUSA-N	271.703	4.031	50	20	CIGD	
CC(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1	812244526	DDKAUYSQIRCBAR-OQLLNIDSSA-N	293.326	4.177	50	20	CIGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(OCC)cc1	817911976	XSBAEJZKPBIGBE-AWEZNQCLSA-N	292.423	4.135	50	20	CIGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)cnc1F	899344214	NTGFKRARWVBQGY-LFYBBSHMSA-N	287.363	4.173	50	20	CIGD	
CC(C)Cc1nnc(CCCC[C@H]2CCSS2)o1	1256438274	MLSRUOWTTLWUAV-NSHDSACASA-N	286.466	4.135	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	733206443	KAERXWFBIWJAIJ-VKRGWIQLSA-N	299.267	4.367	50	20	CIGD	
CC[C@@H](C)Sc1ccc(NC=C(C#N)C#N)c(C)c1	748208333	PELTVEGKZIXTEF-GFCCVEGCSA-N	271.389	4.229	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794876007	ZSBPKOQUCDLBGW-XNFYSYIQSA-N	263.287	4.146	50	20	CIGD	
O=C(NNc1cccc(F)c1)c1ccc(C2CCCC2)cc1	810681936	PPQPHOSRVGFVSL-UHFFFAOYSA-N	298.361	4.240	50	20	CIGD	
N#C/C(=C\c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1	812246357	JWBFRNTUKWDRDW-YRNVUSSQSA-N	292.235	4.304	50	20	CIGD	
CSc1ccc(/C=C(\C#N)C(=O)C2CCCC2)s1	840721339	SKGZUWVLSVEWQV-DHZHZOJOSA-N	277.414	4.136	50	20	CIGD	
CN(CC(Cl)Cl)C(=O)c1ccc(C2=CCCC2)cc1	848083319	UJXVVSWVBKPMRZ-UHFFFAOYSA-N	298.213	4.130	50	20	CIGD	
N#C/C(=C/c1ccccc1F)c1nc(C2CC2)cs1	864287437	YCZWVKFEWLBLRP-GHXNOFRVSA-N	270.332	4.224	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	921268884	FWDPPXJNFBSDPA-IZZDOVSWSA-N	279.742	4.391	50	20	CIGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	8120721	GBHGSCOLBVNXPL-GXDHUFHOSA-N	297.379	4.274	50	20	CIGD	
O=C(CCCC[C@H]1CCSS1)N1CCCCCC1	101614354	IVLVDRNTZHNERU-ZDUSSCGKSA-N	287.494	4.103	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2cccc(OC(C)C)c2)n1	221648444	ORZPQZHYBVRLDE-VGOFMYFVSA-N	284.384	4.303	50	20	CIGD	
N#C/C(=C/c1cccc(O)c1)c1nc2cc(F)ccc2s1	730151099	QXRKWAWQZVHEHU-WDZFZDKYSA-N	296.326	4.205	50	20	CIGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)c1ccccc1	760209442	BMIJGSWXFJJDRP-NTEUORMPSA-N	294.379	4.200	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1Cl	766291346	YCBLITGDGXJKTN-ZSOIEALJSA-N	273.763	4.315	50	20	CIGD	
COc1cccc2cc(/C=C(/C#N)C(=O)C3CCCC3)oc12	781556222	VNMHHZQBEOZTTR-UVTDQMKNSA-N	295.338	4.108	50	20	CIGD	
CC(C)(C)CC(=NNC(=O)c1c[nH]c2ccccc12)C1CC1	787147287	FGXVABUYWFSJPP-UHFFFAOYSA-N	297.402	4.100	50	20	CIGD	
O=C(NN=C1CCC12CCCC2)c1ccc2ccccc2c1	788714368	HNQIBCPMUQKGKA-UHFFFAOYSA-N	292.382	4.280	50	20	CIGD	
N#C/C(=C\c1csc(C(F)(F)F)c1)C(=O)C1CCCC1	863189332	IXQMAFKNUXGMAF-VZUCSPMQSA-N	299.317	4.433	50	20	CIGD	
Cc1ccccc1NNC(=O)CCCC1CCCCC1	865481468	YNDMEZXBOPLRET-UHFFFAOYSA-N	274.408	4.189	50	20	CIGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)CCCO3)sc1C	899360766	PALGLPZIHOJNRS-OQLLNIDSSA-N	296.395	4.149	50	20	CIGD	
CCCCc1ccc(CC(=O)NNc2cccc(C)c2)cc1	216667716	ZULMQBACYCXSQZ-UHFFFAOYSA-N	296.414	4.023	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2scnc2C)cc1	255317954	VULSTSUTBPLFNF-OQLLNIDSSA-N	296.395	4.194	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(C)c2)s1	255504994	ICKSAVSSHTVBJU-MDWZMJQESA-N	285.343	4.294	50	20	CIGD	
CC(C)Cn1nc(-c2ccsc2)cc1CCl	409443327	LGUBGSFJJABFLH-UHFFFAOYSA-N	254.786	4.006	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)C1CCCCC1	780006354	ZRXIMBHNDVGQEB-IZZDOVSWSA-N	279.792	4.458	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccccc2C)c1	918713947	PNYKYOAWAHTMON-WQRHYEAKSA-N	275.351	4.402	50	20	CIGD	
Cc1ccc([C@@H](C)NC(=O)C2CCC(Cl)CC2)s1	1123510294	QRZZZSPSQIGQJW-VOMCLLRMSA-N	285.840	4.031	50	20	CIGD	
Fc1ccccc1[C@H](CBr)OC1CCCC1	50480421	BECTXIZDHNEEHC-ZDUSSCGKSA-N	287.172	4.221	50	20	CIGD	
CC(C)c1ccsc1C(=O)NNc1ccc(Cl)cc1	120191406	GOSMRGBFQHLLHI-UHFFFAOYSA-N	294.807	4.282	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc(OC(C)C)cc2)n1	193863494	QHLBGFKITRQUIS-RIYZIHGNSA-N	284.384	4.303	50	20	CIGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)C2CCCCC2)s1	767715388	VFFGOAOCYWEVSV-MDWZMJQESA-N	288.416	4.323	50	20	CIGD	
Cc1cccc(C)c1NC(=O)NNc1ccccc1Cl	769926522	PORUXCLTZYLHBS-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCCC2)ccc1C	772171454	IIAZCDVYILARCW-YBEGLDIGSA-N	283.371	4.060	50	20	CIGD	
CCCN(Cc1ccccc1O)/C(=C/C#N)c1ccccc1	772797632	HJOCDZAPZFRRMP-LDADJPATSA-N	292.382	4.169	50	20	CIGD	
COc1ccsc1C(=O)/C=C\c1cccc(CCl)c1	799892024	JEIVBBRCBYGEDN-WAYWQWQTSA-N	292.787	4.392	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(F)c2F)cc1C	809145800	GIKSIPGQMFLRRC-DHDCSXOGSA-N	297.304	4.372	50	20	CIGD	
C[C@@H](NC=C(C#N)C#N)c1ccccc1Oc1ccccc1	158520453	LOHFEYINSYVHCL-CQSZACIVSA-N	289.338	4.061	50	20	CIGD	
BrCc1c(-c2ccoc2)n[nH]c1C1CCCC1	409444003	YGEPHUZDRQSUDY-UHFFFAOYSA-N	295.180	4.222	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc(C)c(C)s1	777917530	BIUWOEAYWYHANB-MLPAPPSSSA-N	272.348	4.272	50	20	CIGD	
CCC(C)(CC)C(=O)NNc1c(C)cccc1C(C)C	812770450	QGHHQGTYCLKTLQ-UHFFFAOYSA-N	276.424	4.388	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	44028413	YPRHJXQURJRBOG-ZSOIEALJSA-N	297.379	4.169	50	20	CIGD	
COc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)s1	177899632	RXONVOPMUWAMOZ-UXBLZVDNSA-N	290.413	4.401	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	207894431	JVZZLTWWAQAJAV-GDNBJRDFSA-N	286.334	4.266	50	20	CIGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2)c1	209632011	NZCPKACTIADBNE-ATVHPVEESA-N	289.334	4.041	50	20	CIGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	747754102	YYWFUVRFRRNIFU-KRWDZBQOSA-N	294.398	4.382	50	20	CIGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)c1ccccn1	753682120	CIFOODUWWUYUJT-XFFZJAGNSA-N	275.138	4.453	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(Cl)cs1	780004994	QJZRWFGPOQZVHA-RUDMXATFSA-N	267.781	4.314	50	20	CIGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc(F)cc1	799888223	BRGKHPFHGVQBRL-WTKPLQERSA-N	274.722	4.461	50	20	CIGD	
N#C/C(=C/c1ccccc1)c1cc(C(F)(F)F)ccn1	812248847	RZVKPOYTWSKFSN-WQLSENKSSA-N	274.245	4.165	50	20	CIGD	
O=C(NN=C1CC(c2ccccc2)C1)c1cccc(Cl)c1	814732683	SWKFLTONQCGSNU-UHFFFAOYSA-N	298.773	4.003	50	20	CIGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(Cl)cc1Cl	819410354	QFYVYTHWTWQTJB-UHFFFAOYSA-N	287.190	4.039	50	20	CIGD	
CC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)CC1	210921095	ZBLQIIBCBMQEOS-JTQLQIEISA-N	277.278	4.449	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)C1CCCCC1	767713582	LAFZWVIEMTUEHA-MDWZMJQESA-N	275.298	4.021	50	20	CIGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(C(C)(C)C)cc1	785628912	NVWILYOWWZUZID-QGZVFWFLSA-N	274.408	4.030	50	20	CIGD	
CCCc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)s1	856720305	GXJLFBBAFLAURV-LUAWRHEFSA-N	261.390	4.223	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)NCC1(C2CC2)CC1	160076956	BAMHRLXECKFWHJ-CYBMUJFWSA-N	299.505	4.007	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	255569958	GZSADIQIBWSHMH-VZUCSPMQSA-N	281.277	4.016	50	20	CIGD	
CCC(CC)CNC(=O)CCCC[C@H]1CCSS1	729432289	BJHYXBRWMZBFOV-ZDUSSCGKSA-N	289.510	4.253	50	20	CIGD	
Cc1cccc(NNC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1	731784319	KMFNITADPXJMJW-GJZGRUSLSA-N	288.435	4.291	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)CCCC2CCCC2)c1	748419788	MJPDJTGERGYWFX-UHFFFAOYSA-N	274.408	4.107	50	20	CIGD	
CN(N=Cc1cc2ccccc2s1)C(=O)OC(C)(C)C	758375741	YUIDRZAOMOERHW-UHFFFAOYSA-N	290.388	4.102	50	20	CIGD	
CC1(C)CC(=NNC(=O)c2ccccc2)CC(C)(C)C1	779752245	KHQQTUPSKDGFMC-UHFFFAOYSA-N	272.392	4.009	50	20	CIGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)o1	834750399	BWCJEMLKBWZWIX-SPILEWSZSA-N	299.370	4.186	50	20	CIGD	
CN(C)c1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917146026	GHKZAGSVQURIJT-LGMDPLHJSA-N	299.377	4.365	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1C	741474962	UOMFKZWQTGOXLV-DWKHYPNZSA-N	255.361	4.216	50	20	CIGD	
CN(CCc1ccccc1F)/C(=C\C#N)c1ccc(F)cc1	750802525	ZNBXODOGSLVRFE-ZDLGFXPLSA-N	298.336	4.004	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)[C@@H]1C	781122783	NEUCGMZLIOHUAR-ZIAGYGMSSA-N	294.398	4.382	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccccc1C1CC1	794875700	XNYCCVBUCKBLHO-RVDMUPIBSA-N	267.372	4.476	50	20	CIGD	
CCCn1cccc1/C=C(/C#N)c1nc(C2CC2)cs1	843266517	WUFGXWUYZISQHA-LCYFTJDESA-N	283.400	4.296	50	20	CIGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1ccccc1F	1252221319	AACDZBDDXQUJCS-WJDWOHSUSA-N	291.325	4.104	50	20	CIGD	
BrCC1(OCC2CCCCC2)CCCC1	52147192	AEJZZRDNAITMRQ-UHFFFAOYSA-N	275.230	4.291	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)o1	179607480	VJRFXPAIFZMXRQ-UXBLZVDNSA-N	289.693	4.170	50	20	CIGD	
Cc1cccc(NNC(=O)c2ccc(C3CCC3)cc2)c1	192003049	APXXKRUPXVUNAV-UHFFFAOYSA-N	280.371	4.019	50	20	CIGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C(CC)CC)cc1	726118726	PQNBUVOPPMQAAL-FOWTUZBSSA-N	285.387	4.388	50	20	CIGD	
CC(C)c1cccc(NC(=O)NNc2ccccc2F)c1	758188549	IAERFOWGMITGPJ-UHFFFAOYSA-N	287.338	4.098	50	20	CIGD	
C=C[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	787682121	VUSKFURCWCOSQU-KBPBESRZSA-N	299.505	4.268	50	20	CIGD	
N#C/C(=C/c1ccsc1Cl)C(=O)C1CCCCC1	790100694	SEBPLSJERYAZOD-WQLSENKSSA-N	279.792	4.458	50	20	CIGD	
CC[C@H](C)[C@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	912596246	FEWDWOAGEBFZFO-YJBOKZPZSA-N	296.414	4.268	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1	917517812	SQTPBBKMPMIYNR-WZUFQYTHSA-N	298.169	4.244	50	20	CIGD	
Cc1ccccc1/C=C(/C#N)c1cnc2ccccc2n1	588580702	OTTGFGYORQMFRI-GDNBJRDFSA-N	271.323	4.002	50	20	CIGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)CC(C)(C)C	728431196	NXRRSIJWWWXREC-LGGNJMSXSA-N	264.413	4.217	50	20	CIGD	
CCCn1cccc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735669406	LUEVOXDPZSIHIM-SDNWHVSQSA-N	290.370	4.147	50	20	CIGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	742349874	VSCLBKUZJPLZMZ-WQLSENKSSA-N	271.703	4.031	50	20	CIGD	
Cc1cccc(NC(=O)NNc2cccc3c2CCCC3)c1	747825232	YNPHLHQQUSKZBF-UHFFFAOYSA-N	295.386	4.022	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1C	767351686	IPNSLZQUBJRDOG-AAIQCTMTSA-N	261.752	4.171	50	20	CIGD	
CC[C@@](C)(NCCO[Si](C)(C)C(C)(C)C)C(F)(F)F	808737021	HVLPRQOQISRWQA-GFCCVEGCSA-N	299.453	4.329	50	20	CIGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1	824221199	KZMVXRNBSPXSEF-ZWKOTPCHSA-N	294.398	4.022	50	20	CIGD	
COc1cccc(C)c1/C=C(/C#N)c1nc(C)c(C)s1	834425487	VFDMBTSLNJBNAR-JYRVWZFOSA-N	284.384	4.141	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1csc(Br)c1	263714481	WYZSHMODSJEKBH-OPWUTIMJSA-N	298.205	4.033	50	20	CIGD	
C[C@@H](CCC1CCCCC1)NC(=O)NNc1ccccc1	734677265	NXOMYZMPUSSVQU-AWEZNQCLSA-N	289.423	4.062	50	20	CIGD	
CC(CCCC(C)C)=NNC(=O)c1cccc(Cl)c1	764666265	KDGPTHSSRNEIAQ-UHFFFAOYSA-N	280.799	4.272	50	20	CIGD	
Cc1csc(/C(C#N)=C/c2ccc3ncccc3c2)n1	917042418	BVSSUDJPIPDEMU-RIYZIHGNSA-N	277.352	4.064	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(SC)cc1	125488426	DYVRNMNJGBTEMI-XTCQQWIJSA-N	273.401	4.321	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(C#N)cs2)c1C	176844284	NMMSTKKRVREPCW-AUWJEWJLSA-N	292.363	4.027	50	20	CIGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)c1ccsc1	255623516	XUPIJBPMXLCURV-WZUFQYTHSA-N	291.734	4.330	50	20	CIGD	
CCC(=O)NN=Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1	743422082	PVOSOLPLAHDWEZ-UHFFFAOYSA-N	298.386	4.104	50	20	CIGD	
CC(C)=CCCC(C)=NNC(=O)c1ccc(Cl)cc1F	749163868	AQESEPSUNVPHSC-UHFFFAOYSA-N	296.773	4.331	50	20	CIGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCCCC#N)C1	844336574	MAMVKOLVLBTTDW-HNNXBMFYSA-N	296.531	4.166	50	20	CIGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)c(C)c1	849178224	CMKXRZOYSXLYSX-UVTDQMKNSA-N	289.350	4.008	50	20	CIGD	
CC(C)N(Cc1ccco1)C(=O)c1cccc(CCl)c1	1335740857	DPVMHVGWOSDTFG-UHFFFAOYSA-N	291.778	4.069	50	20	CIGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(C)cc1	749203691	XQKWAKUMBCMOCW-CQSZACIVSA-N	262.397	4.045	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)C(=O)C1CCCCC1	767714088	OHACEUVFRZQAGV-UKTHLTGXSA-N	259.374	4.113	50	20	CIGD	
CCCOc1cccc(/C=C(\C#N)C(=O)C2CCCC2)c1	781553930	ZUWXOVXDAFNEOA-LFIBNONCSA-N	283.371	4.142	50	20	CIGD	
C=CCC(CC=C)C(=O)NNc1ccc(C(C)C)cc1	837054775	VZTURDINBINRHP-UHFFFAOYSA-N	272.392	4.022	50	20	CIGD	
Cc1ccc(C(=O)N(C)CC(Cl)Cl)c2ccccc12	848083826	PXNHNWSPRSIFFF-UHFFFAOYSA-N	296.197	4.024	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1	125486377	VNQZZSACCCUQGO-LFTLCWSBSA-N	291.778	4.261	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	171019875	NTPLSFCBQSUQOJ-LGMDPLHJSA-N	296.414	4.199	50	20	CIGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1C	194529542	HVBMHYNJURFPFJ-CXUHLZMHSA-N	296.345	4.054	50	20	CIGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)c1ccccn1	747691409	VMYSTOWGVNTGCP-GHRIWEEISA-N	283.334	4.208	50	20	CIGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)CCC(C)(C)C)c1	755563186	OQWBWZFWVBBJIL-CQSZACIVSA-N	276.424	4.209	50	20	CIGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)o1	760212706	ZSFDBUGRQHWEHP-XNTDXEJSSA-N	279.339	4.249	50	20	CIGD	
FC(F)(F)c1cccc([C@H]2OCCC[C@@H]2CCl)c1	92889337	KDGIUQQGEBSGPA-ZYHUDNBSSA-N	278.701	4.412	50	20	CIGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)c1nc2ccccc2[nH]1	179171671	GEYCIBOWJJWWAV-YRNVUSSQSA-N	297.720	4.420	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2sccc2C)cc1	184840981	NCYJSPOAMMVJET-NTEUORMPSA-N	267.353	4.155	50	20	CIGD	
Cc1ccc(C)c(NNC(=O)c2csc3ccccc23)c1	194387112	SICLUOWRXSOCAU-UHFFFAOYSA-N	296.395	4.275	50	20	CIGD	
N#C/C(=C\c1sccc1Cl)c1cnc2ccccc2n1	195340499	WKCDPLNCUFFTEO-JXMROGBWSA-N	297.770	4.409	50	20	CIGD	
Cc1ccccc1CN(C)/C(=C\C#N)c1ccc(F)cc1	750600502	YWARHTZJOZJPPK-WQRHYEAKSA-N	280.346	4.131	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccccc1	812316751	NUPSKKINEOJYPV-UHFFFAOYSA-N	283.375	4.267	50	20	CIGD	
CCCCCCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1	137333688	BHPTXUSQDRFHQA-UHFFFAOYSA-N	294.351	4.044	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C/c1cnc(C2CCC2)s1	155195233	KSLATEGABRKWOM-KPKJPENVSA-N	298.367	4.102	50	20	CIGD	
C[C@H]1C[C@@H](OC(C)(C)CBr)CC(C)(C)C1	158270322	QJBCCFKPSXYNRV-WDEREUQCSA-N	277.246	4.391	50	20	CIGD	
CC[C@H](C)[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	249757503	DXXXURAFFKOWCK-XQQFMLRXSA-N	289.510	4.251	50	20	CIGD	
C[C@@H]1CCCC(=NNC(=O)c2c(Cl)cccc2Cl)C1	727781893	ZKRRFMHCIPOLMN-SECBINFHSA-N	299.201	4.289	50	20	CIGD	
CCC(C)(C)N(C)C(=O)CCCC[C@@H]1CCSS1	736206084	CZDZJLFPBIYFEJ-GFCCVEGCSA-N	289.510	4.348	50	20	CIGD	
CC(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1Cl	753682202	DXFRLNKSIOORCZ-YHYXMXQVSA-N	268.143	4.125	50	20	CIGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1ccccc1	753923102	YFVRPLUBFMNBJO-UHFFFAOYSA-N	298.773	4.003	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761384300	GLVMFGLDYLKRMG-WSQKDGNHSA-N	287.306	4.289	50	20	CIGD	
CC(C)(CCCCCl)c1nc(O)c2cc(F)ccc2n1	766290244	UJWXLCALIYUUAZ-UHFFFAOYSA-N	296.773	4.161	50	20	CIGD	
Cc1ncccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797399082	OCMUFXOAOQTZTD-JYRVWZFOSA-N	283.400	4.208	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C2CC2)cc1	840716547	YJSFRMZNWVONOP-GDNBJRDFSA-N	253.345	4.086	50	20	CIGD	
Br[C@@H]1CCCCCC[C@H]1OC1CCC1	158376814	DGAPYEUKWLUPQW-VXGBXAGGSA-N	261.203	4.042	50	20	CIGD	
CC(C)[C@](C)(CBr)COCc1ccccc1	230090913	YAUHLKQQOLMDDT-CQSZACIVSA-N	285.225	4.260	50	20	CIGD	
CCCC(=NNC(=O)C1CCCC1)C1CCCCC1	727778292	BFPFOMOZONGVDP-UHFFFAOYSA-N	264.413	4.029	50	20	CIGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791739446	OQSFUPBSMBKDKR-BDAKNGLRSA-N	289.206	4.119	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2cccc(OC)c2o1	794874288	KJNOYLJIBPYODZ-JLHYYAGUSA-N	297.354	4.354	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2cc(OC)ccc2o1	794877204	IZUIJNXNBUUJOH-JLHYYAGUSA-N	297.354	4.354	50	20	CIGD	
N#C/C(=C/c1csc(C2CC2)n1)c1nc(C2CC2)cs1	843263762	FDJOQCQGNIVDEU-WZUFQYTHSA-N	299.424	4.419	50	20	CIGD	
CCSCC[C@H](C)N(C)C(=O)c1cccc(CCl)c1	1262612095	RPISTMNFLIJRFJ-LBPRGKRZSA-N	299.867	4.029	50	20	CIGD	
CCCCOC(=O)/C(C#N)=C/c1cccc2ccccc12	7208208	ONSFYSPWJCRFTQ-FOWTUZBSSA-N	279.339	4.090	50	20	CIGD	
N#C/C(=C\c1cccs1)c1nc(-c2ccncc2)cs1	48986262	LESVRRXXOHVHTJ-XYOKQWHBSA-N	295.392	4.331	50	20	CIGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1F	171764965	SQQGBSWVZFDAER-RIYZIHGNSA-N	283.277	4.063	50	20	CIGD	
Cc1ccc(NNC(=O)CCCCCC(C)C)cc1	749203278	WQABAVYHYTZVBG-UHFFFAOYSA-N	262.397	4.045	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	767714522	QPLDHQHVWDKFRW-ZWSXMNCCSA-N	288.416	4.323	50	20	CIGD	
CCC(CC)(CC)C(=O)NNc1c(F)cccc1Cl	770197988	YBUFVPBJRXNLJZ-UHFFFAOYSA-N	286.778	4.139	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC)cc1Cl	794875737	YNCIXYLJFOJEJN-WQLSENKSSA-N	291.778	4.261	50	20	CIGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c2ccccc12	44013407	MUSQLZVJKQIRQX-SDNWHVSQSA-N	293.366	4.371	50	20	CIGD	
CCC[C@](C)(CBr)COCc1ccccc1	230090517	YSVKDZFNXKUYNV-CQSZACIVSA-N	285.225	4.405	50	20	CIGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cccs1	254445771	CAFXEPQMHNKEOB-UHFFFAOYSA-N	294.379	4.055	50	20	CIGD	
C=CC[C@H](C)C(C)=NNC(=O)c1cccc2ccccc12	741465842	WNVZWEUIADCFML-ZDUSSCGKSA-N	280.371	4.158	50	20	CIGD	
CCCC1(C(=O)NNc2ccc(Cl)cc2Cl)CC1	748008725	VBTAGRBGMLYVLK-UHFFFAOYSA-N	287.190	4.017	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761386215	OJMFJNPMWPLMHY-RMKNXTFCSA-N	287.306	4.289	50	20	CIGD	
Cc1cc(C)cc(NC(=O)NNc2ccccc2Cl)c1	769922913	NOIAWXRZDYPNAN-UHFFFAOYSA-N	289.766	4.105	50	20	CIGD	
CCCC(CC)=NNC(=O)c1cccc2ccccc12	776185919	IBFRCCNRKMIFFA-UHFFFAOYSA-N	268.360	4.136	50	20	CIGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)C1CC1	855860629	XMOXIIJAIUFEHS-STQMWFEESA-N	287.494	4.005	50	20	CIGD	
CCCC(CCC)=NNC(=O)c1ccc(Cl)cc1	5456024	VTGDEEPFWFYHMA-UHFFFAOYSA-N	266.772	4.026	50	20	CIGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)c1ccccn1	76106266	RLPBYAVOYIFGOM-WQLSENKSSA-N	290.244	4.044	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	255633125	YXPOCJAUEABPOR-JYRVWZFOSA-N	288.416	4.323	50	20	CIGD	
CCC(C=NNC(=O)c1c(Cl)cccc1Cl)CC	727781759	WILSMBCDJUIDTA-UHFFFAOYSA-N	287.190	4.145	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C)c(C)c1	741468243	DNPSQGVICZQNOL-YDRQLGOLSA-N	255.361	4.216	50	20	CIGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)C1CCCC1	781555727	OQUWHFURSGMFJB-KPKJPENVSA-N	277.726	4.145	50	20	CIGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	1317935121	MKIDRXRVJNATKQ-VBKFSLOCSA-N	296.414	4.199	50	20	CIGD	
C[C@@H](CBr)CN[C@H](C)c1ccccc1Cl	133928318	YONKJJSNNMXDDQ-VHSXEESVSA-N	290.632	4.022	50	20	CIGD	
FC(F)(F)CO[C@H]1CCCCCC[C@@H]1Br	158359574	NIQLDUDIXVZUQF-IUCAKERBSA-N	289.135	4.052	50	20	CIGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(F)c1F	170963989	RTDLOKVXFGDDSB-YRNVUSSQSA-N	289.306	4.125	50	20	CIGD	
COc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	176919442	LZWMLMOLKSBCRL-NTUHNPAUSA-N	284.384	4.339	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C/c1csc(Br)c1	263699639	MVEJOTBHOBGGJI-ONNFQVAWSA-N	298.205	4.033	50	20	CIGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2occc2C)cc1	742349531	GJNLTVFEYSGPDO-LFIBNONCSA-N	279.339	4.330	50	20	CIGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)C1CCCCC1	755407503	WOJXQHFZQSADCP-AWNIVKPZSA-N	275.298	4.021	50	20	CIGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccc(Cl)cc1F	807975273	MOVUAJKDYDNRCT-SNVBAGLBSA-N	298.789	4.411	50	20	CIGD	
CCc1ccc(C(=O)NN=C2CCCCCCC2)cc1	8407567	UFKPRYWRCMOIKL-UHFFFAOYSA-N	272.392	4.079	50	20	CIGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccsc1	135354293	PPBYFVLWWIEZFQ-LLVKDONJSA-N	287.475	4.401	50	20	CIGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)c1ccco1	212645907	NXBIPAHQNZKYFL-POHAHGRESA-N	292.121	4.376	50	20	CIGD	
Cc1cc2cc(/C=C(\C#N)C(=O)C(C)C)oc2cc1C	255311127	WSXFYEXISYZVDU-RIYZIHGNSA-N	267.328	4.182	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)c1ccoc1C	588476723	ATUBNZYBYNCSCO-JYRVWZFOSA-N	285.730	4.340	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	588542609	CUZMVUNNKQXHOT-POHAHGRESA-N	265.715	4.001	50	20	CIGD	
CCCCCC(CCCCC)=NNC(=O)c1cccn1C	743434120	SERQLGPAHICDGT-UHFFFAOYSA-N	291.439	4.272	50	20	CIGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)c1ccccc1	767340821	IGKMJTLVMQOWIP-XNTDXEJSSA-N	281.742	4.438	50	20	CIGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)C(C)(C)C	776188499	UIJCYERJCBDXIY-WQLSENKSSA-N	275.779	4.479	50	20	CIGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(Cl)cc1Cl	780991195	DDFAELWMMRWATC-HJWRWDBZSA-N	287.190	4.183	50	20	CIGD	
C=C(CBr)CN1CCC[C@H]1c1cccc(C)c1	791450834	YCSQZAQZHWZTDW-HNNXBMFYSA-N	294.236	4.083	50	20	CIGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2ccccc2o1	794875421	VRNCQJQYAMQLIL-RAXLEYEMSA-N	267.328	4.345	50	20	CIGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1c[nH]c2ccccc12	797399116	ZUZOTRZEOIHEOL-OLZOCXBDSA-N	297.402	4.100	50	20	CIGD	
CCC(=NNC(=O)c1ccc2ccccc2c1)C1CCC1	834941659	JHFVYCVCCATAGX-UHFFFAOYSA-N	280.371	4.136	50	20	CIGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc2cnccc2c1	1343927821	PRGABZSOXZATQQ-WOJGMQOQSA-N	298.345	4.333	50	20	CIGD	
Cc1cccc(Oc2ccccc2NC=C(C#N)C#N)c1	15241321	RZLQPMNFNRNNBW-UHFFFAOYSA-N	275.311	4.130	50	20	CIGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741842998	WQEOLUJLZDQKHM-KWJWQAOWSA-N	285.318	4.484	50	20	CIGD	
Cc1cccc(NNC(=O)C(C)(C)C2CCCCC2)c1	767147884	LKKQQUHACDUHMI-UHFFFAOYSA-N	274.408	4.045	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(F)cc2F)c1	918714389	ULCQJNIVFFAFEB-NVNXTCNLSA-N	297.304	4.372	50	20	CIGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C)cc2C)c1	7211342	TUPBRVHGBKMOCB-LICLKQGHSA-N	291.350	4.102	50	20	CIGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccnc2Cl)c1C	171542012	NTQIVJCTTIBBOC-NTEUORMPSA-N	296.757	4.142	50	20	CIGD	
Cc1ccsc1/C=C(\C#N)c1cnc2ccccc2n1	191361146	QTYIJFHMYIERSM-XYOKQWHBSA-N	277.352	4.064	50	20	CIGD	
Cc1ccc(F)cc1/C=C(/C#N)c1cnc2ccccc2n1	588580522	IZUAWKGELVMMIG-ZSOIEALJSA-N	289.313	4.142	50	20	CIGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(F)cccc1Cl	726183971	OXQMECUAOKFDPL-DHZHZOJOSA-N	279.742	4.391	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1C1CC1	750818064	OFZSSWLENFSEMM-XBUHWIKASA-N	253.345	4.086	50	20	CIGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)OC1CCCCC1	780004153	GPGUBTCKBCRPIQ-UXBLZVDNSA-N	295.791	4.184	50	20	CIGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1ccccc1	810193284	FYQYVSQYLBQOJB-PTNGSMBKSA-N	273.291	4.223	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(OC)c1	863186424	XCWMPQLCJMXDSZ-KAQJVSAMSA-N	291.778	4.261	50	20	CIGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc2ccccc12	916267082	YTLNHYKTFNUKFO-UHFFFAOYSA-N	284.359	4.089	50	20	CIGD	
COc1c(C)ccc(NC(=O)C2CCC(Cl)CC2)c1C	1518889128	IAURAOXGHSNGCG-UHFFFAOYSA-N	295.810	4.048	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	12367934	XWGPHUOOUSUICR-KAMYIIQDSA-N	289.338	4.026	50	20	CIGD	
N#C/C(=C\c1ccccc1F)C(=O)c1c[nH]c2ccccc12	16441496	GOBAABDZPKRXTQ-UKTHLTGXSA-N	290.297	4.097	50	20	CIGD	
COC1(CBr)CCC(C(C)(C)C)CC1	50479699	IPJXISRQQLRBMF-UHFFFAOYSA-N	263.219	4.003	50	20	CIGD	
CC[C@@H](C)OC1(CBr)CCCCCC1	50480050	IBKJCACRGKKAEE-LLVKDONJSA-N	263.219	4.289	50	20	CIGD	
CCOc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1	128849570	CUNYDDIIDHCASF-VBKFSLOCSA-N	283.371	4.142	50	20	CIGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1C	588580935	VLTBTSJJEQAFBV-YBEGLDIGSA-N	285.350	4.311	50	20	CIGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1Cl)C(C)(C)C	748019006	UMIPSHUMPVCNDR-MRVPVSSYSA-N	289.206	4.119	50	20	CIGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2cccc(F)c2)c1	772173537	ZZQLTVFNARMSMG-CXUHLZMHSA-N	279.314	4.232	50	20	CIGD	
CCCN(N=C1CC[C@@H](C)C[C@@H]1C)C(=O)OC(C)(C)C	794997291	WUBQFUPUVHUNLO-OLZOCXBDSA-N	282.428	4.446	50	20	CIGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc2ccccc12	212109547	DAGXCUXSZFHBSG-PTNGSMBKSA-N	263.340	4.362	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1sccc1Br	274090960	QDSTZYAQRUVYEH-GTUWVTDSSA-N	298.205	4.033	50	20	CIGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CC12CCCC2	752810268	HROCQPBWFADAMI-JTQLQIEISA-N	299.201	4.017	50	20	CIGD	
C[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)[C@H]1C	781126364	FPYRBRDCVAOIIR-UWVGGRQHSA-N	296.773	4.021	50	20	CIGD	
CCCN(N=C(C(C)C)C1CC1)C(=O)OC(C)(C)C	794997555	YCWTYBBLGSIJCM-UHFFFAOYSA-N	268.401	4.056	50	20	CIGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)c1ccoc1	806557178	NUJUIDDDJFEWEK-BAQGIRSFSA-N	298.150	4.438	50	20	CIGD	
Cc1cc(C)c(NNC(=O)c2cccc(C3CC3)c2)c(C)c1	847600416	NGZGNTDMDYXYCL-UHFFFAOYSA-N	294.398	4.246	50	20	CIGD	
CCc1cccc(C)c1NNC(=O)c1cccc(C2CC2)c1	848035915	FEOJWDRALJTNLX-UHFFFAOYSA-N	294.398	4.192	50	20	CIGD	
N#C/C(=C\c1cnn(C2CCC2)c1)c1nc(C2CC2)cs1	899345729	SPOXGYPIIFSDPX-AWNIVKPZSA-N	296.399	4.006	50	20	CIGD	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1	916132338	ZVMLDMIDDAMTIF-WJDWOHSUSA-N	287.322	4.109	50	20	CIGD	
C[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccc1	120116383	AGGCVPAINSMBGH-CQSZACIVSA-N	296.414	4.231	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	726429824	WDRDEHKMURDXFB-VZWMTCDZSA-N	293.366	4.371	50	20	CIGD	
N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccccc2)no1	733783099	UFQZCHALYSTGJV-WTQOSJCMSA-N	299.333	4.357	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cscc2Cl)cc1	764890910	GGGAFWPFFIWHDR-WUXMJOGZSA-N	287.771	4.500	50	20	CIGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)C1CCCCC1	767739649	ZIMPRFFTCUHFQN-MDWZMJQESA-N	275.298	4.021	50	20	CIGD	
CC(C)(C)[Si](C)(C)OCCSc1ccc(C#N)cn1	840188042	CCDNHRHAPDLOJD-UHFFFAOYSA-N	294.496	4.067	50	20	CIGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863184294	JRUQBPAQOVQALM-HDPPJLHVSA-N	287.306	4.289	50	20	CIGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)s1	105570930	AXZKUAFZJUUJOP-XFFZJAGNSA-N	273.382	4.216	50	20	CIGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	178765418	WNBUWPMITIOXDH-WDZFZDKYSA-N	299.267	4.367	50	20	CIGD	
O=C(NN=C[C@H]1CC=CCC1)c1c(Cl)cccc1Cl	727781096	DMQMSOIRZXWNLB-JTQLQIEISA-N	297.185	4.065	50	20	CIGD	
CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2ccccc2)CC1	746557434	DDRMDFIZMDKMAC-OAHLLOKOSA-N	286.419	4.399	50	20	CIGD	
CCCCCCCCC(=O)NNc1cc(F)cc(OC)c1	759324500	BLDQNKAGIWRNQG-UHFFFAOYSA-N	296.386	4.028	50	20	CIGD	
Cc1ccc(C(=O)/C(C#N)=C/c2nccc3ccccc23)cc1	764892074	SAOJIJVSKBSKLF-SFQUDFHCSA-N	298.345	4.333	50	20	CIGD	
O=C1Nc2ccc(F)cc2/C1=C\c1cccc(CCl)c1	799891484	FCEITSYBXNSCAM-VGOFMYFVSA-N	287.721	4.057	50	20	CIGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)c1ccccc1	806565737	QUXAPNIYKLXXLV-FOWTUZBSSA-N	284.318	4.025	50	20	CIGD	
CC(C)CCOC(=O)CCCC[C@@H]1CCSS1	807389194	YDTKSEAFHQNOOM-GFCCVEGCSA-N	276.467	4.290	50	20	CIGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1C=CCCC1	812769627	PUPXHTMDDYZYQN-OAHLLOKOSA-N	286.419	4.308	50	20	CIGD	
N#C/C(=C/c1ccc2ncccc2c1)c1nc2ccccc2[nH]1	33620059	ZQSZGCANTMFTFJ-PTNGSMBKSA-N	296.333	4.175	50	20	CIGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(C)o1	162481270	HHPZJEQQZNOGCN-SXGWCWSVSA-N	294.354	4.059	50	20	CIGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(C#N)cs2)c1	176843515	XMCVFMFSLYCWPA-CHHVJCJISA-N	292.363	4.027	50	20	CIGD	
N#CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	187464074	CQMKCJPZJZOGOY-UHFFFAOYSA-N	286.225	4.196	50	20	CIGD	
Cc1occc1C(=O)/C(C#N)=C\c1sccc1Cl	588600624	ABVVNFVJGHCYMV-TWGQIWQCSA-N	277.732	4.093	50	20	CIGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	755602679	YVGMDFFLQMCZPJ-CEXMDJMXSA-N	279.742	4.391	50	20	CIGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)[C@@H](C)CC	767351669	HVTLMFBWLYUWSN-QXPQOBGOSA-N	285.387	4.388	50	20	CIGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C#N)cc2F)n1	772798239	UEOUCSOADLAFQA-AWNIVKPZSA-N	297.358	4.341	50	20	CIGD	
CCc1ccccc1NC(=O)NNc1cccc(Cl)c1	775449960	LTTYHWSOOYLROD-UHFFFAOYSA-N	289.766	4.051	50	20	CIGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	782196535	BKDPWBOYLASXDO-VKRGWIQLSA-N	265.715	4.001	50	20	CIGD	
CCCCCCC(=O)NNc1ccc(C)c(Cl)c1	1317787882	HKEKIAULTRKHEP-UHFFFAOYSA-N	268.788	4.062	50	20	CIGD	
CSCc1ccccc1NC(=O)C1CCC(Cl)CC1	1521322299	RZOXKNUKFNDSIY-UHFFFAOYSA-N	297.851	4.286	50	20	CIGD